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Sample records for quadratic tetrahedral elements

  1. Finite element simulation of articular contact mechanics with quadratic tetrahedral elements.

    PubMed

    Maas, Steve A; Ellis, Benjamin J; Rawlins, David S; Weiss, Jeffrey A

    2016-03-21

    Although it is easier to generate finite element discretizations with tetrahedral elements, trilinear hexahedral (HEX8) elements are more often used in simulations of articular contact mechanics. This is due to numerical shortcomings of linear tetrahedral (TET4) elements, limited availability of quadratic tetrahedron elements in combination with effective contact algorithms, and the perceived increased computational expense of quadratic finite elements. In this study we implemented both ten-node (TET10) and fifteen-node (TET15) quadratic tetrahedral elements in FEBio (www.febio.org) and compared their accuracy, robustness in terms of convergence behavior and computational cost for simulations relevant to articular contact mechanics. Suitable volume integration and surface integration rules were determined by comparing the results of several benchmark contact problems. The results demonstrated that the surface integration rule used to evaluate the contact integrals for quadratic elements affected both convergence behavior and accuracy of predicted stresses. The computational expense and robustness of both quadratic tetrahedral formulations compared favorably to the HEX8 models. Of note, the TET15 element demonstrated superior convergence behavior and lower computational cost than both the TET10 and HEX8 elements for meshes with similar numbers of degrees of freedom in the contact problems that we examined. Finally, the excellent accuracy and relative efficiency of these quadratic tetrahedral elements was illustrated by comparing their predictions with those for a HEX8 mesh for simulation of articular contact in a fully validated model of the hip. These results demonstrate that TET10 and TET15 elements provide viable alternatives to HEX8 elements for simulation of articular contact mechanics.

  2. Comparison of hexahedral and tetrahedral elements in finite element analysis of the foot and footwear.

    PubMed

    Tadepalli, Srinivas C; Erdemir, Ahmet; Cavanagh, Peter R

    2011-08-11

    Finite element analysis has been widely used in the field of foot and footwear biomechanics to determine plantar pressures as well as stresses and strains within soft tissue and footwear materials. When dealing with anatomical structures such as the foot, hexahedral mesh generation accounts for most of the model development time due to geometric complexities imposed by branching and embedded structures. Tetrahedral meshing, which can be more easily automated, has been the approach of choice to date in foot and footwear biomechanics. Here we use the nonlinear finite element program Abaqus (Simulia, Providence, RI) to examine the advantages and disadvantages of tetrahedral and hexahedral elements under compression and shear loading, material incompressibility, and frictional contact conditions, which are commonly seen in foot and footwear biomechanics. This study demonstrated that for a range of simulation conditions, hybrid hexahedral elements (Abaqus C3D8H) consistently performed well while hybrid linear tetrahedral elements (Abaqus C3D4H) performed poorly. On the other hand, enhanced quadratic tetrahedral elements with improved stress visualization (Abaqus C3D10I) performed as well as the hybrid hexahedral elements in terms of contact pressure and contact shear stress predictions. Although the enhanced quadratic tetrahedral element simulations were computationally expensive compared to hexahedral element simulations in both barefoot and footwear conditions, the enhanced quadratic tetrahedral element formulation seems to be very promising for foot and footwear applications as a result of decreased labor and expedited model development, all related to facilitated mesh generation.

  3. An 8-node tetrahedral finite element suitable for explicit transient dynamic simulations

    SciTech Connect

    Key, S.W.; Heinstein, M.W.; Stone, C.M.

    1997-12-31

    Considerable effort has been expended in perfecting the algorithmic properties of 8-node hexahedral finite elements. Today the element is well understood and performs exceptionally well when used in modeling three-dimensional explicit transient dynamic events. However, the automatic generation of all-hexahedral meshes remains an elusive achievement. The alternative of automatic generation for all-tetrahedral finite element is a notoriously poor performer, and the 10-node quadratic tetrahedral finite element while a better performer numerically is computationally expensive. To use the all-tetrahedral mesh generation extant today, the authors have explored the creation of a quality 8-node tetrahedral finite element (a four-node tetrahedral finite element enriched with four midface nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping and the element`s performance in applications are presented. In particular, they examine the 80node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element only samples constant strain states and, therefore, has 12 hourglass modes. In this regard, it bears similarities to the 8-node, mean-quadrature hexahedral finite element. Given automatic all-tetrahedral meshing, the 8-node, constant-strain tetrahedral finite element is a suitable replacement for the 8-node hexahedral finite element and handbuilt meshes.

  4. A computational study of nodal-based tetrahedral element behavior.

    SciTech Connect

    Gullerud, Arne S.

    2010-09-01

    This report explores the behavior of nodal-based tetrahedral elements on six sample problems, and compares their solution to that of a corresponding hexahedral mesh. The problems demonstrate that while certain aspects of the solution field for the nodal-based tetrahedrons provide good quality results, the pressure field tends to be of poor quality. Results appear to be strongly affected by the connectivity of the tetrahedral elements. Simulations that rely on the pressure field, such as those which use material models that are dependent on the pressure (e.g. equation-of-state models), can generate erroneous results. Remeshing can also be strongly affected by these issues. The nodal-based test elements as they currently stand need to be used with caution to ensure that their numerical deficiencies do not adversely affect critical values of interest.

  5. A Family of Uniform Strain Tetrahedral Elements and a Method for Connecting Dissimilar Finite Element Meshes

    SciTech Connect

    Dohrmann, C.R.; Heinstein, M.W.; Jung, J.; Key, S.W.

    1999-01-01

    This report documents a collection of papers on a family of uniform strain tetrahedral finite elements and their connection to different element types. Also included in the report are two papers which address the general problem of connecting dissimilar meshes in two and three dimensions. Much of the work presented here was motivated by the development of the tetrahedral element described in the report "A Suitable Low-Order, Eight-Node Tetrahedral Finite Element For Solids," by S. W. Key {ital et al.}, SAND98-0756, March 1998. Two basic issues addressed by the papers are: (1) the performance of alternative tetrahedral elements with uniform strain and enhanced uniform strain formulations, and (2) the proper connection of tetrahedral and other element types when two meshes are "tied" together to represent a single continuous domain.

  6. A finite element boundary integral formulation for radiation and scattering by cavity antennas using tetrahedral elements

    NASA Technical Reports Server (NTRS)

    Gong, J.; Volakis, J. L.; Chatterjee, A.; Jin, J. M.

    1992-01-01

    A hybrid finite element boundary integral formulation is developed using tetrahedral and/or triangular elements for discretizing the cavity and/or aperture of microstrip antenna arrays. The tetrahedral elements with edge based linear expansion functions are chosen for modeling the volume region and triangular elements are used for discretizing the aperture. The edge based expansion functions are divergenceless thus removing the requirement to introduce a penalty term and the tetrahedral elements permit greater geometrical adaptability than the rectangular bricks. The underlying theory and resulting expressions are discussed in detail together with some numerical scattering examples for comparison and demonstration.

  7. A suitable low-order, eight-node tetrahedral finite element for solids

    SciTech Connect

    Key, S.W.; Heinstein, M.S.; Stone, C.M.; Mello, F.J.; Blanford, M.L.; Budge, K.G.

    1998-03-01

    To use the all-tetrahedral mesh generation existing today, the authors have explored the creation of a computationally efficient eight-node tetrahedral finite element (a four-node tetrahedral finite element enriched with four mid-face nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping, and the element`s performance in applications are presented. In particular they examine the eight-node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element samples only constant strain states and, therefore, has 12 hour-glass modes. In this regard it bears similarities to the eight-node, mean-quadrature hexahedral finite element. Comparisons with the results obtained from the mean-quadrature eight-node hexahedral finite element and the four-node tetrahedral finite element are included. Given automatic all-tetrahedral meshing, the eight-node, constant-strain tetrahedral finite element is a suitable replacement for the eight-node hexahedral finite element in those cases where mesh generation requires an inordinate amount of user intervention and direction to obtain acceptable mesh properties.

  8. A 3D Frictional Segment-to-Segment Contact Method for Large Deformations and Quadratic Elements

    SciTech Connect

    Puso, M; Laursen, T; Solberg, J

    2004-04-01

    Node-on-segment contact is the most common form of contact used today but has many deficiencies ranging from potential locking to non-smooth behavior with large sliding. Furthermore, node-on-segment approaches are not at all applicable to higher order discretizations (e.g. quadratic elements). In a previous work, [3, 4] we developed a segment-to-segment contact approach for eight node hexahedral elements based on the mortar method that was applicable to large deformation mechanics. The approach proved extremely robust since it eliminated the over-constraint that caused 'locking' and provided smooth force variations in large sliding. Here, we extend this previous approach to treat frictional contact problems. In addition, the method is extended to 3D quadratic tetrahedrals and hexahedrals. The proposed approach is then applied to several challenging frictional contact problems that demonstrate its effectiveness.

  9. Stabilized tetrahedral elements for crystal plasticity finite element analysis overcoming volumetric locking

    NASA Astrophysics Data System (ADS)

    Cheng, Jiahao; Shahba, Ahmad; Ghosh, Somnath

    2016-05-01

    Image-based CPFE modeling involves computer generation of virtual polycrystalline microstructures from experimental data, followed by discretization into finite element meshes. Discretization is commonly accomplished using three-dimensional four-node tetrahedral or TET4 elements, which conform to the complex geometries. It has been commonly observed that TET4 elements suffer from severe volumetric locking when simulating deformation of incompressible or nearly incompressible materials. This paper develops and examines three locking-free stabilized finite element formulations in the context of crystal plasticity finite element analysis. They include a node-based uniform strain (NUS) element, a locally integrated B-bar (LIB) based element and a F-bar patch (FP) based element. All three formulations are based on the partitioning of TET4 element meshes and integrating over patches to obtain favorable incompressibility constraint ratios without adding large degrees of freedom. The results show that NUS formulation introduces unstable spurious energy modes, while the LIB and FP elements stabilize the solutions and are preferred for reliable CPFE analysis. The FP element is found to be computationally efficient over the LIB element.

  10. Tetrahedral Element Shape Optimization via the Jacobian Determinant and Condition Number

    SciTech Connect

    FREITAG,LORI A.; KNUPP,PATRICK

    1999-09-27

    We present a new shape measure for tetrahedral elements that is optimal in the sense that it gives the distance of a tetrahedron from the set of inverted elements. This measure is constructed from the condition number of the linear transformation between a unit equilateral tetrahedron and any tetrahedron with positive volume. We use this shape measure to formulate two optimization objective functions that are differentiated by their goal: the first seeks to improve the average quality of the tetrahedral mesh; the second aims to improve the worst-quality element in the mesh. Because the element condition number is not defined for tetrahedral with negative volume, these objective functions can be used only when the initial mesh is valid. Therefore, we formulate a third objective function using the determinant of the element Jacobian that is suitable for mesh untangling. We review the optimization techniques used with each objective function and present experimental results that demonstrate the effectiveness of the mesh improvement and untangling methods. We show that a combined optimization approach that uses both condition number objective functions obtains the best-quality meshes.

  11. QUADRATIC SERENDIPITY FINITE ELEMENTS ON POLYGONS USING GENERALIZED BARYCENTRIC COORDINATES.

    PubMed

    Rand, Alexander; Gillette, Andrew; Bajaj, Chandrajit

    2014-01-01

    We introduce a finite element construction for use on the class of convex, planar polygons and show it obtains a quadratic error convergence estimate. On a convex n-gon, our construction produces 2n basis functions, associated in a Lagrange-like fashion to each vertex and each edge midpoint, by transforming and combining a set of n(n + 1)/2 basis functions known to obtain quadratic convergence. The technique broadens the scope of the so-called 'serendipity' elements, previously studied only for quadrilateral and regular hexahedral meshes, by employing the theory of generalized barycentric coordinates. Uniform a priori error estimates are established over the class of convex quadrilaterals with bounded aspect ratio as well as over the class of convex planar polygons satisfying additional shape regularity conditions to exclude large interior angles and short edges. Numerical evidence is provided on a trapezoidal quadrilateral mesh, previously not amenable to serendipity constructions, and applications to adaptive meshing are discussed. PMID:25301974

  12. Quadratic Finite Element Method for 1D Deterministic Transport

    SciTech Connect

    Tolar, Jr., D R; Ferguson, J M

    2004-01-06

    In the discrete ordinates, or SN, numerical solution of the transport equation, both the spatial ({und r}) and angular ({und {Omega}}) dependences on the angular flux {psi}{und r},{und {Omega}}are modeled discretely. While significant effort has been devoted toward improving the spatial discretization of the angular flux, we focus on improving the angular discretization of {psi}{und r},{und {Omega}}. Specifically, we employ a Petrov-Galerkin quadratic finite element approximation for the differencing of the angular variable ({mu}) in developing the one-dimensional (1D) spherical geometry S{sub N} equations. We develop an algorithm that shows faster convergence with angular resolution than conventional S{sub N} algorithms.

  13. 3-D inversion of magnetotelluric data using unstructured tetrahedral elements: applicability to data affected by topography

    NASA Astrophysics Data System (ADS)

    Usui, Yoshiya

    2015-08-01

    A 3-D magnetotelluric (MT) inversion code using unstructured tetrahedral elements has been developed in order to correct the topographic effect by directly incorporating it into computational grids. The electromagnetic field and response functions get distorted at the observation sites of MT surveys because of the undulating surface topography, and without correcting this distortion, the subsurface structure can be misinterpreted. Of the two methods proposed to correct the topographic effect, the method incorporating topography explicitly in the inversion is applicable to a wider range of surveys. For forward problems, it has been shown that the finite element method using unstructured tetrahedral elements is useful for the incorporation of topography. Therefore, this paper shows the applicability of unstructured tetrahedral elements in MT inversion using the newly developed code. The inversion code is capable of using the impedance tensor, the vertical magnetic transfer function (VMTF), and the phase tensor as observational data, and it estimates the subsurface resistivity values and the distortion tensor of each observation site. The forward part of the code was verified using two test models, one incorporating topographic effect and one without, and the verifications showed that the results were almost the same as those of previous works. The developed inversion code was then applied to synthetic data from a MT survey, and was verified as being able to recover the resistivity structure as well as other inversion codes. Finally, to confirm its applicability to the data affected by topography, inversion was performed using the synthetic data of the model that included two overlapping mountains. In each of the cases using the impedance tensor, the VMTF and the phase tensor, by including the topography in the mesh, the subsurface resistivity was determined more proficiently than in the case using the flat-surface mesh. Although the locations of the anomalies were

  14. The quarter-point quadratic isoparametric element as a singular element for crack problems

    NASA Technical Reports Server (NTRS)

    Hussain, M. A.; Lorensen, W. E.; Pflegel, G.

    1976-01-01

    The quadratic isoparametric elements which embody the inverse square root singularity are used for calculating the stress intensity factors at tips of cracks. The strain singularity at a point or an edge is obtained in a simple manner by placing the mid-side nodes at quarter points in the vicinity of the crack tip or an edge. These elements are implemented in NASTRAN as dummy elements. The method eliminates the use of special crack tip elements and in addition, these elements satisfy the constant strain and rigid body modes required for convergence.

  15. Phase-Accuracy Comparisons and Improved Far-Field Estimates for 3-D Edge Elements on Tetrahedral Meshes

    NASA Astrophysics Data System (ADS)

    Monk, Peter; Parrott, Kevin

    2001-07-01

    Edge-element methods have proved very effective for 3-D electromagnetic computations and are widely used on unstructured meshes. However, the accuracy of standard edge elements can be criticised because of their low order. This paper analyses discrete dispersion relations together with numerical propagation accuracy to determine the effect of tetrahedral shape on the phase accuracy of standard 3-D edge-element approximations in comparison to other methods. Scattering computations for the sphere obtained with edge elements are compared with results obtained with vertex elements, and a new formulation of the far-field integral approximations for use with edge elements is shown to give improved cross sections over conventional formulations.

  16. Tetrahedral windmill

    SciTech Connect

    Groeger, T.O.

    1983-02-22

    A wind-adjustable air turbine consisting of: 1. A tetrahedral support structure, 2. At least one blade extending into opposite tetrahedral edges, and 3. An axis of rotation extending from the structure's center and movable into any of the edges' centers, whereby the blade's rotation and/or drag is changed.

  17. Finite-element analysis of earing using non-quadratic yield surfaces

    SciTech Connect

    Logan, R.W.

    1995-06-18

    During deep draw cupping, the phenomenon known as earing may occur as the cup wall is formed, resulting in a periodic variation of cup wall height around the perimeter of the finished cup. This is generally due to planar anisotropy of flow in rolled sheet product. It is generally observed that the anisotropy parameter R will vary in the plane of the sheet when ears are observed in cupping, with a parameter {Delta}R describing the variation of R in the plane of the sheet. For many common textures in face-centered and body-centered materials, the ears form relative to the sheet rolling direction at 0{degrees} and 90{degrees} around the perimeter if {Delta}R>0, and at -45{degrees} and +45{degrees} if {Delta}R<0. There is extensive experimental evidence that ear height shows a linear correlation with {Delta}R/R, but attempts to duplicate this using the finite-element method are highly dependent on both the methodology and yield surface used. It was shown previously that using a coarse mesh and the quadratic Hill yield surface tends to greatly under predict earing. In this study, we have used two different finite-element codes developed at LLNL to examine the predicted earing using both quadratic Hill and alternative non-quadratic yield surfaces. These results are compared to experimental data and conclusions drawn about the most desirable closed-form yield surfaces to duplicate the observed earing phenomena.

  18. Solving the transport equation with quadratic finite elements: Theory and applications

    SciTech Connect

    Ferguson, J.M.

    1997-12-31

    At the 4th Joint Conference on Computational Mathematics, the author presented a paper introducing a new quadratic finite element scheme (QFEM) for solving the transport equation. In the ensuing year the author has obtained considerable experience in the application of this method, including solution of eigenvalue problems, transmission problems, and solution of the adjoint form of the equation as well as the usual forward solution. He will present detailed results, and will also discuss other refinements of his transport codes, particularly for 3-dimensional problems on rectilinear and non-rectilinear grids.

  19. X-ray-absorption near-edge structure of 3d transition elements in tetrahedral coordination: The effect of bond-length variation

    NASA Astrophysics Data System (ADS)

    Bianconi, A.; Fritsch, E.; Calas, G.; Petiau, J.

    1985-09-01

    The x-ray-absorption near-edge structure (XANES) of transition elements in tetrahedral coordination in crystals and glasses has been studied. We have identified the XANES features in the continuum that can be assigned to multiple scattering within the first coordination shell. The energy positions Er of the XANES peaks in the continuum follow the rule (Er-Eb)d2= const, where Eb is the energy of the prepeak, defined as the first core excitation to the bound antibonding state of T2 symmetry, and d is the interatomic distance. This plot allows us to determine the tetrahedral coordination of a vanadium impurity in a SiO2 glass and to get an estimation of the vanadium-oxygen distance (1.77+/-0.05 Å).

  20. Parallel Anisotropic Tetrahedral Adaptation

    NASA Technical Reports Server (NTRS)

    Park, Michael A.; Darmofal, David L.

    2008-01-01

    An adaptive method that robustly produces high aspect ratio tetrahedra to a general 3D metric specification without introducing hybrid semi-structured regions is presented. The elemental operators and higher-level logic is described with their respective domain-decomposed parallelizations. An anisotropic tetrahedral grid adaptation scheme is demonstrated for 1000-1 stretching for a simple cube geometry. This form of adaptation is applicable to more complex domain boundaries via a cut-cell approach as demonstrated by a parallel 3D supersonic simulation of a complex fighter aircraft. To avoid the assumptions and approximations required to form a metric to specify adaptation, an approach is introduced that directly evaluates interpolation error. The grid is adapted to reduce and equidistribute this interpolation error calculation without the use of an intervening anisotropic metric. Direct interpolation error adaptation is illustrated for 1D and 3D domains.

  1. Performance of continuous mass-lumped tetrahedral elements for elastic wave propagation with and without global assembly

    NASA Astrophysics Data System (ADS)

    Mulder, W. A.; Shamasundar, R.

    2016-07-01

    We consider isotropic elastic wave propagation with continuous mass-lumped finite elements on tetrahedra with explicit time stepping. These elements require higher-order polynomials in their interior to preserve accuracy after mass lumping and are only known up to degree 3. Global assembly of the symmetric stiffness matrix is a natural approach but requires large memory. Local assembly on the fly, in the form of matrix-vector products per element at each time step, has a much smaller memory footprint. With dedicated expressions for local assembly, our code ran about 1.3 times faster for degree 2 and 1.9 times for degree 3 on a simple homogeneous test problem, using 24 cores. This is similar to the acoustic case. For a more realistic problem, the gain in efficiency was a factor 2.5 for degree 2 and 3 for degree 3. For the lowest degree, the linear element, the expressions for both the global and local assembly can be further simplified. In that case, global assembly is more efficient than local assembly. Among the three degrees, the element of degree 3 is the most efficient in terms of accuracy at a given cost.

  2. Performance of continuous mass-lumped tetrahedral elements for elastic wave propagation with and without global assembly

    NASA Astrophysics Data System (ADS)

    Mulder, W. A.; Shamasundar, R.

    2016-10-01

    We consider isotropic elastic wave propagation with continuous mass-lumped finite elements on tetrahedra with explicit time stepping. These elements require higher-order polynomials in their interior to preserve accuracy after mass lumping and are only known up to degree 3. Global assembly of the symmetric stiffness matrix is a natural approach but requires large memory. Local assembly on the fly, in the form of matrix-vector products per element at each time step, has a much smaller memory footprint. With dedicated expressions for local assembly, our code ran about 1.3 times faster for degree 2 and 1.9 times for degree 3 on a simple homogeneous test problem, using 24 cores. This is similar to the acoustic case. For a more realistic problem, the gain in efficiency was a factor 2.5 for degree 2 and 3 for degree 3. For the lowest degree, the linear element, the expressions for both the global and local assembly can be further simplified. In that case, global assembly is more efficient than local assembly. Among the three degrees, the element of degree 3 is the most efficient in terms of accuracy at a given cost.

  3. Quadratic Damping

    ERIC Educational Resources Information Center

    Fay, Temple H.

    2012-01-01

    Quadratic friction involves a discontinuous damping term in equations of motion in order that the frictional force always opposes the direction of the motion. Perhaps for this reason this topic is usually omitted from beginning texts in differential equations and physics. However, quadratic damping is more realistic than viscous damping in many…

  4. Quadratic elongation: A quantitative measure of distortion in coordination polyhedra

    USGS Publications Warehouse

    Robinson, Kelly F.; Gibbs, G.V.; Ribbe, P.H.

    1971-01-01

    Quadratic elongation and the variance of bond angles are linearly correlated for distorted octahedral and tetrahedral coordination complexes, both of which show variations in bond length and bond angle. The quadratic elonga tion is dimensionless, giving a quantitative measure of polyhedral distortion which is independent of the effective size of the polyhedron.

  5. Tetrahedral and Hexahedral Mesh Adaptation for CFD Problems

    NASA Technical Reports Server (NTRS)

    Biswas, Rupak; Strawn, Roger C.; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

    This paper presents two unstructured mesh adaptation schemes for problems in computational fluid dynamics. The procedures allow localized grid refinement and coarsening to efficiently capture aerodynamic flow features of interest. The first procedure is for purely tetrahedral grids; unfortunately, repeated anisotropic adaptation may significantly deteriorate the quality of the mesh. Hexahedral elements, on the other hand, can be subdivided anisotropically without mesh quality problems. Furthermore, hexahedral meshes yield more accurate solutions than their tetrahedral counterparts for the same number of edges. Both the tetrahedral and hexahedral mesh adaptation procedures use edge-based data structures that facilitate efficient subdivision by allowing individual edges to be marked for refinement or coarsening. However, for hexahedral adaptation, pyramids, prisms, and tetrahedra are used as buffer elements between refined and unrefined regions to eliminate hanging vertices. Computational results indicate that the hexahedral adaptation procedure is a viable alternative to adaptive tetrahedral schemes.

  6. Parallel tetrahedral mesh refinement with MOAB.

    SciTech Connect

    Thompson, David C.; Pebay, Philippe Pierre

    2008-12-01

    In this report, we present the novel functionality of parallel tetrahedral mesh refinement which we have implemented in MOAB. This report details work done to implement parallel, edge-based, tetrahedral refinement into MOAB. The theoretical basis for this work is contained in [PT04, PT05, TP06] while information on design, performance, and operation specific to MOAB are contained herein. As MOAB is intended mainly for use in pre-processing and simulation (as opposed to the post-processing bent of previous papers), the primary use case is different: rather than refining elements with non-linear basis functions, the goal is to increase the number of degrees of freedom in some region in order to more accurately represent the solution to some system of equations that cannot be solved analytically. Also, MOAB has a unique mesh representation which impacts the algorithm. This introduction contains a brief review of streaming edge-based tetrahedral refinement. The remainder of the report is broken into three sections: design and implementation, performance, and conclusions. Appendix A contains instructions for end users (simulation authors) on how to employ the refiner.

  7. Tetrahedral Order in Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Pleiner, Harald; Brand, Helmut R.

    2016-10-01

    We review the impact of tetrahedral order on the macroscopic dynamics of bent-core liquid crystals. We discuss tetrahedral order comparing with other types of orientational order, like nematic, polar nematic, polar smectic, and active polar order. In particular, we present hydrodynamic equations for phases, where only tetrahedral order exists or tetrahedral order is combined with nematic order. Among the latter, we discriminate between three cases, where the nematic director (a) orients along a fourfold, (b) along a threefold symmetry axis of the tetrahedral structure, or (c) is homogeneously uncorrelated with the tetrahedron. For the optically isotropic T d phase, which only has tetrahedral order, we focus on the coupling of flow with, e.g., temperature gradients and on the specific orientation behavior in external electric fields. For the transition to the nematic phase, electric fields lead to a temperature shift that is linear in the field strength. Electric fields induce nematic order, again linear in the field strength. If strong enough, electric fields can change the tetrahedral structure and symmetry leading to a polar phase. We briefly deal with the T phase that arises when tetrahedral order occurs in a system of chiral molecules. To case (a), defined above, belong (i) the non-polar, achiral, optically uniaxial D2d phase with ambidextrous helicity (due to a linear gradient free energy contribution) and with orientational frustration in external fields, (ii) the non-polar tetragonal S4 phase, (iii) the non-polar, orthorhombic D2 phase that is structurally chiral featuring ambidextrous chirality, (iv) the polar orthorhombic C2v phase, and (v) the polar, structurally chiral, monoclinic C2 phase. Case (b) results in a trigonal C3v phase that behaves like a biaxial polar nematic phase. An example for case (c) is a splay bend phase, where the ground state is inhomogeneous due to a linear gradient free energy contribution. Finally, we discuss some experiments

  8. Self-Replicating Quadratics

    ERIC Educational Resources Information Center

    Withers, Christopher S.; Nadarajah, Saralees

    2012-01-01

    We show that there are exactly four quadratic polynomials, Q(x) = x [superscript 2] + ax + b, such that (x[superscript 2] + ax + b) (x[superscript 2] - ax + b) = (x[superscript 4] + ax[superscript 2] + b). For n = 1, 2, ..., these quadratic polynomials can be written as the product of N = 2[superscript n] quadratic polynomials in x[superscript…

  9. Au20: A Tetrahedral Cluster

    SciTech Connect

    Li, Jun; Li, Xi; Zhai, Hua Jin; Wang, Lai S.

    2003-02-07

    Photoelectron spectroscopy revealed that a 20 atom gold cluster has an extremely large energy gap, which is even greater than that of C60, and an electron affinity comparable with that of C60. This observation suggests that the Au20 cluster must be extremely stable and chemically inert. Using relativistic density functional calculations, we found that Au20 possesses a remarkable tetrahedral structure, which is a fragment of the bulk face-centered cubic lattice of gold with a small structural relaxation. Au20 is thus a true cluster molecule, while at the same time it is exactly part of the bulk, but with very different properties. The tetrahedral Au20 may possess interesting catalytic properties and may be synthesized in bulk quantity or assembled on non-interacting surfaces.

  10. Tetrahedral Rovers: The Next Generation

    NASA Astrophysics Data System (ADS)

    Clark, Pamela E.; Curtis, S. A.; Rilee, M. L.; Wesenberg, R.; Cheug, C. Y.; Dorband, J.; Brown, G.; Sams, J.

    2006-09-01

    Addressable, reconfigurable rover architectures capable of real time transformation in size, shape, and gait will be essential for accessing those `hard to reach’ places where evidence for activity, geological or biological, might be hiding on planetary surfaces. We have designed and field tested simple tetrahedral rovers and are about to finish our third generation prototype, a human-sized 12tetrahedral rover capable of rolling, crawling, and climbing gaits. Our first prototype (1tet) walked a steep, slaggy slope at meteor crater. The performance of the new prototype will be evaluated in a variety of field environments using metrics which will allow comparison to wheeled rover performance in analogous terrains. Extreme mobililty is based on the capability for rapid reconfiguation of addressable struts interconnected at nodes (forming the space-filling tetrahedra) combined with rapid and low bandwidth position determination, communication and navigation/maneuvering systems. These latter capabilities are already under development elsewhere. We are designing a payload node which will allow lightweight sensors to remain upright for operation. Power generation requiring peak power for locomotion will be via a tetrahedrally deployable solar cell/rechargeable battery system. A variety of electrostatic dust control methods are being investigated. Basic gaits, developed for prevailing terrain conditions, are adjustable with movement across terrain approaching `real time’ for a human explorer.`Falling’ (except over a cliff) is not possible. Such a rover provides complimentary capabilities to a wheeled rover, which has the most efficient locomotion on terrain relatively smooth and flat on the scale of the wheels, and is thus capable of acting as an equipment base. The tetrahedral rover, acting as a scout, could provide reconnaissance, surveying, in situ sensing/sampling, and monitoring on what would be `slippery slopes’ for wheels.

  11. Water's non-tetrahedral side.

    PubMed

    Henchman, Richard H; Cockram, Stuart J

    2013-01-01

    The case for liquid water having non-tetrahedral as well as tetrahedral coordination is put forward. Given the dependence of structure on the hydrogen bond definition, a recent conceptual breakthrough has been the topological hydrogen bond definition which overcomes the shortcomings of traditional cut-off-based hydrogen bond definitions. It identifies the hydrogen bonds in water's first coordination shell using assumed transition states as boundaries instead of fixed cut-offs. Here, the topological definition is applied to liquid water to characterise the distances, angles and energies of the hydrogen bonds for the different types of coordinations found. These coordinations include bent, trigonal, tetrahedral, trigonal bipyramidal, and octahedral structures, as well as bifurcated hydrogens, bifurcated oxygens and cyclic dimers, and larger polygons. All species are shown to have properties consistent with their classification, justifying their assignments, and supporting the structure of water as a continuous, single phase mixture. However, a detailed analysis to assess the existence of the assumed transition states reveals the remarkable finding that hydrogen bond switching via a bifurcated hydrogen under certain circumstances is a barrierless process. The likelihood of a switch depends on both the acceptor numbers and on the proximity of a donor to its acceptor. Specifically, a donor in an acceptor's outermost subshell switches uphill to an acceptor of the same or higher coordination to the starting acceptor, downhill to an acceptor of lower coordination by two or more, or sits bifurcated between two acceptors if the new acceptor has a coordination lower by only one. Which it is depends intimately on the donor molecule's oscillations and on other hydrogen bond switches that control the nearby acceptors' coordinations. Finally, a search is conducted for long-range structure in water in terms of asymmetry in the distribution of the donor-acceptor bias but none is

  12. Quadratic eigenvalue problems.

    SciTech Connect

    Walsh, Timothy Francis; Day, David Minot

    2007-04-01

    In this report we will describe some nonlinear eigenvalue problems that arise in the areas of solid mechanics, acoustics, and coupled structural acoustics. We will focus mostly on quadratic eigenvalue problems, which are a special case of nonlinear eigenvalue problems. Algorithms for solving the quadratic eigenvalue problem will be presented, along with some example calculations.

  13. Nuclear tetrahedral configurations at spin zero

    SciTech Connect

    Zberecki, Krzysztof; Magierski, Piotr; Heenen, Paul-Henri

    2009-01-15

    The possibility of the existence of stable tetrahedral deformations at spin zero is investigated using the Skyrme-HFBCS approach and the generator coordinate method (GCM). The study is limited to nuclei in which the tetrahedral mode has been predicted to be favored on the basis of non-self-consistent models. Our results indicate that a clear identification of tetrahedral deformations is unlikely because they are strongly mixed with the axial octupole mode. However, the excitation energies related to the tetrahedral mode are systematically lower than those of the axial octupole mode in all the nuclei included in this study.

  14. Self-replicating quadratics

    NASA Astrophysics Data System (ADS)

    Withers, Christopher S.; Nadarajah, Saralees

    2012-06-01

    We show that there are exactly four quadratic polynomials, Q(x) = x 2 + ax + b, such that For n = 1, 2, … , these quadratic polynomials can be written as the product of N = 2 n quadratic polynomials in x 1/N , namely, ? , where w N is the Nth root of 1.

  15. Building Tetrahedral Kites. Grades 6-8.

    ERIC Educational Resources Information Center

    Rushton, Erik; Ryan, Emily; Swift, Charles

    Working in teams of four, students build a tetrahedral kite following a specific set of directions and using specific provided materials. Students use basic processes of manufacturing systems-- cutting, shaping, forming, conditioning, assembling, joining, finishing, and quality control--to manufacture a complete tetrahedral kite within a given…

  16. Resolvability and the Tetrahedral Configuration of Carbon.

    ERIC Educational Resources Information Center

    Kauffman, George B.

    1983-01-01

    Discusses evidence for the tetrahedral configuration of the carbon atom, indicating that three symmetrical configurations are theoretically possible for coordination number four. Includes table indicating that resolvability of compounds of type CR'R"R"'R"" is a necessary but not sufficient condition for proving tetrahedral configuration. (JN)

  17. Rescuing quadratic inflation

    SciTech Connect

    Ellis, John; Fairbairn, Malcolm; Sueiro, Maria E-mail: malcolm.fairbairn@kcl.ac.uk

    2014-02-01

    Inflationary models based on a single scalar field φ with a quadratic potential V = ½m{sup 2}φ{sup 2} are disfavoured by the recent Planck constraints on the scalar index, n{sub s}, and the tensor-to-scalar ratio for cosmological density perturbations, r{sub T}. In this paper we study how such a quadratic inflationary model can be rescued by postulating additional fields with quadratic potentials, such as might occur in sneutrino models, which might serve as either curvatons or supplementary inflatons. Introducing a second scalar field reduces but does not remove the pressure on quadratic inflation, but we find a sample of three-field models that are highly compatible with the Planck data on n{sub s} and r{sub T}. We exhibit a specific three-sneutrino example that is also compatible with the data on neutrino mass difference and mixing angles.

  18. Au40: A Large Tetrahedral Magic Cluster

    SciTech Connect

    Jiang, Deen; Walter, Michael

    2011-01-01

    40 is a magic number for tetrahedral symmetry predicted in both nuclear physics and the electronic jellium model. We show that Au{sub 40} could be such a magic cluster from density functional theory-based basin hopping for global minimization. The putative global minimum found for Au{sub 40} has a twisted pyramid structure, reminiscent of the famous tetrahedral Au{sub 20}, and a sizable HOMO-LUMO gap of 0.69 eV, indicating its molecular nature. Analysis of the electronic states reveals that the gap is related to shell closings of the metallic electrons in a tetrahedrally distorted effective potential.

  19. Lattice Cleaving: Conforming Tetrahedral Meshes of Multimaterial Domains with Bounded Quality.

    PubMed

    Bronson, Jonathan R; Levine, Joshua A; Whitaker, Ross T

    2013-01-01

    We introduce a new algorithm for generating tetrahedral meshes that conform to physical boundaries in volumetric domains consisting of multiple materials. The proposed method allows for an arbitrary number of materials, produces high-quality tetrahedral meshes with upper and lower bounds on dihedral angles, and guarantees geometric fidelity. Moreover, the method is combinatoric so its implementation enables rapid mesh construction. These meshes are structured in a way that also allows grading, in order to reduce element counts in regions of homogeneity.

  20. Interactive isosurface ray tracing of time-varying tetrahedral volumes.

    PubMed

    Wald, Ingo; Friedrich, Heiko; Knoll, Aaron; Hansen, Charles D

    2007-01-01

    We describe a system for interactively rendering isosurfaces of tetrahedral finite-element scalar fields using coherent ray tracing techniques on the CPU. By employing state-of-the art methods in polygonal ray tracing, namely aggressive packet/frustum traversal of a bounding volume hierarchy, we can accomodate large and time-varying unstructured data. In conjunction with this efficiency structure, we introduce a novel technique for intersecting ray packets with tetrahedral primitives. Ray tracing is flexible, allowing for dynamic changes in isovalue and time step, visualization of multiple isosurfaces, shadows, and depth-peeling transparency effects. The resulting system offers the intuitive simplicity of isosurfacing, guaranteed-correct visual results, and ultimately a scalable, dynamic and consistently interactive solution for visualizing unstructured volumes.

  1. Details of tetrahedral anisotropic mesh adaptation

    NASA Astrophysics Data System (ADS)

    Jensen, Kristian Ejlebjerg; Gorman, Gerard

    2016-04-01

    We have implemented tetrahedral anisotropic mesh adaptation using the local operations of coarsening, swapping, refinement and smoothing in MATLAB without the use of any for- N loops, i.e. the script is fully vectorised. In the process of doing so, we have made three observations related to details of the implementation: 1. restricting refinement to a single edge split per element not only simplifies the code, it also improves mesh quality, 2. face to edge swapping is unnecessary, and 3. optimising for the Vassilevski functional tends to give a little higher value for the mean condition number functional than optimising for the condition number functional directly. These observations have been made for a uniform and a radial shock metric field, both starting from a structured mesh in a cube. Finally, we compare two coarsening techniques and demonstrate the importance of applying smoothing in the mesh adaptation loop. The results pertain to a unit cube geometry, but we also show the effect of corners and edges by applying the implementation in a spherical geometry.

  2. MMS Spacecraft Transition to Tetrahedral Flying Formation

    NASA Video Gallery

    In the latter half of July 2015, the four satellites of the Magnetosphere Multi-scale (MMS) mission move into their tetrahedral formation flying configuration as part of the checkout for the scienc...

  3. The Mystical "Quadratic Formula."

    ERIC Educational Resources Information Center

    March, Robert H.

    1993-01-01

    Uses projectile motion to explain the two roots found when using the quadratic formula. An example is provided for finding the time of flight for a projectile which has a negative root implying a negative time of flight. This negative time of flight also has a useful physical meaning. (MVL)

  4. A Quadratic Spring Equation

    ERIC Educational Resources Information Center

    Fay, Temple H.

    2010-01-01

    Through numerical investigations, we study examples of the forced quadratic spring equation [image omitted]. By performing trial-and-error numerical experiments, we demonstrate the existence of stability boundaries in the phase plane indicating initial conditions yielding bounded solutions, investigate the resonance boundary in the [omega]…

  5. List-mode image reconstruction for positron emission tomography using tetrahedral voxels

    NASA Astrophysics Data System (ADS)

    Gillam, John E.; Angelis, Georgios I.; Meikle, Steven R.

    2016-09-01

    Image space decomposition based on tetrahedral voxels are interesting candidates for use in emission tomography. Tetrahedral voxels provide many of the advantages of point clouds with irregular spacing, such as being intrinsically multi-resolution, yet they also serve as a volumetric partition of the image space and so are comparable to more standard cubic voxels. Additionally, non-rigid displacement fields can be applied to the tetrahedral mesh in a straight-forward manner. So far studies incorporating tetrahedral decomposition of the image space have concentrated on pre-calculated, node-based, system matrix elements which reduces the flexibility of the tetrahedral approach and the capacity to accurately define regions of interest. Here, a list-mode on-the-fly calculation of the system matrix elements is described using a tetrahedral decomposition of the image space and volumetric elements—voxels. The algorithm is demonstrated in the context of awake animal PET which may require both rigid and non-rigid motion compensation, as well as quantification within small regions of the brain. This approach allows accurate, event based, motion compensation including non-rigid deformations.

  6. Possible tetrahedral band in ^156Dy

    NASA Astrophysics Data System (ADS)

    Riedinger, L. L.; Hartley, D. J.; Curien, D.; Dudek, J.; Duchene, G.; Gall, B.; Riley, M. A.; Wang, X.; Beausang, C.; Garrett, P. E.; Kulp, W. D.; Wood, J. L.; Carpenter, M. P.; Chiara, C. J.; Kondev, F. G.; Lauritsen, T.; McCutchan, E. A.; Zhu, S.; Sharpey-Schafer, J.; Allmond, J. M.; Yu, C. H.; Simpson, J.; Werner, V.

    2010-11-01

    The lowest lying negative-parity band in ^156Dy has been viewed as a K = 0^- octupole-vibrational band, but could be tetrahedral in nature. To determine if this band is tetrahedral, the lifetimes of the states must be measured. We report a pilot study of the ^26Mg(^126Xe,5n) reaction using Gammasphere at Argonne's ATLAS facility, to learn if the states of interest would be populated in this reaction and to discover if any Doppler broadening could be observed, indicating a long lifetime for the band of interest. The states were populated in a low--statistics run and no Doppler broadening was observed, which is consistent with (but not conclusive for) tetrahedral symmetry. We are preparing a plunger measurement to disentangle the 2 ps population of this band from the lifetimes of the states in this debated K = 0^- band, to learn if it is octupole vibrational (state lifetime around 0.5 ps) or tetrahedral (longer than a few ps).

  7. Tetrahedral boron in naturally occurring tourmaline

    SciTech Connect

    Tagg, S.L.; Cho, H.; Dyar, M.D.; Grew, E.S.

    1999-09-01

    Evidence for boron in both trigonal and tetrahedral coordination has been found in {sup 11}B magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) spectra of natural, inclusion-free specimens of aluminum-rich lithian tourmaline from granitic pregmatites.

  8. Solitons in quadratic media

    NASA Astrophysics Data System (ADS)

    Colin, M.; Di Menza, L.; Saut, J. C.

    2016-03-01

    In this paper, we investigate the properties of solitonic structures arising in quadratic media. First, we recall the derivation of systems governing the interaction process for waves propagating in such media and we check the local and global well-posedness of the corresponding Cauchy problem. Then, we look for stationary states in the context of normal or anomalous dispersion regimes, that lead us to either elliptic or non-elliptic systems and we address the problem of orbital stability. Finally, some numerical experiments are carried out in order to compute localized states for several regimes and to study dynamic stability as well as long-time asymptotics.

  9. Search for Tetrahedral Symmetry in 70Ge

    NASA Astrophysics Data System (ADS)

    Le, Khanh; Haring-Kaye, R. A.; Elder, R. M.; Jones, K. D.; Morrow, S. I.; Tabor, S. L.; Tripathi, V.; Bender, P. C.; Allegro, P. R. P.; Medina, N. H.; Oliveira, J. R. B.; Doring, J.

    2014-09-01

    The even-even Ge isotopes have recently become an active testing ground for a variety of exotic structural characteristics, including the existence of tetrahedral symmetry (pyramid-like shapes). Although theoretical shape calculations predict the onset of tetrahedral symmetry near 72Ge, the experimental signatures (including vanishing quadrupole moments within high-spin bands) remain elusive. This study searched for possible experimental evidence of tetrahedral symmetry in 70Ge. Excited states in 70Ge were populated at Florida State University using the 55Mn(18O,p2n) fusion-evaporation reaction at 50 MeV. Prompt γ- γ coincidences were measured with a Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. The existing level scheme was enhanced through the addition of 20 new transitions and the rearrangement of five others based on the measured coincidence relations and relative intensities. Lifetimes of 24 states were measured using the Doppler-shift attenuation method, from which transition quadrupole moments were inferred. These results will be compared with those obtained from cranked Woods-Saxon calculations. The even-even Ge isotopes have recently become an active testing ground for a variety of exotic structural characteristics, including the existence of tetrahedral symmetry (pyramid-like shapes). Although theoretical shape calculations predict the onset of tetrahedral symmetry near 72Ge, the experimental signatures (including vanishing quadrupole moments within high-spin bands) remain elusive. This study searched for possible experimental evidence of tetrahedral symmetry in 70Ge. Excited states in 70Ge were populated at Florida State University using the 55Mn(18O,p2n) fusion-evaporation reaction at 50 MeV. Prompt γ- γ coincidences were measured with a Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. The existing level scheme was enhanced through the addition

  10. Quadratic spatial soliton interactions

    NASA Astrophysics Data System (ADS)

    Jankovic, Ladislav

    Quadratic spatial soliton interactions were investigated in this Dissertation. The first part deals with characterizing the principal features of multi-soliton generation and soliton self-reflection. The second deals with two beam processes leading to soliton interactions and collisions. These subjects were investigated both theoretically and experimentally. The experiments were performed by using potassium niobate (KNBO 3) and periodically poled potassium titanyl phosphate (KTP) crystals. These particular crystals were desirable for these experiments because of their large nonlinear coefficients and, more importantly, because the experiments could be performed under non-critical-phase-matching (NCPM) conditions. The single soliton generation measurements, performed on KNBO3 by launching the fundamental component only, showed a broad angular acceptance bandwidth which was important for the soliton collisions performed later. Furthermore, at high input intensities multi-soliton generation was observed for the first time. The influence on the multi-soliton patterns generated of the input intensity and beam symmetry was investigated. The combined experimental and theoretical efforts indicated that spatial and temporal noise on the input laser beam induced multi-soliton patterns. Another research direction pursued was intensity dependent soliton routing by using of a specially engineered quadratically nonlinear interface within a periodically poled KTP sample. This was the first time demonstration of the self-reflection phenomenon in a system with a quadratic nonlinearity. The feature investigated is believed to have a great potential for soliton routing and manipulation by engineered structures. A detailed investigation was conducted on two soliton interaction and collision processes. Birth of an additional soliton resulting from a two soliton collision was observed and characterized for the special case of a non-planar geometry. A small amount of spiraling, up to 30

  11. Quadratic soliton self-reflection at a quadratically nonlinear interface

    NASA Astrophysics Data System (ADS)

    Jankovic, Ladislav; Kim, Hongki; Stegeman, George; Carrasco, Silvia; Torner, Lluis; Katz, Mordechai

    2003-11-01

    The reflection of bulk quadratic solutions incident onto a quadratically nonlinear interface in periodically poled potassium titanyl phosphate was observed. The interface consisted of the boundary between two quasi-phase-matched regions displaced from each other by a half-period. At high intensities and small angles of incidence the soliton is reflected.

  12. Tetrahedrally coordinated carbonates in Earth's lower mantle.

    PubMed

    Boulard, Eglantine; Pan, Ding; Galli, Giulia; Liu, Zhenxian; Mao, Wendy L

    2015-01-01

    Carbonates are the main species that bring carbon deep into our planet through subduction. They are an important rock-forming mineral group, fundamentally distinct from silicates in the Earth's crust in that carbon binds to three oxygen atoms, while silicon is bonded to four oxygens. Here we present experimental evidence that under the sufficiently high pressures and high temperatures existing in the lower mantle, ferromagnesian carbonates transform to a phase with tetrahedrally coordinated carbons. Above 80 GPa, in situ synchrotron infrared experiments show the unequivocal spectroscopic signature of the high-pressure phase of (Mg,Fe)CO3. Using ab-initio calculations, we assign the new infrared signature to C-O bands associated with tetrahedrally coordinated carbon with asymmetric C-O bonds. Tetrahedrally coordinated carbonates are expected to exhibit substantially different reactivity than low-pressure threefold coordinated carbonates, as well as different chemical properties in the liquid state. Hence, this may have significant implications for carbon reservoirs and fluxes, and the global geodynamic carbon cycle. PMID:25692448

  13. Tetrahedrally coordinated carbonates in Earth's lower mantle.

    PubMed

    Boulard, Eglantine; Pan, Ding; Galli, Giulia; Liu, Zhenxian; Mao, Wendy L

    2015-01-01

    Carbonates are the main species that bring carbon deep into our planet through subduction. They are an important rock-forming mineral group, fundamentally distinct from silicates in the Earth's crust in that carbon binds to three oxygen atoms, while silicon is bonded to four oxygens. Here we present experimental evidence that under the sufficiently high pressures and high temperatures existing in the lower mantle, ferromagnesian carbonates transform to a phase with tetrahedrally coordinated carbons. Above 80 GPa, in situ synchrotron infrared experiments show the unequivocal spectroscopic signature of the high-pressure phase of (Mg,Fe)CO3. Using ab-initio calculations, we assign the new infrared signature to C-O bands associated with tetrahedrally coordinated carbon with asymmetric C-O bonds. Tetrahedrally coordinated carbonates are expected to exhibit substantially different reactivity than low-pressure threefold coordinated carbonates, as well as different chemical properties in the liquid state. Hence, this may have significant implications for carbon reservoirs and fluxes, and the global geodynamic carbon cycle.

  14. Students' Understanding of Quadratic Equations

    ERIC Educational Resources Information Center

    López, Jonathan; Robles, Izraim; Martínez-Planell, Rafael

    2016-01-01

    Action-Process-Object-Schema theory (APOS) was applied to study student understanding of quadratic equations in one variable. This required proposing a detailed conjecture (called a genetic decomposition) of mental constructions students may do to understand quadratic equations. The genetic decomposition which was proposed can contribute to help…

  15. Use of quadratic components for buckling calculations

    SciTech Connect

    Dohrmann, C.R.; Segalman, D.J.

    1996-12-31

    A buckling calculation procedure based on the method of quadratic components is presented. Recently developed for simulating the motion of rotating flexible structures, the method of quadratic components is shown to be applicable to buckling problems with either conservative or nonconservative loads. For conservative loads, stability follows from the positive definiteness of the system`s stiffness matrix. For nonconservative loads, stability is determined by solving a nonsymmetric eigenvalue problem, which depends on both the stiffness and mass distribution of the system. Buckling calculations presented for a cantilevered beam are shown to compare favorably with classical results. Although the example problem is fairly simple and well-understood, the procedure can be used in conjunction with a general-purpose finite element code for buckling calculations of more complex systems.

  16. Small Power Technology for Tetrahedral Rovers

    NASA Astrophysics Data System (ADS)

    Clark, P. E.; Floyd, S. R.; Butler, C. D.; Flom, Y.

    2006-01-01

    The Small Power Technology (SPOT) being studied at GSFC has the potential to be an efficient and compact radioisotope based electrical power system. Such a system would provide power for innovative tetrahedral robotic arms and walkers to support the lunar exploration initiative within the next decade. Presently, NASA has designated two flight qualified Radioisotope Power Supplies (RPS): the Multi-Mission RTG (MMRTG) which uses thermocouple technology and the more efficient but more massive Stirling RTG (SRTG) which uses a mechanical heat (Stirling) engine technology. With SPOT, thermal output from a radioisotope source is converted to electrical power using a combination of shape memory material and piezoelectric crystals. The SPOT combined energy conversion technologies are potentially more efficient than thermocouples and do not require moving parts, thus keeping efficiency high with an excellent mass to power ratio. Applications of particular interest are highly modular, addressable, reconfigurable arrays of tetrahedral structural components designed to be arms or rovers with high mobility in rough terrain. Such prototypes are currently being built at GSFC. Missions requiring long-lived operation in unilluminated environments preclude the use of solar cells as the main power source and must rely on the use of RPS technology. The design concept calls for a small motor and battery assembly for each strut, and thus a distributed power system. We estimate, based on performance of our current tetrahedral prototypes and power scaling for small motors, that such devices require tens of watts of power output per kilogram of power supply. For these reasons, SPOT is a good candidate for the ART (addressable Reconfigurable Technology) baseline power system.

  17. Pseudo-fivefold diffraction symmetries in tetrahedral packing.

    PubMed

    Lee, Stephen; Henderson, Ryan; Kaminsky, Corey; Nelson, Zachary; Nguyen, Jeffers; Settje, Nick F; Schmidt, Joshua Teal; Feng, Ji

    2013-07-29

    We review the way in which atomic tetrahedra composed of metallic elements pack naturally into fused icosahedra. Orthorhombic, hexagonal, and cubic intermetallic crystals based on this packing are all shown to be united in having pseudo-fivefold rotational diffraction symmetry. A unified geometric model involving the 600-cell is presented: the model accounts for the observed pseudo-fivefold symmetries among the different Bravais lattice types. The model accounts for vertex-, edge-, polygon-, and cell-centered fused-icosahedral clusters. Vertex-centered and edge-centered types correspond to the well-known pseudo-fivefold symmetries in Ih and D5h quasicrystalline approximants. The concept of a tetrahedrally-packed reciprocal space cluster is introduced, the vectors between sites in this cluster corresponding to the principal diffraction peaks of fused-icosahedrally-packed crystals. This reciprocal-space cluster is a direct result of the pseudosymmetry and, just as the real-space clusters, can be rationalized by the 600-cell. The reciprocal space cluster provides insights for the Jones model of metal stability. For tetrahedrally-packed crystals, Jones zone faces prove to be pseudosymmetric with one another. Lower and upper electron per atom bounds calculated for this pseudosymmetry-based Jones model are shown to accord with the observed electron counts for a variety of Group 10-12 tetrahedrally-packed structures, among which are the four known Cu/Cd intermetallic compounds: CdCu2, Cd3Cu4, Cu5Cd8, and Cu3Cd10. The rationale behind the Jones lower and upper bounds is reviewed. The crystal structure of Zn11Au15Cd23, an example of a 1:1 MacKay cubic quasicrystalline approximant based solely on Groups 10-12 elements is presented. This compound crystallizes in Im3 (space group no. 204) with a = 13.842(2) Å. The structure was solved with R1 = 3.53 %, I > 2σ; = 5.33 %, all data with 1282/0/38 data/restraints/parameters.

  18. Dark Matter from Binary Tetrahedral Flavor Symmetry

    NASA Astrophysics Data System (ADS)

    Eby, David; Frampton, Paul

    2012-03-01

    Binary Tetrahedral Flavor Symmetry, originally developed as a quark family symmetry and later adapted to leptons, has proved both resilient and versatile over the past decade. In 2008 a minimal T' model was developed to accommodate quark and lepton masses and mixings using a family symmetry of (T'xZ2). We examine an expansion of this earlier model using an additional Z2 group that facilitates predictions of WIMP dark matter, the Cabibbo angle, and deviations from Tribimaximal Mixing, while giving hints at the nature of leptogenesis.

  19. Effective potential and quadratic divergences

    SciTech Connect

    Einhorn, M.B. ); Jones, D.R.T. )

    1992-12-01

    We use the effective potential to give a simple derivation of Veltman's formula for the quadratic divergence in the Higgs self-energy. We also comment on the effect of going beyond the one-loop approximation.

  20. A bicontinuous tetrahedral structure in a liquid-crystalline lipid

    NASA Astrophysics Data System (ADS)

    Longley, William; McIntosh, Thomas J.

    1983-06-01

    The structure of most lipid-water phases can be visualized as an ordered distribution of two liquid media, water and hydrocarbons, separated by a continuous surface covered by the polar groups of the lipid molecules1. In the cubic phases in particular, rod-like elements are linked into three-dimensional networks1,2. Two of these phases (space groups Ia3d and Pn3m) contain two such three-dimensional networks mutually inter-woven and unconnected. Under the constraints of energy minimization3, the interface between the components in certain of these `porous fluids' may well resemble one of the periodic minimal surface structures of the type described mathematically by Schwarz4,5. A structure of this sort has been proposed for the viscous isotropic (cubic) form of glycerol monooleate (GMO) by Larsson et al.6 who suggested that the X-ray diagrams of Lindblom et al.7 indicated a body-centred crystal structure in which lipid bilayers might be arranged as in Schwarz's octahedral surface4. We have now found that at high water contents, a primitive cubic lattice better fits the X-ray evidence with the material in the crystal arranged in a tetrahedral way. The lipid appears to form a single bilayer, continuous in three dimensions, separating two continuous interlinked networks of water. Each of the water networks has the symmetry of the diamond crystal structure and the bilayer lies in the space between them following a surface resembling Schwarz's tetrahedral surface4.

  1. Phase diagram of a truncated tetrahedral model.

    PubMed

    Krcmar, Roman; Gendiar, Andrej; Nishino, Tomotoshi

    2016-08-01

    Phase diagram of a discrete counterpart of the classical Heisenberg model, the truncated tetrahedral model, is analyzed on the square lattice, when the interaction is ferromagnetic. Each spin is represented by a unit vector that can point to one of the 12 vertices of the truncated tetrahedron, which is a continuous interpolation between the tetrahedron and the octahedron. Phase diagram of the model is determined by means of the statistical analog of the entanglement entropy, which is numerically calculated by the corner transfer matrix renormalization group method. The obtained phase diagram consists of four different phases, which are separated by five transition lines. In the parameter region, where the octahedral anisotropy is dominant, a weak first-order phase transition is observed. PMID:27627273

  2. Phase diagram of a truncated tetrahedral model

    NASA Astrophysics Data System (ADS)

    Krcmar, Roman; Gendiar, Andrej; Nishino, Tomotoshi

    2016-08-01

    Phase diagram of a discrete counterpart of the classical Heisenberg model, the truncated tetrahedral model, is analyzed on the square lattice, when the interaction is ferromagnetic. Each spin is represented by a unit vector that can point to one of the 12 vertices of the truncated tetrahedron, which is a continuous interpolation between the tetrahedron and the octahedron. Phase diagram of the model is determined by means of the statistical analog of the entanglement entropy, which is numerically calculated by the corner transfer matrix renormalization group method. The obtained phase diagram consists of four different phases, which are separated by five transition lines. In the parameter region, where the octahedral anisotropy is dominant, a weak first-order phase transition is observed.

  3. Students' understanding of quadratic equations

    NASA Astrophysics Data System (ADS)

    López, Jonathan; Robles, Izraim; Martínez-Planell, Rafael

    2016-05-01

    Action-Process-Object-Schema theory (APOS) was applied to study student understanding of quadratic equations in one variable. This required proposing a detailed conjecture (called a genetic decomposition) of mental constructions students may do to understand quadratic equations. The genetic decomposition which was proposed can contribute to help students achieve an understanding of quadratic equations with improved interrelation of ideas and more flexible application of solution methods. Semi-structured interviews with eight beginning undergraduate students explored which of the mental constructions conjectured in the genetic decomposition students could do, and which they had difficulty doing. Two of the mental constructions that form part of the genetic decomposition are highlighted and corresponding further data were obtained from the written work of 121 undergraduate science and engineering students taking a multivariable calculus course. The results suggest the importance of explicitly considering these two highlighted mental constructions.

  4. Artificial intelligence approach to planning the robotic assembly of large tetrahedral truss structures

    NASA Technical Reports Server (NTRS)

    Homemdemello, Luiz S.

    1992-01-01

    An assembly planner for tetrahedral truss structures is presented. To overcome the difficulties due to the large number of parts, the planner exploits the simplicity and uniformity of the shapes of the parts and the regularity of their interconnection. The planning automation is based on the computational formalism known as production system. The global data base consists of a hexagonal grid representation of the truss structure. This representation captures the regularity of tetrahedral truss structures and their multiple hierarchies. It maps into quadratic grids and can be implemented in a computer by using a two-dimensional array data structure. By maintaining the multiple hierarchies explicitly in the model, the choice of a particular hierarchy is only made when needed, thus allowing a more informed decision. Furthermore, testing the preconditions of the production rules is simple because the patterned way in which the struts are interconnected is incorporated into the topology of the hexagonal grid. A directed graph representation of assembly sequences allows the use of both graph search and backtracking control strategies.

  5. More About the Tetrahedral Unstructured Software System

    NASA Technical Reports Server (NTRS)

    Abdol-Hamid, Khaled S.; Frink, Neal T.; Hunter, Craig A.; Parikh, Paresh C.; Pizadeh, Shalyar Z.; Samareh, Jamshid A.; Bhat, Maharaj K.; Pandya, Mohagna J.; Grismer, Matthew J.

    2006-01-01

    TetrUSS is a comprehensive suite of computational fluid dynamics (CFD) programs that won the Software of the Year award in 1996 and has found increasing use in government, academia, and industry for solving realistic flow problems (especially in aerodynamics and aeroelastics of aircraft having complex shapes). TetrUSS includes not only programs for solving basic equations of flow but also programs that afford capabilities for efficient generation and utilization of computational grids and for graphical representation of computed flows (see figure). The 2004 version of the Tetrahedral Unstructured Software System (TetrUSS), which is one of two software systems reported in "NASA s 2004 Software of the Year," NASA Tech Briefs, Vol. 28, No. 10 (October 2004), page 18, has been improved greatly since 1996. These improvements include (1) capabilities to simulate viscous flow by solving the Navier-Stokes equations on unstructured grids, (2) portability to personal computers from diverse manufacturers, (3) advanced models of turbulence, (4) a parallel-processing version of one of the unstructured-grid Navier-Stokes-equation-solving programs, and (5) advanced programs for generating unstructured grids.

  6. Streaming Compression of Tetrahedral Volume Meshes

    SciTech Connect

    Isenburg, M; Lindstrom, P; Gumhold, S; Shewchuk, J

    2005-11-21

    Geometry processing algorithms have traditionally assumed that the input data is entirely in main memory and available for random access. This assumption does not scale to large data sets, as exhausting the physical memory typically leads to IO-inefficient thrashing. Recent works advocate processing geometry in a 'streaming' manner, where computation and output begin as soon as possible. Streaming is suitable for tasks that require only local neighbor information and batch process an entire data set. We describe a streaming compression scheme for tetrahedral volume meshes that encodes vertices and tetrahedra in the order they are written. To keep the memory footprint low, the compressor is informed when vertices are referenced for the last time (i.e. are finalized). The compression achieved depends on how coherent the input order is and how many tetrahedra are buffered for local reordering. For reasonably coherent orderings and a buffer of 10,000 tetrahedra, we achieve compression rates that are only 25 to 40 percent above the state-of-the-art, while requiring drastically less memory resources and less than half the processing time.

  7. Consensus-ADMM for General Quadratically Constrained Quadratic Programming

    NASA Astrophysics Data System (ADS)

    Huang, Kejun; Sidiropoulos, Nicholas D.

    2016-10-01

    Non-convex quadratically constrained quadratic programming (QCQP) problems have numerous applications in signal processing, machine learning, and wireless communications, albeit the general QCQP is NP-hard, and several interesting special cases are NP-hard as well. This paper proposes a new algorithm for general QCQP. The problem is first reformulated in consensus optimization form, to which the alternating direction method of multipliers (ADMM) can be applied. The reformulation is done in such a way that each of the sub-problems is a QCQP with only one constraint (QCQP-1), which is efficiently solvable irrespective of (non-)convexity. The core components are carefully designed to make the overall algorithm more scalable, including efficient methods for solving QCQP-1, memory efficient implementation, parallel/distributed implementation, and smart initialization. The proposed algorithm is then tested in two applications: multicast beamforming and phase retrieval. The results indicate superior performance over prior state-of-the-art methods.

  8. Hoop/column and tetrahedral truss electromagnetic tests

    NASA Technical Reports Server (NTRS)

    Bailey, M. C.

    1987-01-01

    The distortion of antennas was measured with a metric camera system at discrete target locations on the surface. Given are surface distortion for hoop column reflector antennas, for tetrahedral truss reflector antennas, and distortion contours for the tetrahedral truss reflector. Radiation patterns at 2.27-GHz, 4.26-GHz, 7.73-GHz and 11.6-GHz are given for the hoop column antenna. Also given are radiation patterns at 4.26-GHz and 7.73-GHz for the tetrahedral truss antenna.

  9. Preliminary design of a large tetrahedral truss/hexagonal heatshield panel aerobrake

    NASA Technical Reports Server (NTRS)

    Dorsey, John T.; Mikulas, Martin M., Jr.

    1989-01-01

    An aerobrake structural concept is introduced which consists of two primary components: (1) a lightweight erectable tetrahedral support truss; and (2) sandwich hexagonal heatshield panels which, when attached to the truss, form a continuous impermeable aerobraking surface. Generic finite element models and a general analysis procedure to design tetrahedral truss/hexagonal heatshield panel aerobrakes is developed, and values of the aerobrake design parameters which minimize mass and packaging volume for a 120-foot-diameter aerobrake are determined. Sensitivity of the aerobrake design to variations in design parameters is also assessed. The results show that a 120-foot-diameter aerobrake is viable using the concept presented (i.e., the aerobrake mass is less than or equal to 15 percent of the payload spacecraft mass). Minimizing the aerobrake mass (by increasing the number of rings in the support truss) however, leads to aerobrakes with the highest part count.

  10. Adaptive hybrid prismatic-tetrahedral grids for viscous flows

    NASA Technical Reports Server (NTRS)

    Kallinderis, Yannis; Khawaja, Aly; Mcmorris, Harlan

    1995-01-01

    The paper presents generation of adaptive hybrid prismatic/tetrahedral grids for complex 3-D geometries including multi-body domains. The prisms cover the region close to each body's surface, while tetrahedra are created elsewhere. Two developments are presented for hybrid grid generation around complex 3-D geometries. The first is a new octree/advancing front type of method for generation of the tetrahedra of the hybrid mesh. The main feature of the present advancing front tetrahedra generator that is different from previous such methods is that it does not require the creation of a background mesh by the user for the determination of the grid-spacing and stretching parameters. These are determined via an automatically generated octree. The second development is an Automatic Receding Method (ARM) for treating the narrow gaps in between different bodies in a multiply-connected domain. This method is applied to a two-element wing case. A hybrid grid adaptation scheme that employs both h-refinement and redistribution strategies is developed to provide optimum meshes for viscous flow computations. Grid refinement is a dual adaptation scheme that couples division of tetrahedra, as well as 2-D directional division of prisms.

  11. Application of Mimetic Operators to Tetrahedral Mesh MHD Codes

    NASA Astrophysics Data System (ADS)

    Marklin, George; Jarboe, Tom

    2008-11-01

    Mimetic operators are numerical approximations to the grad, div and curl operators that 'mimic' the orthogonality properties of their analytic counterparts, div(curl)=0 and curl(grad)=0. They define different components of vector fields at different parts of the mesh and can be viewed as a special type of finite element basis and can be defined to arbitrarily high order. They have been used in electromagnetic simulation codes for many years. This poster will show how they can be defined to lowest order on a tetrahedral mesh and applied to Taylor state computations and to the induction equation in an MHD simulation. They have the advantage of being able to exactly maintain zero divergence in both the magnetic field and current density and to make an exact separation of static and inductive electric fields. Mimetic Operators can also be used in the momentum equation and the results will be compared to other commonly used methods like the finite volume and discontinuous Galerkin methods. The new code will be used to run simulations of the HIT-SI experiment with insulated conductor boundary conditions and different injector configurations and results compared to the experiment and to simulations done with the NIMROD code.

  12. Linear state feedback, quadratic weights, and closed loop eigenstructures. M.S. Thesis

    NASA Technical Reports Server (NTRS)

    Thompson, P. M.

    1979-01-01

    Results are given on the relationships between closed loop eigenstructures, state feedback gain matrices of the linear state feedback problem, and quadratic weights of the linear quadratic regulator. Equations are derived for the angles of general multivariable root loci and linear quadratic optimal root loci, including angles of departure and approach. The generalized eigenvalue problem is used for the first time to compute angles of approach. Equations are also derived to find the sensitivity of closed loop eigenvalues and the directional derivatives of closed loop eigenvectors (with respect to a scalar multiplying the feedback gain matrix or the quadratic control weight). An equivalence class of quadratic weights that produce the same asymptotic eigenstructure is defined, sufficient conditions to be in it are given, a canonical element is defined, and an algorithm to find it is given. The behavior of the optimal root locus in the nonasymptotic region is shown to be different for quadratic weights with the same asymptotic properties.

  13. Binary Inspiral in Quadratic Gravity

    NASA Astrophysics Data System (ADS)

    Yagi, Kent

    2015-01-01

    Quadratic gravity is a general class of quantum-gravity-inspired theories, where the Einstein-Hilbert action is extended through the addition of all terms quadratic in the curvature tensor coupled to a scalar field. In this article, we focus on the scalar Gauss- Bonnet (sGB) theory and consider the black hole binary inspiral in this theory. By applying the post-Newtonian (PN) formalism, we found that there is a scalar dipole radiation which leads to -1PN correction in the energy flux relative to gravitational radiation in general relativity. From the orbital decay rate of a low-mass X-ray binary A0600-20, we obtain the bound that is six orders of magnitude stronger than the current solar system bound. Furthermore, we show that the excess in the orbital decay rate of XTE J1118+480 can be explained by the scalar radiation in sGB theory.

  14. Dynamic Modulation of DNA Hybridization Using Allosteric DNA Tetrahedral Nanostructures.

    PubMed

    Song, Ping; Li, Min; Shen, Juwen; Pei, Hao; Chao, Jie; Su, Shao; Aldalbahi, Ali; Wang, Lihua; Shi, Jiye; Song, Shiping; Wang, Lianhui; Fan, Chunhai; Zuo, Xiaolei

    2016-08-16

    The fixed dynamic range of traditional biosensors limits their utility in several real applications. For example, viral load monitoring requires the dynamic range spans several orders of magnitude; whereas, monitoring of drugs requires extremely narrow dynamic range. To overcome this limitation, here, we devised tunable biosensing interface using allosteric DNA tetrahedral bioprobes to tune the dynamic range of DNA biosensors. Our strategy takes the advantage of the readily and flexible structure design and predictable geometric reconfiguration of DNA nanotechnology. We reconfigured the DNA tetrahedral bioprobes by inserting the effector sequence into the DNA tetrahedron, through which, the binding affinity of DNA tetrahedral bioprobes can be tuned. As a result, the detection limit of DNA biosensors can be programmably regulated. The dynamic range of DNA biosensors can be tuned (narrowed or extended) for up to 100-fold. Using the regulation of binding affinity, we realized the capture and release of biomolecules by tuning the binding behavior of DNA tetrahedral bioprobes. PMID:27435955

  15. Quantum bouncer with quadratic dissipation

    NASA Astrophysics Data System (ADS)

    González, G.

    2008-02-01

    The energy loss due to a quadratic velocity dependent force on a quantum particle bouncing on a perfectly reflecting surface is obtained for a full cycle of motion. We approach this problem by means of a new effective phenomenological Hamiltonian which corresponds to the actual energy of the system and obtained the correction to the eigenvalues of the energy in first order quantum perturbation theory for the case of weak dissipation.

  16. Geometrical Solutions of Quadratic Equations.

    ERIC Educational Resources Information Center

    Grewal, A. S.; Godloza, L.

    1999-01-01

    Demonstrates that the equation of a circle (x-h)2 + (y-k)2 = r2 with center (h; k) and radius r reduces to a quadratic equation x2-2xh + (h2 + k2 -r2) = O at the intersection with the x-axis. Illustrates how to determine the center of a circle as well as a point on a circle. (Author/ASK)

  17. Orthogonality preserving infinite dimensional quadratic stochastic operators

    SciTech Connect

    Akın, Hasan; Mukhamedov, Farrukh

    2015-09-18

    In the present paper, we consider a notion of orthogonal preserving nonlinear operators. We introduce π-Volterra quadratic operators finite and infinite dimensional settings. It is proved that any orthogonal preserving quadratic operator on finite dimensional simplex is π-Volterra quadratic operator. In infinite dimensional setting, we describe all π-Volterra operators in terms orthogonal preserving operators.

  18. Low-energy tetrahedral polymorphs of carbon, silicon, and germanium

    NASA Astrophysics Data System (ADS)

    Mujica, Andrés; Pickard, Chris J.; Needs, Richard J.

    2015-06-01

    Searches for low-energy tetrahedral polymorphs of carbon and silicon have been performed using density functional theory computations and the ab initio random structure searching approach. Several of the hypothetical phases obtained in our searches have enthalpies that are lower or comparable to those of other polymorphs of group 14 elements that have either been experimentally synthesized or recently proposed as the structure of unknown phases obtained in experiments, and should thus be considered as particularly interesting candidates. A structure of P b a m symmetry with 24 atoms in the unit cell was found to be a low-energy, low-density metastable polymorph in carbon, silicon, and germanium. In silicon, P b a m is found to have a direct band gap at the zone center with an estimated value of 1.4 eV, which suggests applications as a photovoltaic material. We have also found a low-energy chiral framework structure of P 41212 symmetry with 20 atoms per cell containing fivefold spirals of atoms, whose projected topology is that of the so-called Cairo-type two-dimensional pentagonal tiling. We suggest that P 41212 is a likely candidate for the structure of the unknown phase XIII of silicon. We discuss P b a m and P 41212 in detail, contrasting their energetics and structures with those of other group 14 elements, particularly the recently proposed P 42/n c m structure, for which we also provide a detailed interpretation as a network of tilted diamondlike tetrahedra.

  19. Primordial bubbles from quadratic gravity

    NASA Astrophysics Data System (ADS)

    Occhionero, Franco; Amendola, Luca

    1994-10-01

    A toy model of inflation with a first order phase transition built on a nonminimal generalization of quadratic gravity effectively implements a two field inflation and copiously spurs bubbles before the end of the slow roll. In particular, the phase transition may be brought to completion quickly enough to leave an observable signature at the large scales. We identify analytically and numerically the parameter space region capable of fitting the observed galaxy correlation function, while passing the microwave background constraints. Thus, astronomical observations can yield information upon the parameters of fundamental physics.

  20. Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systems

    NASA Astrophysics Data System (ADS)

    Domcke, Wolfgang; Opalka, Daniel; Poluyanov, Leonid V.

    2016-03-01

    A relativistic generalization of Jahn-Teller theory is presented which includes spin-orbit coupling effects beyond low-order Taylor expansions in vibrational coordinates. For the example of a p-electron in tetrahedral and trigonal environments, the matrix elements of the Breit-Pauli spin-orbit-coupling operator are expressed in terms of the matrix elements of the electrostatic electronic potential. Employing expansions of the latter in invariant polynomials in symmetry-adapted nuclear coordinates, the spin-orbit induced Jahn-Teller coupling terms are derived for the T2 × (t2 + e) and (E + A) × (e + a) Jahn-Teller problems up to arbitrarily high orders. The linear G3/2 × (t2 + e) Jahn-Teller Hamiltonian of Moffitt and Thorson [Phys. Rev. 108, 1251 (1957)] for tetrahedral systems is generalized to higher orders in vibrational displacements. The Jahn-Teller Hamiltonians derived in the present work are useful for the interpolation and extrapolation of Jahn-Teller distorted potential-energy surfaces of molecules and complexes with heavy elements as well as for the calculation of vibronic spectra of such systems.

  1. Single-photon quadratic optomechanics

    PubMed Central

    Liao, Jie-Qiao; Nori, Franco

    2014-01-01

    We present exact analytical solutions to study the coherent interaction between a single photon and the mechanical motion of a membrane in quadratic optomechanics. We consider single-photon emission and scattering when the photon is initially inside the cavity and in the fields outside the cavity, respectively. Using our solutions, we calculate the single-photon emission and scattering spectra, and find relations between the spectral features and the system's inherent parameters, such as: the optomechanical coupling strength, the mechanical frequency, and the cavity-field decay rate. In particular, we clarify the conditions for the phonon sidebands to be visible. We also study the photon-phonon entanglement for the long-time emission and scattering states. The linear entropy is employed to characterize this entanglement by treating it as a bipartite one between a single mode of phonons and a single photon. PMID:25200128

  2. Hinge specification for a square-faceted tetrahedral truss

    NASA Technical Reports Server (NTRS)

    Adams, L. R.

    1984-01-01

    A square-faceted tetrahedral truss is geometrically analyzed. Expressions are developed for single degree of freedom hinges which allow packaging of the structure into a configuration in which all members are parallel and closely packed in a square pattern. Deployment is sequential, thus providing control over the structure during deployment.

  3. An Unexpected Influence on a Quadratic

    ERIC Educational Resources Information Center

    Davis, Jon D.

    2013-01-01

    Using technology to explore the coefficients of a quadratic equation can lead to an unexpected result. This article describes an investigation that involves sliders and dynamically linked representations. It guides students to notice the effect that the parameter "a" has on the graphical representation of a quadratic function in the form…

  4. Binary Quadratic Forms: A Historical View

    ERIC Educational Resources Information Center

    Khosravani, Azar N.; Beintema, Mark B.

    2006-01-01

    We present an expository account of the development of the theory of binary quadratic forms. Beginning with the formulation and proof of the Two-Square Theorem, we show how the study of forms of the type x[squared] + ny[squared] led to the discovery of the Quadratic Reciprocity Law, and how this theorem, along with the concept of reduction relates…

  5. Factorising a Quadratic Expression with Geometric Insights

    ERIC Educational Resources Information Center

    Joarder, Anwar H.

    2015-01-01

    An algorithm is presented for factorising a quadratic expression to facilitate instruction and learning. It appeals to elementary geometry which may provide better insights to some students or teachers. There have been many methods for factorising a quadratic expression described in school text books. However, students often seem to struggle with…

  6. Faraday rotation due to quadratic gravitation

    NASA Astrophysics Data System (ADS)

    Chen, Yihan; Liu, Liping; Tian, Wen-Xiu

    2011-01-01

    The linearized field equations of quadratic gravitation in stationary space-time are written in quasi-Maxwell form. The rotation of the polarization plane for an electromagnetic wave propagating in the gravito-electromagnetic field caused by a rotating gravitational lens is discussed. The influences of the Yukawa potential in quadratic gravitation on the gravitational Faraday rotation are investigated.

  7. Tetrahedral-Mesh Simulation of Turbulent Flows with the Space-Time Conservative Schemes

    NASA Technical Reports Server (NTRS)

    Chang, Chau-Lyan; Venkatachari, Balaji; Cheng, Gary C.

    2015-01-01

    Direct numerical simulations of turbulent flows are predominantly carried out using structured, hexahedral meshes despite decades of development in unstructured mesh methods. Tetrahedral meshes offer ease of mesh generation around complex geometries and the potential of an orientation free grid that would provide un-biased small-scale dissipation and more accurate intermediate scale solutions. However, due to the lack of consistent multi-dimensional numerical formulations in conventional schemes for triangular and tetrahedral meshes at the cell interfaces, numerical issues exist when flow discontinuities or stagnation regions are present. The space-time conservative conservation element solution element (CESE) method - due to its Riemann-solver-free shock capturing capabilities, non-dissipative baseline schemes, and flux conservation in time as well as space - has the potential to more accurately simulate turbulent flows using unstructured tetrahedral meshes. To pave the way towards accurate simulation of shock/turbulent boundary-layer interaction, a series of wave and shock interaction benchmark problems that increase in complexity, are computed in this paper with triangular/tetrahedral meshes. Preliminary computations for the normal shock/turbulence interactions are carried out with a relatively coarse mesh, by direct numerical simulations standards, in order to assess other effects such as boundary conditions and the necessity of a buffer domain. The results indicate that qualitative agreement with previous studies can be obtained for flows where, strong shocks co-exist along with unsteady waves that display a broad range of scales, with a relatively compact computational domain and less stringent requirements for grid clustering near the shock. With the space-time conservation properties, stable solutions without any spurious wave reflections can be obtained without a need for buffer domains near the outflow/farfield boundaries. Computational results for the

  8. Tableau-based protein substructure search using quadratic programming

    PubMed Central

    Stivala, Alex; Wirth, Anthony; Stuckey, Peter J

    2009-01-01

    Background Searching for proteins that contain similar substructures is an important task in structural biology. The exact solution of most formulations of this problem, including a recently published method based on tableaux, is too slow for practical use in scanning a large database. Results We developed an improved method for detecting substructural similarities in proteins using tableaux. Tableaux are compared efficiently by solving the quadratic program (QP) corresponding to the quadratic integer program (QIP) formulation of the extraction of maximally-similar tableaux. We compare the accuracy of the method in classifying protein folds with some existing techniques. Conclusion We find that including constraints based on the separation of secondary structure elements increases the accuracy of protein structure search using maximally-similar subtableau extraction, to a level where it has comparable or superior accuracy to existing techniques. We demonstrate that our implementation is able to search a structural database in a matter of hours on a standard PC. PMID:19450287

  9. Structural stiffness, strength and dynamic characteristics of large tetrahedral space truss structures

    NASA Technical Reports Server (NTRS)

    Mikulas, M. M., Jr.; Bush, H. G.; Card, M. F.

    1977-01-01

    Physical characteristics of large skeletal frameworks for space applications are investigated by analyzing one concept: the tetrahedral truss, which is idealized as a sandwich plate with isotropic faces. Appropriate analytical relations are presented in terms of the truss column element properties which for calculations were taken as slender graphite/epoxy tubes. Column loads, resulting from gravity gradient control and orbital transfer, are found to be small for the class structure investigated. Fundamental frequencies of large truss structures are shown to be an order of magnitude lower than large earth based structures. Permissible loads are shown to result in small lateral deflections of the truss due to low-strain at Euler buckling of the slender graphite/epoxy truss column elements. Lateral thermal deflections are found to be a fraction of the truss depth using graphite/epoxy columns.

  10. Seven Wonders of the Ancient and Modern Quadratic World.

    ERIC Educational Resources Information Center

    Taylor, Sharon E.; Mittag, Kathleen Cage

    2001-01-01

    Presents four methods for solving a quadratic equation using graphing calculator technology: (1) graphing with the CALC feature; (2) quadratic formula program; (3) table; and (4) solver. Includes a worksheet for a lab activity on factoring quadratic equations. (KHR)

  11. Tetrahedral homonuclear organoelement clusters and subhalides of aluminium, gallium and indium

    NASA Astrophysics Data System (ADS)

    Uhl, Werner

    This review is focused on the synthesis and the reactivity of tetrahedral organoelement clusters of the heavier elements of third main-group aluminium, gallium, and indium, which have been known for about a decade. They possess the elements in an unusually low oxidation state of +1 and have direct element-element interactions between their four constituents. Each cluster atom is further attached to one terminal and in most cases a bulky organic substituent, which prevents disproportionation by steric shielding. The synthesis of these compounds succeeds by different methods such as the reduction of suitable organoelement(III) halides with alkali metals and magnesium or the treatment of element(I) halides with lithium organyls. They are deeply coloured, and their bonding situation may best be described by delocalized molecular orbitals. They show a singular chemical reactivity, which results in the formation of many secondary products possessing unprecedented structures and properties. The synthesis of organoelement subhalides still containing the elements in low oxidation states is discussed in more detail in the second part of this review. These compounds are easily accessible by the careful oxidation of the clusters with halogen donors such as hexachloroethane or with AlX3/X2 mixtures. They produce dimers via halogen bridges, but in certain cases monomers were observed even for the solid state. They are very effective starting compounds for secondary reactions and the generation of new products containing the elements in unusual oxidation states by salt-elimination reactions, for instance.

  12. Transition Strength Ratios in the Tetrahedral Candidate ^156Dy

    NASA Astrophysics Data System (ADS)

    Hartley, D. J.; Riedinger, L. L.; Curien, D.; Dudek, J.; Gall, B.; Allmond, J. M.; Beausang, C. W.; Carpenter, M. P.; Chiara, C. J.; Janssens, R. V. F.; Kondev, F. G.; Lauritsen, T.; McCutchan, E. A.; Stefanescu, I.; Zhu, S.; Garrett, P. E.; Kulp, W. D.; Wood, J. L.; Mazurek, K.; Riley, M. A.; Wang, X.; Schunck, N.; Yu, C.-H.; Sharpey-Schafer, J.; Simpson, J.

    2009-10-01

    A new symmetry has been recently proposed where nuclei may stabilize in a tetrahedral (pyramid) shape. One of the consequences of this symmetry is that the transition strength, B(E2), of the inband transitions should approach zero in the ideal case. Thus, one signal of this exotic shape would be a rotational band where the inband E2 transitions are extremely weak or nonexistent. Such bands exist in many of the lowest negative-parity bands in the N 90 nuclei, which is also a predicted ``magic" region for tetrahedral symmetry. A Gammasphere experiment was performed to measure the B(E2)/B(E1) ratios of such a negative-parity band in ^156Dy. The results (which are consistent with the theory) will be presented, as well as a discussion of the proposed follow-up experiment to directly measure the B(E2) rates.

  13. Quality Tetrahedral Mesh Smoothing via Boundary-Optimized Delaunay Triangulation.

    PubMed

    Gao, Zhanheng; Yu, Zeyun; Holst, Michael

    2012-12-01

    Despite its great success in improving the quality of a tetrahedral mesh, the original optimal Delaunay triangulation (ODT) is designed to move only inner vertices and thus cannot handle input meshes containing "bad" triangles on boundaries. In the current work, we present an integrated approach called boundary-optimized Delaunay triangulation (B-ODT) to smooth (improve) a tetrahedral mesh. In our method, both inner and boundary vertices are repositioned by analytically minimizing the error between a paraboloid function and its piecewise linear interpolation over the neighborhood of each vertex. In addition to the guaranteed volume-preserving property, the proposed algorithm can be readily adapted to preserve sharp features in the original mesh. A number of experiments are included to demonstrate the performance of our method.

  14. Coarse-grained theory of a realistic tetrahedral liquid model

    NASA Astrophysics Data System (ADS)

    Procaccia, I.; Regev, I.

    2012-02-01

    Tetrahedral liquids such as water and silica-melt show unusual thermodynamic behavior such as a density maximum and an increase in specific heat when cooled to low temperatures. Previous work had shown that Monte Carlo and mean-field solutions of a lattice model can exhibit these anomalous properties with or without a phase transition, depending on the values of the different terms in the Hamiltonian. Here we use a somewhat different approach, where we start from a very popular empirical model of tetrahedral liquids —the Stillinger-Weber model— and construct a coarse-grained theory which directly quantifies the local structure of the liquid as a function of volume and temperature. We compare the theory to molecular-dynamics simulations and show that the theory can rationalize the simulation results and the anomalous behavior.

  15. Tetrahedrally coordinated carbonates in Earth’s lower mantle

    NASA Astrophysics Data System (ADS)

    Boulard, Eglantine; Pan, Ding; Galli, Giulia; Liu, Zhenxian; Mao, Wendy L.

    2015-02-01

    Carbonates are the main species that bring carbon deep into our planet through subduction. They are an important rock-forming mineral group, fundamentally distinct from silicates in the Earth’s crust in that carbon binds to three oxygen atoms, while silicon is bonded to four oxygens. Here we present experimental evidence that under the sufficiently high pressures and high temperatures existing in the lower mantle, ferromagnesian carbonates transform to a phase with tetrahedrally coordinated carbons. Above 80 GPa, in situ synchrotron infrared experiments show the unequivocal spectroscopic signature of the high-pressure phase of (Mg,Fe)CO3. Using ab-initio calculations, we assign the new infrared signature to C-O bands associated with tetrahedrally coordinated carbon with asymmetric C-O bonds. Tetrahedrally coordinated carbonates are expected to exhibit substantially different reactivity than low-pressure threefold coordinated carbonates, as well as different chemical properties in the liquid state. Hence, this may have significant implications for carbon reservoirs and fluxes, and the global geodynamic carbon cycle.

  16. Quantum integrability of quadratic Killing tensors

    SciTech Connect

    Duval, C.; Valent, G.

    2005-05-01

    Quantum integrability of classical integrable systems given by quadratic Killing tensors on curved configuration spaces is investigated. It is proven that, using a 'minimal' quantization scheme, quantum integrability is ensured for a large class of classic examples.

  17. Schur Stability Regions for Complex Quadratic Polynomials

    ERIC Educational Resources Information Center

    Cheng, Sui Sun; Huang, Shao Yuan

    2010-01-01

    Given a quadratic polynomial with complex coefficients, necessary and sufficient conditions are found in terms of the coefficients such that all its roots have absolute values less than 1. (Contains 3 figures.)

  18. The explicit dependence of quadrat variance on the ratio of clump size to quadrat size.

    PubMed

    Ferrandino, Francis J

    2005-05-01

    ABSTRACT In the past decade, it has become common practice to pool mapped binary epidemic data into quadrats. The resultant "quadrat counts" can then be analyzed by fitting them to a probability distribution (i.e., betabinomial). Often a binary form of Taylor's power law is used to relate the quadrat variance to the quadrat mean. The fact that there is an intrinsic dependence of such analyses on quadrat size and shape is well known. However, a clear-cut exposition of the direct connection between the spatial properties of the two-dimensional pattern of infected plants in terms of the geometry of the quadrat and the results of quadrat-based analyses is lacking. This problem was examined both empirically and analytically. The empirical approach is based on a set of stochastically generated "mock epidemics" using a Neyman-Scott cluster process. The resultant spatial point-patterns of infected plants have a fixed number of disease foci characterized by a known length scale (monodisperse) and saturated to a known disease level. When quadrat samples of these epidemics are fit to a beta-binomial distribution, the resulting measures of aggregation are totally independent of disease incidence and most strongly dependent on the ratio of the length scale of the quadrat to the length scale of spatial aggregation and to a lesser degree on disease saturation within individual foci. For the analytical approach, the mathematical form for the variation in the sum of random variates is coupled to the geometry of a quadrat through an assumed exponential autocorrelation function. The net result is an explicit equation expressing the intraquadrat correlation, quadrat variance, and the index of dispersion in terms of the ratio of the quadrat length scale to the correlative length scale.

  19. On ideal structure in quadratic DDS in R{sup 2}

    SciTech Connect

    Kutnjak, Milan

    2008-11-13

    We consider the dynamics in a special case of two-dimensional quadratic homogeneous discrete dynamical systems. It is well known (c.f. [1, 2]) that homogeneous quadratic maps are in one to one correspondence with two-dimensional commutative (nonassociative) algebras. Algebraic concepts (such as the structure of algebra and existence of special elements like idempotents and nilpotents) help us to study the dynamics of the corresponding discrete homogeneous quadratic maps. It is well-known that such systems can exhibit chaotic behavior [3], In this article we consider the influence of the existence of an algebra ideal on the dynamics of the corresponding discrete homogeneous quadratic system. We also present some examples in the plane.

  20. Optimal channels for channelized quadratic estimators.

    PubMed

    Kupinski, Meredith K; Clarkson, Eric

    2016-06-01

    We present a new method for computing optimized channels for estimation tasks that is feasible for high-dimensional image data. Maximum-likelihood (ML) parameter estimates are challenging to compute from high-dimensional likelihoods. The dimensionality reduction from M measurements to L channels is a critical advantage of channelized quadratic estimators (CQEs), since estimating likelihood moments from channelized data requires smaller sample sizes and inverting a smaller covariance matrix is easier. The channelized likelihood is then used to form ML estimates of the parameter(s). In this work we choose an imaging example in which the second-order statistics of the image data depend upon the parameter of interest: the correlation length. Correlation lengths are used to approximate background textures in many imaging applications, and in these cases an estimate of the correlation length is useful for pre-whitening. In a simulation study we compare the estimation performance, as measured by the root-mean-squared error (RMSE), of correlation length estimates from CQE and power spectral density (PSD) distribution fitting. To abide by the assumptions of the PSD method we simulate an ergodic, isotropic, stationary, and zero-mean random process. These assumptions are not part of the CQE formalism. The CQE method assumes a Gaussian channelized likelihood that can be a valid for non-Gaussian image data, since the channel outputs are formed from weighted sums of the image elements. We have shown that, for three or more channels, the RMSE of CQE estimates of correlation length is lower than conventional PSD estimates. We also show that computing CQE by using a standard nonlinear optimization method produces channels that yield RMSE within 2% of the analytic optimum. CQE estimates of anisotropic correlation length estimation are reported to demonstrate this technique on a two-parameter estimation problem. PMID:27409452

  1. A stabilized mixed finite element method for shear-rate dependent non-Newtonian fluids: 3D benchmark problems and application to blood flow in bifurcating arteries

    NASA Astrophysics Data System (ADS)

    Kwack, JaeHyuk; Masud, Arif

    2014-04-01

    This paper presents a stabilized mixed finite element method for shear-rate dependent fluids. The nonlinear viscosity field is a function of the shear-rate and varies uniformly in space and in time. The stabilized form is developed via application of Variational Multiscale (VMS) framework to the underlying generalized Navier-Stokes equation. Linear and quadratic tetrahedral and hexahedral elements are employed with equal-order interpolations for the velocity and pressure fields. A variety of benchmark problems are solved to assess the stability and accuracy properties of the resulting method. The method is then applied to non-Newtonian shear-rate dependent flows in bifurcating artery geometry, and significant non-Newtonian fluid effects are observed. A comparative study of the proposed method shows that the additional computational costs due to the nonlinear shear-rate dependent viscosity are only ten percent more than the computational cost for a Newtonian model.

  2. Schwarz and multilevel methods for quadratic spline collocation

    SciTech Connect

    Christara, C.C.; Smith, B.

    1994-12-31

    Smooth spline collocation methods offer an alternative to Galerkin finite element methods, as well as to Hermite spline collocation methods, for the solution of linear elliptic Partial Differential Equations (PDEs). Recently, optimal order of convergence spline collocation methods have been developed for certain degree splines. Convergence proofs for smooth spline collocation methods are generally more difficult than for Galerkin finite elements or Hermite spline collocation, and they require stronger assumptions and more restrictions. However, numerical tests indicate that spline collocation methods are applicable to a wider class of problems, than the analysis requires, and are very competitive to finite element methods, with respect to efficiency. The authors will discuss Schwarz and multilevel methods for the solution of elliptic PDEs using quadratic spline collocation, and compare these with domain decomposition methods using substructuring. Numerical tests on a variety of parallel machines will also be presented. In addition, preliminary convergence analysis using Schwarz and/or maximum principle techniques will be presented.

  3. The Factorability of Quadratics: Motivation for More Techniques

    ERIC Educational Resources Information Center

    Bosse, Michael J.; Nandakumar, N. R.

    2005-01-01

    Typically, secondary and college algebra students attempt to utilize either completing the square or the quadratic formula as techniques to solve a quadratic equation only after frustration with factoring has arisen. While both completing the square and the quadratic formula are techniques which can determine solutions for all quadratic equations,…

  4. Self-assembly of a tetrahedral 58-nuclear barium vanadium oxide cluster.

    PubMed

    Kastner, Katharina; Puscher, Bianka; Streb, Carsten

    2013-01-01

    We report the synthesis and characterization of a molecular barium vanadium oxide cluster featuring high nuclearity and high symmetry. The tetrameric, 2.3 nm cluster H(5)[Ba(10)(NMP)(14)(H(2)O)(8)[V(12)O(33)](4)Br] is based on a bromide-centred, octahedral barium scaffold which is capped by four previously unknown [V(12)O(33)](6-) clusters in a tetrahedral fashion. The compound represents the largest polyoxovanadate-based heterometallic cluster known to date. The cluster is formed in organic solution and it is suggested that the bulky N-methyl-2-pyrrolidone (NMP) solvent ligands allow the isolation of this giant molecule and prevent further condensation to a solid-state metal oxide. The cluster is fully characterized using single-crystal XRD, elemental analysis, ESI mass spectrometry and other spectroscopic techniques.

  5. An assessment of the adaptive unstructured tetrahedral grid, Euler Flow Solver Code FELISA

    NASA Technical Reports Server (NTRS)

    Djomehri, M. Jahed; Erickson, Larry L.

    1994-01-01

    A three-dimensional solution-adaptive Euler flow solver for unstructured tetrahedral meshes is assessed, and the accuracy and efficiency of the method for predicting sonic boom pressure signatures about simple generic models are demonstrated. Comparison of computational and wind tunnel data and enhancement of numerical solutions by means of grid adaptivity are discussed. The mesh generation is based on the advancing front technique. The FELISA code consists of two solvers, the Taylor-Galerkin and the Runge-Kutta-Galerkin schemes, both of which are spacially discretized by the usual Galerkin weighted residual finite-element methods but with different explicit time-marching schemes to steady state. The solution-adaptive grid procedure is based on either remeshing or mesh refinement techniques. An alternative geometry adaptive procedure is also incorporated.

  6. Delaunay Tetrahedralization of the Heart Based on Integration of Open Source Codes

    NASA Astrophysics Data System (ADS)

    Pavarino, E.; Neves, L. A.; Machado, J. M.; de Godoy, M. F.; Shiyou, Y.; Momente, J. C.; Zafalon, G. F. D.; Pinto, A. R.; Valêncio, C. R.; do Nascimento, M. Z.

    2014-03-01

    The Finite Element Method (FEM) is a way of numerical solution applied in different areas, as simulations used in studies to improve cardiac ablation procedures. For this purpose, the meshes should have the same size and histological features of the focused structures. Some methods and tools used to generate tetrahedral meshes are limited mainly by the use conditions. In this paper, the integration of Open Source Softwares is presented as an alternative to solid modeling and automatic mesh generation. To demonstrate its efficiency, the cardiac structures were considered as a first application context: atriums, ventricles, valves, arteries and pericardium. The proposed method is feasible to obtain refined meshes in an acceptable time and with the required quality for simulations using FEM.

  7. Water and other tetrahedral liquids: order, anomalies and solvation.

    PubMed

    Jabes, B Shadrack; Nayar, Divya; Dhabal, Debdas; Molinero, Valeria; Chakravarty, Charusita

    2012-07-18

    In order to understand the common features of tetrahedral liquids with water-like anomalies, the relationship between local order and anomalies has been studied using molecular dynamics simulations for three categories of such liquids: (a) atomistic rigid-body models for water (TIP4P, TIP4P/2005, mTIP3P, SPC/E), (b) ionic melts, BeF(2) (TRIM model) and SiO(2) (BKS potential) and (c) Stillinger-Weber liquids parametrized to model water (mW) and silicon. Rigid-body, atomistic models for water and the Stillinger-Weber liquids show a strong correlation between tetrahedral and pair correlation order and the temperature for the onset of the density anomaly is close to the melting temperature. In contrast, the ionic melts show weaker and more variable degrees of correlation between tetrahedral and pair correlation metrics, and the onset temperature for the density anomaly is more than twice the melting temperature. In the case of water, the relationship between water-like anomalies and solvation is studied by examining the hydration of spherical solutes (Na(+), Cl(-), Ar) in water models with different temperature regimes of anomalies (SPC/E, TIP4P and mTIP3P). For both ionic and nonpolar solutes, the local structure and energy of water molecules is essentially the same as in bulk water beyond the second-neighbour shell. The local order and binding energy of water molecules are not perturbed by the presence of a hydrophobic solute. In the case of ionic solutes, the perturbation is largely localized within the first hydration shell. The binding energies for the ions are strongly dependent on the water models and clearly indicate that the geometry of the partial charge distributions, and the associated multipole moments, play an important role. However the anomalous behaviour of the water network has been found to be unimportant for polar solvation.

  8. Practical implementation of tetrahedral mesh reconstruction in emission tomography.

    PubMed

    Boutchko, R; Sitek, A; Gullberg, G T

    2013-05-01

    This paper presents a practical implementation of image reconstruction on tetrahedral meshes optimized for emission computed tomography with parallel beam geometry. Tetrahedral mesh built on a point cloud is a convenient image representation method, intrinsically three-dimensional and with a multi-level resolution property. Image intensities are defined at the mesh nodes and linearly interpolated inside each tetrahedron. For the given mesh geometry, the intensities can be computed directly from tomographic projections using iterative reconstruction algorithms with a system matrix calculated using an exact analytical formula. The mesh geometry is optimized for a specific patient using a two stage process. First, a noisy image is reconstructed on a finely-spaced uniform cloud. Then, the geometry of the representation is adaptively transformed through boundary-preserving node motion and elimination. Nodes are removed in constant intensity regions, merged along the boundaries, and moved in the direction of the mean local intensity gradient in order to provide higher node density in the boundary regions. Attenuation correction and detector geometric response are included in the system matrix. Once the mesh geometry is optimized, it is used to generate the final system matrix for ML-EM reconstruction of node intensities and for visualization of the reconstructed images. In dynamic PET or SPECT imaging, the system matrix generation procedure is performed using a quasi-static sinogram, generated by summing projection data from multiple time frames. This system matrix is then used to reconstruct the individual time frame projections. Performance of the new method is evaluated by reconstructing simulated projections of the NCAT phantom and the method is then applied to dynamic SPECT phantom and patient studies and to a dynamic microPET rat study. Tetrahedral mesh-based images are compared to the standard voxel-based reconstruction for both high and low signal-to-noise ratio

  9. Novel biomedical tetrahedral mesh methods: algorithms and applications

    NASA Astrophysics Data System (ADS)

    Yu, Xiao; Jin, Yanfeng; Chen, Weitao; Huang, Pengfei; Gu, Lixu

    2007-12-01

    Tetrahedral mesh generation algorithm, as a prerequisite of many soft tissue simulation methods, becomes very important in the virtual surgery programs because of the real-time requirement. Aiming to speed up the computation in the simulation, we propose a revised Delaunay algorithm which makes a good balance of quality of tetrahedra, boundary preservation and time complexity, with many improved methods. Another mesh algorithm named Space-Disassembling is also presented in this paper, and a comparison of Space-Disassembling, traditional Delaunay algorithm and the revised Delaunay algorithm is processed based on clinical soft-tissue simulation projects, including craniofacial plastic surgery and breast reconstruction plastic surgery.

  10. Search for Fingerprints of Tetrahedral Symmetry in ^{156}Gd

    SciTech Connect

    Doan, Q. T.; Curien, D.; Stezowski, O.; Dudek, J.; Mazurek, K.; Gozdz, A.; Piot, J.; Duchene, G.; Gall, B.; Molique, H.; Richet, M.; Medina, P.; Guinet, D.; Redon, N.; Schmitt, Ch.; Jones, P.; Peura, P.; Ketelhut, S.; Nyman, M.; Jakobsson, U.; Greenlees, P. T.; Julin, R.; Juutinen, S.; Rahkila, P.; Maj, A.; Zuber, K.; Bednarczyk, P.; Schunck, Nicolas F; Dobaczewski, J.; Astier, A.; Deloncle, I.; Verney, D.; Gerl, J.

    2009-01-01

    Theoretical predictions suggest the presence of tetrahedral symmetry as an explanation for the vanishing intra-band E2 transitions at the bottom of the odd-spin negative-parity band in ^{156}Gd. The present study reports on experiment performed to address this phenomenon. It allowed to remove certain ambiguities related to the intra-band E2 transitions in the negative-parity bands to determine the new inter-band transitions and reduced probability ratios B(E2)/B(E1) and, for the first time, to determine the experimental uncertainties related to the latter observable.

  11. Fast Approximate Quadratic Programming for Graph Matching

    PubMed Central

    Vogelstein, Joshua T.; Conroy, John M.; Lyzinski, Vince; Podrazik, Louis J.; Kratzer, Steven G.; Harley, Eric T.; Fishkind, Donniell E.; Vogelstein, R. Jacob; Priebe, Carey E.

    2015-01-01

    Quadratic assignment problems arise in a wide variety of domains, spanning operations research, graph theory, computer vision, and neuroscience, to name a few. The graph matching problem is a special case of the quadratic assignment problem, and graph matching is increasingly important as graph-valued data is becoming more prominent. With the aim of efficiently and accurately matching the large graphs common in big data, we present our graph matching algorithm, the Fast Approximate Quadratic assignment algorithm. We empirically demonstrate that our algorithm is faster and achieves a lower objective value on over 80% of the QAPLIB benchmark library, compared with the previous state-of-the-art. Applying our algorithm to our motivating example, matching C. elegans connectomes (brain-graphs), we find that it efficiently achieves performance. PMID:25886624

  12. Quadratic forms of projective spaces over rings

    NASA Astrophysics Data System (ADS)

    Levchuk, V. M.; Starikova, O. A.

    2006-06-01

    In the passage from fields to rings of coefficients quadratic forms with invertible matrices lose their decisive role. It turns out that if all quadratic forms over a ring are diagonalizable, then in effect this is always a local principal ideal ring R with 2\\in R^*. The problem of the construction of a `normal' diagonal form of a quadratic form over a ring R faces obstacles in the case of indices \\vert R^*:R^{*2}\\vert greater than 1. In the case of index 2 this problem has a solution given in Theorem 2.1 for 1+R^{*2}\\subseteq R^{*2} (an extension of the law of inertia for real quadratic forms) and in Theorem 2.2 for 1+R^2 containing an invertible non-square. Under the same conditions on a ring R with nilpotent maximal ideal the number of classes of projectively congruent quadratic forms of the projective space associated with a free R-module of rank n is explicitly calculated (Proposition 3.2). Up to projectivities, the list of forms is presented for the projective plane over R and also (Theorem 3.3) over the local ring F\\lbrack\\lbrack x,y\\rbrack\\rbrack/\\langle x^{2},xy,y^{2}\\rangle with non-principal maximal ideal, where F=2F is a field with an invertible non-square in 1+F^{2} and \\vert F^{*}:F^{*2}\\vert=2. In the latter case the number of classes of non-diagonalizable quadratic forms of rank 0 depends on one's choice of the field F and is not even always finite; all the other forms make up 21 classes.

  13. Quadratic-Like Dynamics of Cubic Polynomials

    NASA Astrophysics Data System (ADS)

    Blokh, Alexander; Oversteegen, Lex; Ptacek, Ross; Timorin, Vladlen

    2016-02-01

    A small perturbation of a quadratic polynomial f with a non-repelling fixed point gives a polynomial g with an attracting fixed point and a Jordan curve Julia set, on which g acts like angle doubling. However, there are cubic polynomials with a non-repelling fixed point, for which no perturbation results into a polynomial with Jordan curve Julia set. Motivated by the study of the closure of the Cubic Principal Hyperbolic Domain, we describe such polynomials in terms of their quadratic-like restrictions.

  14. On orthogonality preserving quadratic stochastic operators

    NASA Astrophysics Data System (ADS)

    Mukhamedov, Farrukh; Taha, Muhammad Hafizuddin Mohd

    2015-05-01

    A quadratic stochastic operator (in short QSO) is usually used to present the time evolution of differing species in biology. Some quadratic stochastic operators have been studied by Lotka and Volterra. In the present paper, we first give a simple characterization of Volterra QSO in terms of absolutely continuity of discrete measures. Further, we introduce a notion of orthogonal preserving QSO, and describe such kind of operators defined on two dimensional simplex. It turns out that orthogonal preserving QSOs are permutations of Volterra QSO. The associativity of genetic algebras generated by orthogonal preserving QSO is studied too.

  15. Quintessence with quadratic coupling to dark matter

    SciTech Connect

    Boehmer, Christian G.; Chan, Nyein; Caldera-Cabral, Gabriela; Lazkoz, Ruth; Maartens, Roy

    2010-04-15

    We introduce a new form of coupling between dark energy and dark matter that is quadratic in their energy densities. Then we investigate the background dynamics when dark energy is in the form of exponential quintessence. The three types of quadratic coupling all admit late-time accelerating critical points, but these are not scaling solutions. We also show that two types of coupling allow for a suitable matter era at early times and acceleration at late times, while the third type of coupling does not admit a suitable matter era.

  16. On orthogonality preserving quadratic stochastic operators

    SciTech Connect

    Mukhamedov, Farrukh; Taha, Muhammad Hafizuddin Mohd

    2015-05-15

    A quadratic stochastic operator (in short QSO) is usually used to present the time evolution of differing species in biology. Some quadratic stochastic operators have been studied by Lotka and Volterra. In the present paper, we first give a simple characterization of Volterra QSO in terms of absolutely continuity of discrete measures. Further, we introduce a notion of orthogonal preserving QSO, and describe such kind of operators defined on two dimensional simplex. It turns out that orthogonal preserving QSOs are permutations of Volterra QSO. The associativity of genetic algebras generated by orthogonal preserving QSO is studied too.

  17. Guises and disguises of quadratic divergences

    SciTech Connect

    Cherchiglia, A.L.; Vieira, A.R.; Hiller, Brigitte; Baêta Scarpelli, A.P.; Sampaio, Marcos

    2014-12-15

    In this contribution, we present a new perspective on the control of quadratic divergences in quantum field theory, in general, and in the Higgs naturalness problem, in particular. Our discussion is essentially based on an approach where UV divergences are parameterized, after being reduced to basic divergent integrals (BDI) in one internal momentum, as functions of a cutoff and a renormalization group scale λ. We illustrate our proposal with well-known examples, such as the gluon vacuum self energy of QCD and the Higgs decay in two photons within this approach. We also discuss frameworks in effective low-energy QCD models, where quadratic divergences are indeed fundamental.

  18. Surface-induced crystallization in supercooled tetrahedral liquids.

    PubMed

    Li, Tianshu; Donadio, Davide; Ghiringhelli, Luca M; Galli, Giulia

    2009-09-01

    Surfaces have long been known to have an intricate role in solid-liquid phase transformations. Whereas melting is often observed to originate at surfaces, freezing usually starts in the bulk, and only a few systems have been reported to exhibit signatures of surface-induced crystallization. These include assembly of chain-like molecules, some liquid metals and alloys and silicate glasses. Here, we report direct computational evidence of surface-induced nucleation in supercooled liquid silicon and germanium, and we illustrate the crucial role of free surfaces in the freezing process of tetrahedral liquids exhibiting a negative slope of their melting lines (dT/dP|coexist<0). Our molecular dynamics simulations show that the presence of free surfaces may enhance the nucleation rates by several orders of magnitude with respect to those found in the bulk. Our findings provide insight, at the atomistic level, into the nucleation mechanism of widely used semiconductors, and support the hypothesis of surface-induced crystallization in other tetrahedrally coordinated systems, in particular water in the atmosphere. PMID:19668207

  19. Encapsulation of Halocarbons in a Tetrahedral Anion Cage.

    PubMed

    Yang, Dong; Zhao, Jie; Zhao, Yanxia; Lei, Yibo; Cao, Liping; Yang, Xiao-Juan; Davi, Martin; Amadeu, Nader de Sousa; Janiak, Christoph; Zhang, Zhibin; Wang, Yao-Yu; Wu, Biao

    2015-07-20

    Caged supramolecular systems are promising hosts for guest inclusion, separation, and stabilization. Well-studied examples are mainly metal-coordination-based or covalent architectures. An anion-coordination-based cage that is capable of encapsulating halocarbon guests is reported for the first time. This A4L4-type (A=anion) tetrahedral cage, [(PO4)4L4](12-), assembled from a C3-symmetric tris(bisurea) ligand (L) and phosphate ion (PO4(3-)), readily accommodates a series of quasi-tetrahedral halocarbons, such as the Freon components CFCl3, CF2Cl2, CHFCl2, and C(CH3)F3, and chlorocarbons CH2Cl2, CHCl3, CCl4, C(CH3)Cl3, C(CH3)2Cl2, and C(CH3)3Cl. The guest encapsulation in the solid state is confirmed by crystal structures, while the host-guest interactions in solution were demonstrated by NMR techniques. PMID:26053734

  20. An inner-outer nonlinear programming approach for constrained quadratic matrix model updating

    NASA Astrophysics Data System (ADS)

    Andretta, M.; Birgin, E. G.; Raydan, M.

    2016-01-01

    The Quadratic Finite Element Model Updating Problem (QFEMUP) concerns with updating a symmetric second-order finite element model so that it remains symmetric and the updated model reproduces a given set of desired eigenvalues and eigenvectors by replacing the corresponding ones from the original model. Taking advantage of the special structure of the constraint set, it is first shown that the QFEMUP can be formulated as a suitable constrained nonlinear programming problem. Using this formulation, a method based on successive optimizations is then proposed and analyzed. To avoid that spurious modes (eigenvectors) appear in the frequency range of interest (eigenvalues) after the model has been updated, additional constraints based on a quadratic Rayleigh quotient are dynamically included in the constraint set. A distinct practical feature of the proposed method is that it can be implemented by computing only a few eigenvalues and eigenvectors of the associated quadratic matrix pencil.

  1. The Space-Time Conservative Schemes for Large-Scale, Time-Accurate Flow Simulations with Tetrahedral Meshes

    NASA Technical Reports Server (NTRS)

    Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung

    2016-01-01

    Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.

  2. Evaluation of a Kinematically-Driven Finite Element Footstrike Model.

    PubMed

    Hannah, Iain; Harland, Andy; Price, Dan; Schlarb, Heiko; Lucas, Tim

    2016-06-01

    A dynamic finite element model of a shod running footstrike was developed and driven with 6 degree of freedom foot segment kinematics determined from a motion capture running trial. Quadratic tetrahedral elements were used to mesh the footwear components with material models determined from appropriate mechanical tests. Model outputs were compared with experimental high-speed video (HSV) footage, vertical ground reaction force (GRF), and center of pressure (COP) excursion to determine whether such an approach is appropriate for the development of athletic footwear. Although unquantified, good visual agreement to the HSV footage was observed but significant discrepancies were found between the model and experimental GRF and COP readings (9% and 61% of model readings outside of the mean experimental reading ± 2 standard deviations, respectively). Model output was also found to be highly sensitive to input kinematics with a 120% increase in maximum GRF observed when translating the force platform 2 mm vertically. While representing an alternative approach to existing dynamic finite element footstrike models, loading highly representative of an experimental trial was not found to be achievable when employing exclusively kinematic boundary conditions. This significantly limits the usefulness of employing such an approach in the footwear development process.

  3. Curious Consequences of a Miscopied Quadratic

    ERIC Educational Resources Information Center

    Poet, Jeffrey L.; Vestal, Donald L., Jr.

    2005-01-01

    The starting point of this article is a search for pairs of quadratic polynomials x[superscript 2] + bx plus or minus c with the property that they both factor over the integers. The search leads quickly to some number theory in the form of primitive Pythagorean triples, and this paper develops the connection between these two topics.

  4. Integration of the Quadratic Function and Generalization

    ERIC Educational Resources Information Center

    Mitsuma, Kunio

    2011-01-01

    We will first recall useful formulas in integration that simplify the calculation of certain definite integrals with the quadratic function. A main formula relies only on the coefficients of the function. We will then explore a geometric proof of one of these formulas. Finally, we will extend the formulas to more general cases. (Contains 3…

  5. Interpenetrating metal-organic frameworks formed by self-assembly of tetrahedral and octahedral building blocks

    NASA Astrophysics Data System (ADS)

    Lu, Yong-Ming; Lan, Ya-Qian; Xu, Yan-Hong; Su, Zhong-Min; Li, Shun-Li; Zang, Hong-Ying; Xu, Guang-Juan

    2009-11-01

    To investigate the relationship between topological types and molecular building blocks (MBBs), we have designed and synthesized a series of three-dimensional (3D) interpenetrating metal-organic frameworks based on different polygons or polyhedra under hydrothermal conditions, namely [Cd(bpib) 0.5(L 1)] ( 1), [Cd(bpib) 0.5(L 2)]·H 2O ( 2), [Cd(bpib) 0.5(L 3)] ( 3) and [Cd(bib) 0.5(L 1)] ( 4), where bpib=1,4-bis(2-(pyridin-2-yl)-1 H-imidazol-1-yl)butane, bib=1,4-bis(1 H-imidazol-1-yl)butane, H 2L 1=4-(4-carboxybenzyloxy)benzoic acid, H 2L 2=4,4'-(ethane-1,2-diylbis(oxy))dibenzoic acid and H 2L 3=4,4'-(1,4-phenylenebis(methylene))bis(oxy)dibenzoic acid, respectively. Their structures have been determined by single crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, and thermogravimetric (TG) analyses. Compounds 1- 3 display α-Po topological nets with different degrees of interpenetration based on the similar octahedral [Cd 2(-COO) 4] building blocks. Compound 4 is a six-fold interpenetrating diamondoid net based on tetrahedral MBBs. By careful inspection of these structures, we find that various carboxylic ligands and N-donor ligands with different coordination modes and conformations, and metal centers with different geometries are important for the formation of the different MBBs. It is believed that different topological types lie on different MBBs with various polygons or polyhedra. Such as four- and six-connected topologies are formed by tetrahedral and octahedral building blocks. In addition, with the increase of carboxylic ligands' length, the degrees of interpenetration have been changed in the α-Po topological nets. And the luminescent properties of these compounds have been investigated in detail.

  6. Nuclear tetrahedral symmetry: possibly present throughout the periodic table.

    PubMed

    Dudek, J; Goźdź, A; Schunck, N; Miśkiewicz, M

    2002-06-24

    More than half a century after the fundamental, spherical shell structure in nuclei had been established, theoretical predictions indicated that the shell gaps comparable or even stronger than those at spherical shapes may exist. Group-theoretical analysis supported by realistic mean-field calculations indicate that the corresponding nuclei are characterized by the TD(d) ("double-tetrahedral") symmetry group. Strong shell-gap structure is enhanced by the existence of the four-dimensional irreducible representations of TD(d); it can be seen as a geometrical effect that does not depend on a particular realization of the mean field. Possibilities of discovering the TD(d) symmetry in experiment are discussed.

  7. Near-field Raman spectroscopy using a tetrahedral SNOM tip

    NASA Astrophysics Data System (ADS)

    Klein, Stefan; Reichert, Joachim; Fuchs, Harald; Fischer, Ulrich

    2006-04-01

    An example of near-field Raman spectroscopy based on the tip-enhancement at an apertureless tetrahedral scanning near-field optical tip (t-tip) is presented. Tip-enhanced Raman spectroscopy (TERS) is based on the excitation of localized surface plasmons (LSP) in the cavity of tip and surface. The LSP provide a highly confined and large field enhancement at the tip apex which allows molecular spectroscopy at the nanoscale. The t-tip consists, in contrast to other TERS configurations which use opaque tips, of a gold coated glass tip which is irradiated from the inside. We demonstrate TERS spectra of the dye malachite green isothiocyanate and show an increased bleaching of the dye in presence of the tip. Data analysis show that the actual experimental conditions support moderate enhancement of the Raman signal.

  8. Slave fermion formalism for the tetrahedral spin chain

    NASA Astrophysics Data System (ADS)

    Mohan, Priyanka; Rao, Sumathi

    2016-09-01

    We use the SU(2) slave fermion approach to study a tetrahedral spin 1/2 chain, which is a one-dimensional generalization of the two dimensional Kitaev honeycomb model. Using the mean field theory, coupled with a gauge fixing procedure to implement the single occupancy constraint, we obtain the phase diagram of the model. We then show that it matches the exact results obtained earlier using the Majorana fermion representation. We also compute the spin-spin correlation in the gapless phase and show that it is a spin liquid. Finally, we map the one-dimensional model in terms of the slave fermions to the model of 1D p-wave superconducting model with complex parameters and show that the parameters of our model fall in the topological trivial regime and hence does not have edge Majorana modes.

  9. A note on the fundamental unit in some types of the real quadratic number fields

    NASA Astrophysics Data System (ADS)

    Özer, Ö.

    2016-10-01

    Let k =Q (√{d }) be a real quadratic numbefield where d > 0 is a positive square-free integer. The map d →Q (√{d }) is a bijection from the set off all square-free integers d ≠ 0, 1 to the set of all quadratic fields Q (√{d })={ x +y √{d }|x ,y ∈Q } . Furthermore, integral basis element of algebraic integer's ring in real quadratic fields is determined by either wd=√{d }=[ a0;a1,a2,⋯,aℓ (d)-1,2 a0 ¯ ] in the case of d ≡ 2,3(mod 4) or wd=1/+√{d } 2 =[ a0;a1,a2,⋯,aℓ (d)-1,2 a0-1 ¯ ] in the case of d ≡ 1(mod 4) where ℓ (d ) is the period length of continued fraction expansion. The purpose of this paper is to obtain classification of some types of real quadratic fields Q (√{d }) , which include the specific form of continued fraction expansion of integral basis element wd, for which has all partial quotient elements are equal to each other and written as ξs (except the last digit of the period) for ξ positive even integer where period length is ℓ =ℓ (d ) and d ≡ 2,3(mod 4) is a square free positive integer. Moreover, the present paper deals with determining new certain parametric formula of fundamental unit ɛd=t/d+ud√{d } 2 >1 with norm N (ɛd)=(-1) ℓ (d ) for such types of real quadratic fields. Besides, Yokoi's d-invariants nd and md in the relation to continued fraction expansion of wd are calculated by using coefficients of fundamental unit. All supported results are given in numerical tables. These new results and tables are not known in the literature of real quadratic fields.

  10. Convex half-quadratic criteria and interacting auxiliary variables for image restoration.

    PubMed

    Idier, J

    2001-01-01

    This paper deals with convex half-quadratic criteria and associated minimization algorithms for the purpose of image restoration. It brings a number of original elements within a unified mathematical presentation based on convex duality. Firstly, the Geman and Yang's and Geman and Reynolds's constructions are revisited, with a view to establishing the convexity properties of the resulting half-quadratic augmented criteria, when the original nonquadratic criterion is already convex. Secondly, a family of convex Gibbsian energies that incorporate interacting auxiliary variables is revealed as a potentially fruitful extension of the Geman and Reynolds's construction.

  11. Time evolution of two-dimensional quadratic Hamiltonians: A Lie algebraic approach

    NASA Astrophysics Data System (ADS)

    Sandoval-Santana, J. C.; Ibarra-Sierra, V. G.; Cardoso, J. L.; Kunold, A.

    2016-04-01

    We develop a Lie algebraic approach to systematically calculate the evolution operator of a system described by a generalized two-dimensional quadratic Hamiltonian with time-dependent coefficients. Although the development of the Lie algebraic approach presented here is mainly motivated by the two-dimensional quadratic Hamiltonian, it may be applied to investigate the evolution operators of any Hamiltonian having a dynamical algebra with a large number of elements. We illustrate the method by finding the propagator and the Heisenberg picture position and momentum operators for a two-dimensional charge subject to uniform and constant electro-magnetic fields.

  12. Geometric Approaches to Quadratic Equations from Other Times and Places.

    ERIC Educational Resources Information Center

    Allaire, Patricia R.; Bradley, Robert E.

    2001-01-01

    Focuses on geometric solutions of quadratic problems. Presents a collection of geometric techniques from ancient Babylonia, classical Greece, medieval Arabia, and early modern Europe to enhance the quadratic equation portion of an algebra course. (KHR)

  13. Why Is the Tetrahedral Bond Angle 109 Degrees? The Tetrahedron-in-a-Cube

    ERIC Educational Resources Information Center

    Lim, Kieran F.

    2012-01-01

    The common question of why the tetrahedral angle is 109.471 degrees can be answered using a tetrahedron-in-a-cube, along with some Year 10 level mathematics. The tetrahedron-in-a-cube can also be used to demonstrate the non-polarity of tetrahedral molecules, the relationship between different types of lattice structures, and to demonstrate that…

  14. Factorization using the quadratic sieve algorithm

    SciTech Connect

    Davis, J.A.; Holdridge, D.B.

    1983-12-01

    Since the cryptosecurity of the RSA two key cryptoalgorithm is no greater than the difficulty of factoring the modulus (product of two secret primes), a code that implements the Quadratic Sieve factorization algorithm on the CRAY I computer has been developed at the Sandia National Laboratories to determine as sharply as possible the current state-of-the-art in factoring. Because all viable attacks on RSA thus far proposed are equivalent to factorization of the modulus, sharper bounds on the computational difficulty of factoring permit improved estimates for the size of RSA parameters needed for given levels of cryptosecurity. Analysis of the Quadratic Sieve indicates that it may be faster than any previously published general purpose algorithm for factoring large integers. The high speed of the CRAY I coupled with the capability of the CRAY to pipeline certain vectorized operations make this algorithm (and code) the front runner in current factoring techniques.

  15. Factorization using the quadratic sieve algorithm

    SciTech Connect

    Davis, J.A.; Holdridge, D.B.

    1983-01-01

    Since the cryptosecurity of the RSA two key cryptoalgorithm is no greater than the difficulty of factoring the modulus (product of two secret primes), a code that implements the Quadratic Sieve factorization algorithm on the CRAY I computer has been developed at the Sandia National Laboratories to determine as sharply as possible the current state-of-the-art in factoring. Because all viable attacks on RSA thus far proposed are equivalent to factorization of the modulus, sharper bounds on the computational difficulty of factoring permit improved estimates for the size of RSA parameters needed for given levels of cryptosecurity. Analysis of the Quadratic Sieve indicates that it may be faster than any previously published general purpose algorithm for factoring large integers. The high speed of the CRAY I coupled with the capability of the CRAY to pipeline certain vectorized operations make this algorithm (and code) the front runner in current factoring techniques.

  16. Convex quadratic optimization on artificial neural networks

    SciTech Connect

    Adler, I.; Verma, S.

    1994-12-31

    We present continuous-valued Hopfield recurrent neural networks on which we map convex quadratic optimization problems. We consider two different convex quadratic programs, each of which is mapped to a different neural network. Activation functions are shown to play a key role in the mapping under each model. The class of activation functions which can be used in this mapping is characterized in terms of the properties needed. It is shown that the first derivatives of penalty as well as barrier functions belong to this class. The trajectories of dynamics under the first model are shown to be closely related to affine-scaling trajectories of interior-point methods. On the other hand, the trajectories of dynamics under the second model correspond to projected steepest descent pathways.

  17. Characterization of a Quadratic Function in Rn

    ERIC Educational Resources Information Center

    Xu, Conway

    2010-01-01

    It is proved that a scalar-valued function "f"(x) defined in "n"-dimensional space must be quadratic, if the intersection of tangent planes at x[subscript 1] and x[subscript 2] always contains the midpoint of the line joining x[subscript 1] and x[subscript 2]. This is the converse of a result of Stenlund proved in this JOURNAL in 2001.

  18. Extended Decentralized Linear-Quadratic-Gaussian Control

    NASA Technical Reports Server (NTRS)

    Carpenter, J. Russell

    2000-01-01

    A straightforward extension of a solution to the decentralized linear-Quadratic-Gaussian problem is proposed that allows its use for commonly encountered classes of problems that are currently solved with the extended Kalman filter. This extension allows the system to be partitioned in such a way as to exclude the nonlinearities from the essential algebraic relationships that allow the estimation and control to be optimally decentralized.

  19. Communications circuit including a linear quadratic estimator

    DOEpatents

    Ferguson, Dennis D.

    2015-07-07

    A circuit includes a linear quadratic estimator (LQE) configured to receive a plurality of measurements a signal. The LQE is configured to weight the measurements based on their respective uncertainties to produce weighted averages. The circuit further includes a controller coupled to the LQE and configured to selectively adjust at least one data link parameter associated with a communication channel in response to receiving the weighted averages.

  20. Quadratic Programming for Allocating Control Effort

    NASA Technical Reports Server (NTRS)

    Singh, Gurkirpal

    2005-01-01

    A computer program calculates an optimal allocation of control effort in a system that includes redundant control actuators. The program implements an iterative (but otherwise single-stage) algorithm of the quadratic-programming type. In general, in the quadratic-programming problem, one seeks the values of a set of variables that minimize a quadratic cost function, subject to a set of linear equality and inequality constraints. In this program, the cost function combines control effort (typically quantified in terms of energy or fuel consumed) and control residuals (differences between commanded and sensed values of variables to be controlled). In comparison with prior control-allocation software, this program offers approximately equal accuracy but much greater computational efficiency. In addition, this program offers flexibility, robustness to actuation failures, and a capability for selective enforcement of control requirements. The computational efficiency of this program makes it suitable for such complex, real-time applications as controlling redundant aircraft actuators or redundant spacecraft thrusters. The program is written in the C language for execution in a UNIX operating system.

  1. THE EFFECTIVENESS OF QUADRATS FOR MEASURING VASCULAR PLANT DIVERSITY

    EPA Science Inventory

    Quadrats are widely used for measuring characteristics of vascular plant communities. It is well recognized that quadrat size affects measurements of frequency and cover. The ability of quadrats of varying sizes to adequately measure diversity has not been established. An exha...

  2. Graphical Solution of the Monic Quadratic Equation with Complex Coefficients

    ERIC Educational Resources Information Center

    Laine, A. D.

    2015-01-01

    There are many geometrical approaches to the solution of the quadratic equation with real coefficients. In this article it is shown that the monic quadratic equation with complex coefficients can also be solved graphically, by the intersection of two hyperbolas; one hyperbola being derived from the real part of the quadratic equation and one from…

  3. High order Godunov mixed methods on tetrahedral meshes for density driven flow simulations in porous media

    NASA Astrophysics Data System (ADS)

    Mazzia, Annamaria; Putti, Mario

    2005-09-01

    Two-dimensional Godunov mixed methods have been shown to be effective for the numerical solution of density-dependent flow and transport problems in groundwater even when concentration gradients are high and the process is dominated by density effects. This class of discretization approaches solves the flow equation by means of the mixed finite element method, thus guaranteeing mass conserving velocity fields, and discretizes the transport equation by mixed finite element and finite volumes techniques combined together via appropriate time splitting. In this paper, we extend this approach to three dimensions employing tetrahedral meshes and introduce a spatially variable time stepping procedure that improves computational efficiency while preserving accuracy by adapting the time step size according to the local Courant-Friedrichs-Lewy (CFL) constraint. Careful attention is devoted to the choice of a truly three-dimensional limiter for the advection equation in the time-splitting technique, so that to preserve second order accuracy in space (in the sense that linear functions are exactly interpolated). The three-dimensional Elder problem and the saltpool problem, recently introduced as a new benchmark for testing three-dimensional density models, provide assessments with respect to accuracy and reliability of this numerical approach.

  4. Multi-Criterion Preliminary Design of a Tetrahedral Truss Platform

    NASA Technical Reports Server (NTRS)

    Wu, K. Chauncey

    1995-01-01

    An efficient method is presented for multi-criterion preliminary design and demonstrated for a tetrahedral truss platform. The present method requires minimal analysis effort and permits rapid estimation of optimized truss behavior for preliminary design. A 14-m-diameter, 3-ring truss platform represents a candidate reflector support structure for space-based science spacecraft. The truss members are divided into 9 groups by truss ring and position. Design variables are the cross-sectional area of all members in a group, and are either 1, 3 or 5 times the minimum member area. Non-structural mass represents the node and joint hardware used to assemble the truss structure. Taguchi methods are used to efficiently identify key points in the set of Pareto-optimal truss designs. Key points identified using Taguchi methods are the maximum frequency, minimum mass, and maximum frequency-to-mass ratio truss designs. Low-order polynomial curve fits through these points are used to approximate the behavior of the full set of Pareto-optimal designs. The resulting Pareto-optimal design curve is used to predict frequency and mass for optimized trusses. Performance improvements are plotted in frequency-mass (criterion) space and compared to results for uniform trusses. Application of constraints to frequency and mass and sensitivity to constraint variation are demonstrated.

  5. TET peptidases: A family of tetrahedral complexes conserved in prokaryotes.

    PubMed

    Appolaire, Alexandre; Colombo, Matteo; Basbous, Hind; Gabel, Frank; Girard, E; Franzetti, Bruno

    2016-03-01

    The TET peptidases are large polypeptide destruction machines present among prokaryotes. They form 12-subunits hollow tetrahedral particles, and belong to the family of M42 metallo-peptidases. Structural characterization of various archaeal and bacterial complexes has revealed a unique mechanism of internal compartmentalization and peptide trafficking that distinguishes them from the other oligomeric peptidases. Different versions of the TET complex often co-exist in the cytosol of microorganisms. In depth enzymatic studies have revealed that they are non-processive cobalt-activated aminopeptidases and display contrasting substrate specificities based on the properties of the catalytic chambers. Recent studies have shed light on the assembly mechanism of homo and hetero-dodecameric TET complexes and shown that the activity of TET aminopeptidase towards polypeptides is coupled with its assembly process. These findings suggested a functional regulation based on oligomerization control in vivo. This review describes a current knowledge on M42 TET peptidases biochemistry and discuss their possible physiological roles. This article is a part of the Special Issue entitled: «A potpourri of proteases and inhibitors: from molecular toolboxes to signalling scissors».

  6. Natural frequency of uniform and optimized tetrahedral truss platforms

    NASA Technical Reports Server (NTRS)

    Wu, K. Chauncey; Lake, Mark S.

    1994-01-01

    Qualitative and quantitative estimates for the fundamental frequency of uniform and optimized tetrahedral truss platforms are determined. A semiempirical equation is developed for the frequency of free-free uniform trusses as a function of member material properties, truss dimensions, and parasitic (nonstructural) mass fraction Mp/Mt. Optimized trusses with frequencies approximately two times those of uniform trusses are determined by varying the cross-sectional areas of member groups. Trusses with 3 to 8 rings, no parasitic mass, and member areas up to 25 times the minimum area are optimized. Frequencies computed for ranges of both Mp/Mt and the ratio of maximum area to minimum area are normalized to the frequency of a uniform truss with no parasitic mass. The normalized frequency increases with the number of rings, and both frequency and the ratio of maximum area to minimum area decrease with increasing Mp/Mt. Frequency improvements that are achievable with a limited number of member areas are estimated for a 3-ring truss by using Taguchi methods. Joint stiffness knockdown effects are also considered. Comparison of optimized and baseline uniform truss frequencies indicates that tailoring can significantly increase structural frequency; maximum gains occur for trusses with low values of Mp/Mt. This study examines frequency trends for ranges of structural parameters and may be used as a preliminary design guide.

  7. Slow dynamics in a primitive tetrahedral network model.

    PubMed

    De Michele, Cristiano; Tartaglia, Piero; Sciortino, Francesco

    2006-11-28

    We report extensive Monte Carlo and event-driven molecular dynamics simulations of the fluid and liquid phase of a primitive model for silica recently introduced by Ford et al. [J. Chem. Phys. 121, 8415 (2004)]. We evaluate the isodiffusivity lines in the temperature-density plane to provide an indication of the shape of the glass transition line. Except for large densities, arrest is driven by the onset of the tetrahedral bonding pattern and the resulting dynamics is strong in Angell's classification scheme [J. Non-Cryst. Solids 131-133, 13 (1991)]. We compare structural and dynamic properties with corresponding results of two recently studied primitive models of network forming liquids-a primitive model for water and an angular-constraint-free model of four-coordinated particles-to pin down the role of the geometric constraints associated with bonding. Eventually we discuss the similarities between "glass" formation in network forming liquids and "gel" formation in colloidal dispersions of patchy particles. PMID:17144726

  8. Theoretical Studies of Routes to Synthesis of Tetrahedral N4

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.

    2007-01-01

    A paper [Chem. Phys. Lett. 345, 295 (2001)] describes theoretical studies of excited electronic states of nitrogen molecules, with a view toward utilizing those states in synthesizing tetrahedral N4, or Td N4 a metastable substance under consideration as a high-energy-density rocket fuel. Several ab initio theoretical approaches were followed in these studies, including complete active space self-consistent field (CASSCF), state-averaged CASSCF (SA-CASSCF), singles configuration interaction (CIS), CIS with second-order and third-order correlation corrections [CIS(D) and CIS(3)], and linear response singles and doubles coupled-cluster (LRCCSD). Standard double zeta polarized and triple zeta double polarized one-particle basis sets were used. The CASSCF calculations overestimated the excitation energies, while SACASSCF calculations partly corrected these overestimates. The accuracy of the CIS calculations varied, depending on the particular state, while the CIS(D), CIS(3), and LRCCSD results were in generally good agreement. The energies of the lowest six excited singlet states of Td N4 as calculated by the LRCCSD were compared with the energies of possible excited states of N2 + N2 fragments, leading to the conclusion that the most likely route for synthesis of Td N4 would involve a combination of two bound quintet states of N2.

  9. Holographic entropy increases in quadratic curvature gravity

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, Srijit; Sarkar, Sudipta; Wall, Aron C.

    2015-09-01

    Standard methods for calculating the black hole entropy beyond general relativity are ambiguous when the horizon is nonstationary. We fix these ambiguities in all quadratic curvature gravity theories, by demanding that the entropy be increasing at every time, for linear perturbations to a stationary black hole. Our result matches with the entropy formula found previously in holographic entanglement entropy calculations. We explicitly calculate the entropy increase for Vaidya-like solutions in Ricci-tensor gravity to show that (unlike the Wald entropy) the holographic entropy obeys a second law.

  10. A point-centered arbitrary Lagrangian Eulerian hydrodynamic approach for tetrahedral meshes

    SciTech Connect

    Morgan, Nathaniel R.; Waltz, Jacob I.; Burton, Donald E.; Charest, Marc R.; Canfield, Thomas R.; Wohlbier, John G.

    2015-02-24

    We present a three dimensional (3D) arbitrary Lagrangian Eulerian (ALE) hydrodynamic scheme suitable for modeling complex compressible flows on tetrahedral meshes. The new approach stores the conserved variables (mass, momentum, and total energy) at the nodes of the mesh and solves the conservation equations on a control volume surrounding the point. This type of an approach is termed a point-centered hydrodynamic (PCH) method. The conservation equations are discretized using an edge-based finite element (FE) approach with linear basis functions. All fluxes in the new approach are calculated at the center of each tetrahedron. A multidirectional Riemann-like problem is solved at the center of the tetrahedron. The advective fluxes are calculated by solving a 1D Riemann problem on each face of the nodal control volume. A 2-stage Runge–Kutta method is used to evolve the solution forward in time, where the advective fluxes are part of the temporal integration. The mesh velocity is smoothed by solving a Laplacian equation. The details of the new ALE hydrodynamic scheme are discussed. Results from a range of numerical test problems are presented.

  11. A point-centered arbitrary Lagrangian Eulerian hydrodynamic approach for tetrahedral meshes

    DOE PAGES

    Morgan, Nathaniel R.; Waltz, Jacob I.; Burton, Donald E.; Charest, Marc R.; Canfield, Thomas R.; Wohlbier, John G.

    2015-02-24

    We present a three dimensional (3D) arbitrary Lagrangian Eulerian (ALE) hydrodynamic scheme suitable for modeling complex compressible flows on tetrahedral meshes. The new approach stores the conserved variables (mass, momentum, and total energy) at the nodes of the mesh and solves the conservation equations on a control volume surrounding the point. This type of an approach is termed a point-centered hydrodynamic (PCH) method. The conservation equations are discretized using an edge-based finite element (FE) approach with linear basis functions. All fluxes in the new approach are calculated at the center of each tetrahedron. A multidirectional Riemann-like problem is solved atmore » the center of the tetrahedron. The advective fluxes are calculated by solving a 1D Riemann problem on each face of the nodal control volume. A 2-stage Runge–Kutta method is used to evolve the solution forward in time, where the advective fluxes are part of the temporal integration. The mesh velocity is smoothed by solving a Laplacian equation. The details of the new ALE hydrodynamic scheme are discussed. Results from a range of numerical test problems are presented.« less

  12. Contact symmetries of constrained quadratic Lagrangians

    NASA Astrophysics Data System (ADS)

    Dimakis, N.; Terzis, Petros A.; Christodoulakis, T.

    2016-01-01

    The conditions for the existence of (polynomial in the velocities) contact symmetries of constrained systems that are described by quadratic Lagrangians is presented. These Lagrangians mainly appear in mini-superspace reductions of gravitational plus matter actions. In the literature, one usually adopts a gauge condition (mostly for the lapse N) prior to searching for symmetries. This, however, is an unnecessary restriction which may lead to a loss of symmetries and consequently to the respective integrals of motion. A generalization of the usual procedure rests in the identification of the lapse function N as an equivalent degree of freedom and the according extension of the infinitesimal generator. As a result, conformal Killing tensors (with appropriate conformal factors) can define integrals of motion (instead of just Killing tensors used in the regular gauge fixed case). Additionally, rheonomic integrals of motion - whose existence is unique in this type of singular systems - of various orders in the momenta can be constructed. An example of a relativistic particle in a pp-wave space-time and under the influence of a quadratic potential is illustrated.

  13. Selective recognition of tetrahedral dianions by a hexaaza cryptand receptor.

    PubMed

    Mateus, Pedro; Delgado, Rita; Brandão, Paula; Carvalho, Sílvia; Félix, Vítor

    2009-11-21

    A hexaamine cage was synthesised in good yield by a [2+3] Schiff-base condensation followed by sodium borohydride reduction to be used as a receptor for the selective binding of anionic species. The protonation constants of the receptor, as well as its association constants with Cl(-), I(-), NO(3)(-), AcO(-), ClO(4)(-), H(2)PO(4)(-), SO(4)(2-), SeO(4)(2-) and S(2)O(3)(2-) were determined by potentiometry at 298.2 +/- 0.1 K in H(2)O-MeOH (50 : 50 v/v) and at ionic strength 0.10 +/- 0.01 mol dm(-3) in KTsO. These studies revealed a remarkable selectivity for dianionic tetrahedral anions by the protonated receptor, with association constants ranging 5.03-5.30 log units for the dianionic species and 1.49-2.97 log units for monoanionic ones. Single crystal X-ray determination of [(H(6)xyl)(SO(4))(H(2)O)(6)](SO(4))(2).9.5H(2)O showed that one sulfate anion is encapsulated into the receptor cage sited between the two 2,4,6-triethylbenzene caps establishing three N-HO hydrogen bonds with two adjacent N-H binding sites and additional O-HO hydrogen bonding interactions with six water of crystallization molecules. Four water molecules of the (SO(4))(H(2)O)(6) cluster interact with [H(6)xyl](6+) through N-HO hydrogen bonds. Molecular dynamics simulations (MD) carried out with SO(4)(2-) and Cl(-) anions in H(2)O-MeOH (50 : 50 v/v) allowed the full understanding of anion molecular recognition, the selectivity of the protonated receptor for SO(4)(2-) and the role played by the methanol and water solvent molecules. PMID:19865702

  14. Interpenetrating metal-organic frameworks formed by self-assembly of tetrahedral and octahedral building blocks

    SciTech Connect

    Lu Yongming; Lan Yaqian; Xu Yanhong; Su Zhongmin; Li Shunli; Zang Hongying; Xu Guangjuan

    2009-11-15

    To investigate the relationship between topological types and molecular building blocks (MBBs), we have designed and synthesized a series of three-dimensional (3D) interpenetrating metal-organic frameworks based on different polygons or polyhedra under hydrothermal conditions, namely [Cd(bpib){sub 0.5}(L{sup 1})] (1), [Cd(bpib){sub 0.5}(L{sup 2})].H{sub 2}O (2), [Cd(bpib){sub 0.5}(L{sup 3})] (3) and [Cd(bib){sub 0.5}(L{sup 1})] (4), where bpib=1,4-bis(2-(pyridin-2-yl)-1H-imidazol-1-yl)butane, bib=1,4-bis(1H-imidazol-1-yl)butane, H{sub 2}L{sup 1}=4-(4-carboxybenzyloxy)benzoic acid, H{sub 2}L{sup 2}=4,4'-(ethane-1,2-diylbis(oxy))dibenzoic acid and H{sub 2}L{sup 3}=4,4'-(1,4-phenylenebis(methylene))bis(oxy)dibenzoic acid, respectively. Their structures have been determined by single crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, and thermogravimetric (TG) analyses. Compounds 1-3 display alpha-Po topological nets with different degrees of interpenetration based on the similar octahedral [Cd{sub 2}(-COO){sub 4}] building blocks. Compound 4 is a six-fold interpenetrating diamondoid net based on tetrahedral MBBs. By careful inspection of these structures, we find that various carboxylic ligands and N-donor ligands with different coordination modes and conformations, and metal centers with different geometries are important for the formation of the different MBBs. It is believed that different topological types lie on different MBBs with various polygons or polyhedra. Such as four- and six-connected topologies are formed by tetrahedral and octahedral building blocks. In addition, with the increase of carboxylic ligands' length, the degrees of interpenetration have been changed in the alpha-Po topological nets. And the luminescent properties of these compounds have been investigated in detail. - Graphical abstract: A series of three-dimensional interpenetrating metal-organic frameworks based on different polygons or polyhedra

  15. Shape effects on the random-packing density of tetrahedral particles.

    PubMed

    Zhao, Jian; Li, Shuixiang; Jin, Weiwei; Zhou, Xuan

    2012-09-01

    Regular tetrahedra have been demonstrated recently giving high packing density in random configurations. However, it is unknown whether the random-packing density of tetrahedral particles with other shapes can reach an even higher value. A numerical investigation on the random packing of regular and irregular tetrahedral particles is carried out. Shape effects of rounded corner, eccentricity, and height on the packing density of tetrahedral particles are studied. Results show that altering the shape of tetrahedral particles by rounding corners and edges, by altering the height of one vertex, or by lateral displacement of one vertex above its opposite face, all individually have the effect of reducing the random-packing density. In general, the random-packing densities of irregular tetrahedral particles are lower than that of regular tetrahedra. The ideal regular tetrahedron should be the shape which has the highest random-packing density in the family of tetrahedra, or even among convex bodies. An empirical formula is proposed to describe the rounded corner effect on the packing density, and well explains the density deviation of tetrahedral particles with different roundness ratios. The particles in the simulations are verified to be randomly packed by studying the pair correlation functions, which are consistent with previous results. The spherotetrahedral particle model with the relaxation algorithm is effectively applied in the simulations.

  16. Quadratic dynamical decoupling with nonuniform error suppression

    SciTech Connect

    Quiroz, Gregory; Lidar, Daniel A.

    2011-10-15

    We analyze numerically the performance of the near-optimal quadratic dynamical decoupling (QDD) single-qubit decoherence errors suppression method [J. West et al., Phys. Rev. Lett. 104, 130501 (2010)]. The QDD sequence is formed by nesting two optimal Uhrig dynamical decoupling sequences for two orthogonal axes, comprising N{sub 1} and N{sub 2} pulses, respectively. Varying these numbers, we study the decoherence suppression properties of QDD directly by isolating the errors associated with each system basis operator present in the system-bath interaction Hamiltonian. Each individual error scales with the lowest order of the Dyson series, therefore immediately yielding the order of decoherence suppression. We show that the error suppression properties of QDD are dependent upon the parities of N{sub 1} and N{sub 2}, and near-optimal performance is achieved for general single-qubit interactions when N{sub 1}=N{sub 2}.

  17. Quadratic quantum cosmology with Schutz' perfect fluid

    NASA Astrophysics Data System (ADS)

    Vakili, Babak

    2010-01-01

    We study the classical and quantum models of a Friedmann-Robertson-Walker (FRW) cosmology, coupled to a perfect fluid, in the context of the f(R) gravity. Using Schutz' representation for the perfect fluid, we show that, under a particular gauge choice, it may lead to the identification of a time parameter for the corresponding dynamical system. Moreover, this formalism gives rise to a Schrödinger-Wheeler-DeWitt (SWD) equation for the quantum-mechanical description of the model under consideration, the eigenfunctions of which can be used to construct the wavefunction of the universe. In the case of f(R) = R2 (pure quadratic model), for some particular choices of the perfect fluid source, exact solutions to the SWD equation can be obtained and the corresponding results are compared to the usual f(R) = R model.

  18. Large-scale sequential quadratic programming algorithms

    SciTech Connect

    Eldersveld, S.K.

    1992-09-01

    The problem addressed is the general nonlinear programming problem: finding a local minimizer for a nonlinear function subject to a mixture of nonlinear equality and inequality constraints. The methods studied are in the class of sequential quadratic programming (SQP) algorithms, which have previously proved successful for problems of moderate size. Our goal is to devise an SQP algorithm that is applicable to large-scale optimization problems, using sparse data structures and storing less curvature information but maintaining the property of superlinear convergence. The main features are: 1. The use of a quasi-Newton approximation to the reduced Hessian of the Lagrangian function. Only an estimate of the reduced Hessian matrix is required by our algorithm. The impact of not having available the full Hessian approximation is studied and alternative estimates are constructed. 2. The use of a transformation matrix Q. This allows the QP gradient to be computed easily when only the reduced Hessian approximation is maintained. 3. The use of a reduced-gradient form of the basis for the null space of the working set. This choice of basis is more practical than an orthogonal null-space basis for large-scale problems. The continuity condition for this choice is proven. 4. The use of incomplete solutions of quadratic programming subproblems. Certain iterates generated by an active-set method for the QP subproblem are used in place of the QP minimizer to define the search direction for the nonlinear problem. An implementation of the new algorithm has been obtained by modifying the code MINOS. Results and comparisons with MINOS and NPSOL are given for the new algorithm on a set of 92 test problems.

  19. Linear state feedback, quadratic weights, and closed loop eigenstructures. M.S. Thesis. Final Report

    NASA Technical Reports Server (NTRS)

    Thompson, P. M.

    1980-01-01

    Equations are derived for the angles of general multivariable root loci and linear quadratic optimal root loci, including angles of departure and approach. The generalized eigenvalue problem is used to compute angles of approach. Equations are also derived to find the sensitivity of closed loop eigenvalue and the directional derivatives of closed loop eigenvectors. An equivalence class of quadratic weights that produce the same asymptotic eigenstructure is defined, a canonical element is defined, and an algorithm to find it is given. The behavior of the optimal root locus in the nonasymptotic region is shown to be different for quadratic weights with the same asymptotic properties. An algorithm is presented that can be used to select a feedback gain matrix for the linear state feedback problem which produces a specified asymptotic eigenstructure. Another algorithm is given to compute the asymptotic eigenstructure properties inherent in a given set of quadratic weights. Finally, it is shown that optimal root loci for nongeneric problems can be approximated by generic ones in the nonasymptotic region.

  20. An interface capturing method with a continuous function: The THINC method on unstructured triangular and tetrahedral meshes

    NASA Astrophysics Data System (ADS)

    Ii, Satoshi; Xie, Bin; Xiao, Feng

    2014-02-01

    A novel interface-capturing method is proposed to compute moving interfaces on unstructured grids with triangular (2D) and tetrahedral (3D) elements. Different from the conventional VOF (volume of fluid) method which involves geometric reconstructions of the interface, the present method is based on the algebraic reconstruction approach originally developed in the THINC (tangent of hyperbola interface capturing) scheme by Xiao et al. (2005) [17]. A continuous multidimensional hyperbolic tangent function is employed for retrieving the jump-like distribution of the indicator function, which avoids the explicit geometric representation of the interface and thus substantially reduces the algorithmic complexity in unstructured grids. Numerical diffusion and smearing are effectively eliminated, and the compact thickness of the jump transition layer in the volume fraction is retained throughout the computation even for largely deformed interface. The solution quality of the present scheme is comparable to the VOF method with PLIC (piecewise linear interface calculation) algorithm.

  1. Tangent Lines without Derivatives for Quadratic and Cubic Equations

    ERIC Educational Resources Information Center

    Carroll, William J.

    2009-01-01

    In the quadratic equation, y = ax[superscript 2] + bx + c, the equation y = bx + c is identified as the equation of the line tangent to the parabola at its y-intercept. This is extended to give a convenient method of graphing tangent lines at any point on the graph of a quadratic or a cubic equation. (Contains 5 figures.)

  2. Visualising the Roots of Quadratic Equations with Complex Coefficients

    ERIC Educational Resources Information Center

    Bardell, Nicholas S.

    2014-01-01

    This paper is a natural extension of the root visualisation techniques first presented by Bardell (2012) for quadratic equations with real coefficients. Consideration is now given to the familiar quadratic equation "y = ax[superscript 2] + bx + c" in which the coefficients "a," "b," "c" are generally…

  3. Some Paradoxical Results for the Quadratically Weighted Kappa

    ERIC Educational Resources Information Center

    Warrens, Matthijs J.

    2012-01-01

    The quadratically weighted kappa is the most commonly used weighted kappa statistic for summarizing interrater agreement on an ordinal scale. The paper presents several properties of the quadratically weighted kappa that are paradoxical. For agreement tables with an odd number of categories "n" it is shown that if one of the raters uses the same…

  4. Analysis of Students' Error in Learning of Quadratic Equations

    ERIC Educational Resources Information Center

    Zakaria, Effandi; Ibrahim; Maat, Siti Mistima

    2010-01-01

    The purpose of the study was to determine the students' error in learning quadratic equation. The samples were 30 form three students from a secondary school in Jambi, Indonesia. Diagnostic test was used as the instrument of this study that included three components: factorization, completing the square and quadratic formula. Diagnostic interview…

  5. Convexity preserving C2 rational quadratic trigonometric spline

    NASA Astrophysics Data System (ADS)

    Dube, Mridula; Tiwari, Preeti

    2012-09-01

    A C2 rational quadratic trigonometric spline interpolation has been studied using two kind of rational quadratic trigonometric splines. It is shown that under some natural conditions the solution of the problem exits and is unique. The necessary and sufficient condition that constrain the interpolation curves to be convex in the interpolating interval or subinterval are derived.

  6. Geometric quadratic stochastic operator on countable infinite set

    SciTech Connect

    Ganikhodjaev, Nasir; Hamzah, Nur Zatul Akmar

    2015-02-03

    In this paper we construct the family of Geometric quadratic stochastic operators defined on the countable sample space of nonnegative integers and investigate their trajectory behavior. Such operators can be reinterpreted in terms of of evolutionary operator of free population. We show that Geometric quadratic stochastic operators are regular transformations.

  7. Sketching the General Quadratic Equation Using Dynamic Geometry Software

    ERIC Educational Resources Information Center

    Stols, G. H.

    2005-01-01

    This paper explores a geometrical way to sketch graphs of the general quadratic in two variables with Geometer's Sketchpad. To do this, a geometric procedure as described by De Temple is used, bearing in mind that this general quadratic equation (1) represents all the possible conics (conics sections), and the fact that five points (no three of…

  8. Quadratic algebras for three-dimensional superintegrable systems

    SciTech Connect

    Daskaloyannis, C. Tanoudis, Y.

    2010-02-15

    The three-dimensional superintegrable systems with quadratic integrals of motion have five functionally independent integrals, one among them is the Hamiltonian. Kalnins, Kress, and Miller have proved that in the case of nondegenerate potentials with quadratic integrals of motion there is a sixth quadratic integral, which is linearly independent of the other integrals. The existence of this sixth integral implies that the integrals of motion form a ternary parafermionic-like quadratic Poisson algebra with five generators. In this contribution we investigate the structure of this algebra. We show that in all the nondegenerate cases there is at least one subalgebra of three integrals having a Poisson quadratic algebra structure, which is similar to the two-dimensional case.

  9. Serine Protease Catalysis: A Computational Study of Tetrahedral Intermediates and Inhibitory Adducts.

    PubMed

    Ngo, Phong D; Mansoorabadi, Steven O; Frey, Perry A

    2016-08-01

    Peptide boronic acids and peptidyl trifluoromethyl ketones (TFKs) inhibit serine proteases by forming monoanionic, tetrahedral adducts to serine in the active sites. Investigators regard these adducts as analogs of monoanionic, tetrahedral intermediates. Density functional theory (DFT) calculations and fractional charge analysis show that tetrahedral adducts of model peptidyl TFKs are structurally and electrostatically very similar to corresponding tetrahedral intermediates. In contrast, the DFT calculations show the structures and electrostatic properties of analogous peptide boronate adducts to be significantly different. The peptide boronates display highly electrostatically positive boron, with correspondingly negative ligands in the tetrahedra. In addition, the computed boron-oxygen and boron-carbon bond lengths in peptide boronates (which are identical or very similar to the corresponding bonds in a peptide boronate adduct of α-lytic protease determined by X-ray crystallography at subangstrom resolution) are significantly longer than the corresponding bond lengths in model tetrahedral intermediates. Since protease-peptidyl TFKs incorporate low-barrier hydrogen bonds (LBHBs) between an active site histidine and aspartate, while the protease-peptide boronates do not, these data complement the spectroscopic and chemical evidence for the participation of LBHBs in catalysis by serine proteases. Moreover, while the potency of these classes of inhibitors can be correlated to the structures of the peptide moieties, the present results indicate that the strength of their bonds to serine contribute significantly to their inhibitory properties. PMID:27387593

  10. Optimal power flow using sequential quadratic programming

    NASA Astrophysics Data System (ADS)

    Nejdawi, Imad M.

    1999-11-01

    Optimal power flow (OPF) is an operational as well as a planning tool used by electric utilities to help them operate their network in the most economic and secure mode of operation. Various algorithms to solve the OPF problem evolved over the past three decades; linear programming (LP) techniques were among the major mathematical programming methods utilized. The linear models of the objective function and the linearization of the constraints are the main features of these techniques. The main advantages of the LP approach are simplicity and speed. Nonlinear programming techniques have been applied to OPF solution. The major drawback is the expensive solution of large sparse systems of equations. This research is concerned with the development of a new OPF solution algorithm using sequential quadratic programming (SQP). In this formulation, a small dense system the size of which is equal to the number of control variables is solved in an inner loop. The Jacobian and Hessian terms are calculated in an outer loop. The total number of outer loop iterations is comparable to those in an ordinary load flow in contrast to 20--30 iterations in other nonlinear methods. In addition, the total number of floating point operations is less than that encountered in direct methods by two orders of magnitude. We also model dispatch over a twenty four-hour time horizon in a transmission constrained power network that includes price-responsive loads where large energy customers can operate their loads in time intervals with lowest spot prices.

  11. A Quadratic Closure for Compressible Turbulence

    SciTech Connect

    Futterman, J A

    2008-09-16

    We have investigated a one-point closure model for compressible turbulence based on third- and higher order cumulant discard for systems undergoing rapid deformation, such as might occur downstream of a shock or other discontinuity. In so doing, we find the lowest order contributions of turbulence to the mean flow, which lead to criteria for Adaptive Mesh Refinement. Rapid distortion theory (RDT) as originally applied by Herring closes the turbulence hierarchy of moment equations by discarding third order and higher cumulants. This is similar to the fourth-order cumulant discard hypothesis of Millionshchikov, except that the Millionshchikov hypothesis was taken to apply to incompressible homogeneous isotropic turbulence generally, whereas RDT is applied only to fluids undergoing a distortion that is 'rapid' in the sense that the interaction of the mean flow with the turbulence overwhelms the interaction of the turbulence with itself. It is also similar to Gaussian closure, in which both second and fourth-order cumulants are retained. Motivated by RDT, we develop a quadratic one-point closure for rapidly distorting compressible turbulence, without regard to homogeneity or isotropy, and make contact with two equation turbulence models, especially the K-{var_epsilon} and K-L models, and with linear instability growth. In the end, we arrive at criteria for Adaptive Mesh Refinement in Finite Volume simulations.

  12. Elastic Model Transitions Using Quadratic Inequality Constrained Least Squares

    NASA Technical Reports Server (NTRS)

    Orr, Jeb S.

    2012-01-01

    A technique is presented for initializing multiple discrete finite element model (FEM) mode sets for certain types of flight dynamics formulations that rely on superposition of orthogonal modes for modeling the elastic response. Such approaches are commonly used for modeling launch vehicle dynamics, and challenges arise due to the rapidly time-varying nature of the rigid-body and elastic characteristics. By way of an energy argument, a quadratic inequality constrained least squares (LSQI) algorithm is employed to e ect a smooth transition from one set of FEM eigenvectors to another with no requirement that the models be of similar dimension or that the eigenvectors be correlated in any particular way. The physically unrealistic and controversial method of eigenvector interpolation is completely avoided, and the discrete solution approximates that of the continuously varying system. The real-time computational burden is shown to be negligible due to convenient features of the solution method. Simulation results are presented, and applications to staging and other discontinuous mass changes are discussed

  13. RELATIONSHIP BETWEEN RIGIDITY OF EXTERNAL FIXATOR AND NUMBER OF PINS: COMPUTER ANALYSIS USING FINITE ELEMENTS

    PubMed Central

    Sternick, Marcelo Back; Dallacosta, Darlan; Bento, Daniela Águida; do Reis, Marcelo Lemos

    2015-01-01

    Objective: To analyze the rigidity of a platform-type external fixator assembly, according to different numbers of pins on each clamp. Methods: Computer simulation on a large-sized Cromus dynamic external fixator (Baumer SA) was performed using a finite element method, in accordance with the standard ASTM F1541. The models were generated with approximately 450,000 quadratic tetrahedral elements. Assemblies with two, three and four Schanz pins of 5.5 mm in diameter in each clamp were compared. Every model was subjected to a maximum force of 200 N, divided into 10 sub-steps. For the components, the behavior of the material was assumed to be linear, elastic, isotropic and homogeneous. For each model, the rigidity of the assembly and the Von Mises stress distribution were evaluated. Results: The rigidity of the system was 307.6 N/mm for two pins, 369.0 N/mm for three and 437.9 N/mm for four. Conclusion: The results showed that four Schanz pins in each clamp promoted rigidity that was 19% greater than in the configuration with three pins and 42% greater than with two pins. Higher tension occurred in configurations with fewer pins. In the models analyzed, the maximum tension occurred on the surface of the pin, close to the fixation area. PMID:27047879

  14. Haldane-Hubbard Mott Insulator: From Tetrahedral Spin Crystal to Chiral Spin Liquid.

    PubMed

    Hickey, Ciarán; Cincio, Lukasz; Papić, Zlatko; Paramekanti, Arun

    2016-04-01

    Motivated by cold atom experiments on Chern insulators, we study the honeycomb lattice Haldane-Hubbard Mott insulator of spin-1/2 fermions using exact diagonalization and density matrix renormalization group methods. We show that this model exhibits various chiral magnetic orders including a wide regime of triple-Q tetrahedral order. Incorporating third-neighbor hopping frustrates and ultimately melts this tetrahedral spin crystal. From analyzing the low energy spectrum, many-body Chern numbers, entanglement spectra, and modular matrices, we identify the molten state as a chiral spin liquid (CSL) with gapped semion excitations. We formulate and study the Chern-Simons-Higgs field theory of the exotic CSL-to-tetrahedral spin crystallization transition.

  15. Haldane-Hubbard Mott Insulator: From Tetrahedral Spin Crystal to Chiral Spin Liquid

    NASA Astrophysics Data System (ADS)

    Hickey, Ciarán; Cincio, Lukasz; Papić, Zlatko; Paramekanti, Arun

    2016-04-01

    Motivated by cold atom experiments on Chern insulators, we study the honeycomb lattice Haldane-Hubbard Mott insulator of spin-1 /2 fermions using exact diagonalization and density matrix renormalization group methods. We show that this model exhibits various chiral magnetic orders including a wide regime of triple-Q tetrahedral order. Incorporating third-neighbor hopping frustrates and ultimately melts this tetrahedral spin crystal. From analyzing the low energy spectrum, many-body Chern numbers, entanglement spectra, and modular matrices, we identify the molten state as a chiral spin liquid (CSL) with gapped semion excitations. We formulate and study the Chern-Simons-Higgs field theory of the exotic CSL-to-tetrahedral spin crystallization transition.

  16. A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis.

    PubMed

    Song, Haigang; Dong, Chen; Qin, Mingming; Chen, Yaozong; Sun, Yueru; Liu, Jingjing; Chan, Wan; Guo, Zhihong

    2016-06-15

    Enamine is a well-known reactive intermediate mediating essential thiamine-dependent catalysis in central metabolic pathways. However, this intermediate is not found in the thiamine-dependent catalysis of the vitamin K biosynthetic enzyme MenD. Instead, an active tetrahedral post-decarboxylation intermediate is stably formed in the enzyme and was structurally determined at 1.34 Å resolution in crystal. This intermediate takes a unique conformation that allows only one proton between its tetrahedral reaction center and the exo-ring nitrogen atom of the aminopyrimidine moiety in the cofactor with a short distance of 3.0 Å. It is readily convertible to the final product of the enzymic reaction with a solvent-exchangeable proton at its reaction center. These results show that the thiamine-dependent enzyme utilizes a tetrahedral intermediate in a mechanism distinct from the enamine catalytic chemistry.

  17. A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis.

    PubMed

    Song, Haigang; Dong, Chen; Qin, Mingming; Chen, Yaozong; Sun, Yueru; Liu, Jingjing; Chan, Wan; Guo, Zhihong

    2016-06-15

    Enamine is a well-known reactive intermediate mediating essential thiamine-dependent catalysis in central metabolic pathways. However, this intermediate is not found in the thiamine-dependent catalysis of the vitamin K biosynthetic enzyme MenD. Instead, an active tetrahedral post-decarboxylation intermediate is stably formed in the enzyme and was structurally determined at 1.34 Å resolution in crystal. This intermediate takes a unique conformation that allows only one proton between its tetrahedral reaction center and the exo-ring nitrogen atom of the aminopyrimidine moiety in the cofactor with a short distance of 3.0 Å. It is readily convertible to the final product of the enzymic reaction with a solvent-exchangeable proton at its reaction center. These results show that the thiamine-dependent enzyme utilizes a tetrahedral intermediate in a mechanism distinct from the enamine catalytic chemistry. PMID:27213829

  18. Self-equilibrium and stability of regular truncated tetrahedral tensegrity structures

    NASA Astrophysics Data System (ADS)

    Zhang, J. Y.; Ohsaki, M.

    2012-10-01

    This paper presents analytical conditions of self-equilibrium and super-stability for the regular truncated tetrahedral tensegrity structures, nodes of which have one-to-one correspondence to the tetrahedral group. These conditions are presented in terms of force densities, by investigating the block-diagonalized force density matrix. The block-diagonalized force density matrix, with independent sub-matrices lying on its leading diagonal, is derived by making use of the tetrahedral symmetry via group representation theory. The condition for self-equilibrium is found by enforcing the force density matrix to have the necessary number of nullities, which is four for three-dimensional structures. The condition for super-stability is further presented by guaranteeing positive semi-definiteness of the force density matrix.

  19. Haldane-Hubbard Mott Insulator: From Tetrahedral Spin Crystal to Chiral Spin Liquid.

    PubMed

    Hickey, Ciarán; Cincio, Lukasz; Papić, Zlatko; Paramekanti, Arun

    2016-04-01

    Motivated by cold atom experiments on Chern insulators, we study the honeycomb lattice Haldane-Hubbard Mott insulator of spin-1/2 fermions using exact diagonalization and density matrix renormalization group methods. We show that this model exhibits various chiral magnetic orders including a wide regime of triple-Q tetrahedral order. Incorporating third-neighbor hopping frustrates and ultimately melts this tetrahedral spin crystal. From analyzing the low energy spectrum, many-body Chern numbers, entanglement spectra, and modular matrices, we identify the molten state as a chiral spin liquid (CSL) with gapped semion excitations. We formulate and study the Chern-Simons-Higgs field theory of the exotic CSL-to-tetrahedral spin crystallization transition. PMID:27082001

  20. Equation for disentangling time-ordered exponentials with arbitrary quadratic generators

    SciTech Connect

    Budanov, V.G.

    1987-12-01

    In many quantum-mechanical constructions, it is necessary to disentangle an operator-valued time-ordered exponential with time-dependent generators quadratic in the creation and annihilation operators. By disentangling, one understands the finding of the matrix elements of the time-ordered exponential or, in a more general formulation. The solution of the problem can also be reduced to calculation of a matrix time-ordered exponential that solves the corresponding classical problem. However, in either case the evolution equations in their usual form do not enable one to take into account explicitly the symmetry of the system. In this paper the methods of Weyl analysis are used to find an ordinary differential equation on a matrix Lie algebra that is invariant with respect to the adjoint action of the dynamical symmetry group of a quadratic Hamiltonian and replaces the operator evolution equation for the Green's function.

  1. A decentralized linear quadratic control design method for flexible structures

    NASA Technical Reports Server (NTRS)

    Su, Tzu-Jeng; Craig, Roy R., Jr.

    1990-01-01

    A decentralized suboptimal linear quadratic control design procedure which combines substructural synthesis, model reduction, decentralized control design, subcontroller synthesis, and controller reduction is proposed for the design of reduced-order controllers for flexible structures. The procedure starts with a definition of the continuum structure to be controlled. An evaluation model of finite dimension is obtained by the finite element method. Then, the finite element model is decomposed into several substructures by using a natural decomposition called substructuring decomposition. Each substructure, at this point, still has too large a dimension and must be reduced to a size that is Riccati-solvable. Model reduction of each substructure can be performed by using any existing model reduction method, e.g., modal truncation, balanced reduction, Krylov model reduction, or mixed-mode method. Then, based on the reduced substructure model, a subcontroller is designed by an LQ optimal control method for each substructure independently. After all subcontrollers are designed, a controller synthesis method called substructural controller synthesis is employed to synthesize all subcontrollers into a global controller. The assembling scheme used is the same as that employed for the structure matrices. Finally, a controller reduction scheme, called the equivalent impulse response energy controller (EIREC) reduction algorithm, is used to reduce the global controller to a reasonable size for implementation. The EIREC reduced controller preserves the impulse response energy of the full-order controller and has the property of matching low-frequency moments and low-frequency power moments. An advantage of the substructural controller synthesis method is that it relieves the computational burden associated with dimensionality. Besides that, the SCS design scheme is also a highly adaptable controller synthesis method for structures with varying configuration, or varying mass

  2. Phase recovery based on quadratic programming

    NASA Astrophysics Data System (ADS)

    Zhang, Quan Bing; Ge, Xiao Juan; Cheng, Ya Dong; Ni, Na

    2014-11-01

    Most of the information of optical wavefront is encoded in the phase which includes more details of the object. Conventional optical measuring apparatus is relatively easy to record the intensity of light, but can not measure the phase of light directly. Thus it is important to recovery the phase from the intensity measurements of the object. In recent years, the methods based on quadratic programming such as PhaseLift and PhaseCut can recover the phase of general signal exactly for overdetermined system. To retrieve the phase of sparse signal, the Compressive Phase Retrieval (CPR) algorithm combines the l1-minimization in Compressive Sensing (CS) with low-rank matrix completion problem in PhaseLift, but the result is unsatisfied. This paper focus on the recovery of the phase of sparse signal and propose a new method called the Compressive Phase Cut Retrieval (CPCR) by combining the CPR algorithm with the PhaseCut algorithm. To ensure the sparsity of the recovered signal, we use CPR method to solve a semi-definite programming problem firstly. Then apply linear transformation to the recovered signal, and set the phase of the result as the initial value of the PhaseCut problem. We use TFOCS (a library of Matlab-files) to implement the proposed CPCR algorithm in order to improve the recovered results of the CPR algorithm. Experimental results show that the proposed method can improve the accuracy of the CPR algorithm, and overcome the shortcoming of the PhaseCut method that it can not recover the sparse signal effectively.

  3. Transformational part-count in layered octahedral-tetrahedral truss configurations

    NASA Technical Reports Server (NTRS)

    Lalvani, Haresh

    1990-01-01

    The number of component part (nodes, struts and panels) termed part count, is an important factor in the design, manufacture, and assembly of modular space structures. Part count expressions are presented for a variety of profiles derived from the layered octahedral-tetrahedral truss configuration. Referred to as the tetrahedral truss in the NASA projects, this specific geometry has been used in several missions. The general expressions presented here transforms to others as one profile changes to another. Such transformational part count relations provide a measure of flexibility and generality, and may be useful when dealing with a wider range of geometric configurations.

  4. Haldane-Hubbard Mott Insulator: From Tetrahedral Spin Crystal to Chiral Spin Liquid

    NASA Astrophysics Data System (ADS)

    Hickey, Ciaran; Cincio, Lukasz; Papic, Zlatko; Paramekanti, Arun

    Motivated by recent experimental realizations of artificial gauge fields in ultracold atoms, we study the honeycomb lattice Haldane-Hubbard Mott insulator of spin- 1 / 2 fermions using exact diagonalization and density matrix renormalization group methods. We show that this model exhibits various chiral magnetic orders including a wide regime of triple-Q tetrahedral order. Incorporating third-neighbor hopping frustrates and ultimately melts this tetrahedral spin crystal. From analyzing low energy spectra, many-body Chern numbers, entanglement spectra, and modular matrices, we identify the molten state as a chiral spin liquid with gapped semion excitations.

  5. Degenerate nonlinear programming with a quadratic growth condition.

    SciTech Connect

    Anitescu, M.; Mathematics and Computer Science

    2000-01-01

    We show that the quadratic growth condition and the Mangasarian-Fromovitz constraint qualification (MFCQ) imply that local minima of nonlinear programs are isolated stationary points. As a result, when started sufficiently close to such points, an L1 exact penalty sequential quadratic programming algorithm will induce at least R-linear convergence of the iterates to such a local minimum. We construct an example of a degenerate nonlinear program with a unique local minimum satisfying the quadratic growth and the MFCQ but for which no positive semidefinite augmented Lagrangian exists. We present numerical results obtained using several nonlinear programming packages on this example and discuss its implications for some algorithms.

  6. Lattice thermal expansion for normal tetrahedral compound semiconductors

    SciTech Connect

    Omar, M.S. . E-mail: dr_m_s_omar@yahoo.com

    2007-02-15

    The cubic root of the deviation of the lattice thermal expansion from that of the expected value of diamond for group IV semiconductors, binary compounds of III-V and II-VI, as well as several ternary compounds from groups I-III-VI{sub 2}, II-IV-V{sub 2} and I-IV{sub 2}V{sub 3} semiconductors versus their bonding length are given straight lines. Their slopes were found to be 0.0256, 0.0210, 0.0170, 0.0259, 0.0196, and 0.02840 for the groups above, respectively. Depending on the valence electrons of the elements forming these groups, a formula was found to correlate all the values of the slopes mentioned above to that of group IV. This new formula which depends on the melting point and the bonding length as well as the number of valence electrons for the elements forming the compounds, will gives best calculated values for lattice thermal expansion for all compounds forming the groups mentioned above. An empirical relation is also found between the mean ionicity of the compounds forming the groups and their slopes mentioned above and that gave the mean ionicity for the compound CuGe{sub 2}P{sub 3} in the range of 0.442.

  7. On a 'Mysterious' Case of a Quadratic Hamiltonian

    NASA Astrophysics Data System (ADS)

    Sakovich, Sergei

    2006-07-01

    We show that one of the five cases of a quadratic Hamiltonian, which were recently selected by Sokolov and Wolf who used the Kovalevskaya-Lyapunov test, fails to pass the Painlevé test for integrability.

  8. AdS waves as exact solutions to quadratic gravity

    SciTech Connect

    Guellue, Ibrahim; Sisman, Tahsin Cagri; Tekin, Bayram; Guerses, Metin

    2011-04-15

    We give an exact solution of the quadratic gravity in D dimensions. The solution is a plane-fronted wave metric with a cosmological constant. This metric solves not only the full quadratic gravity field equations but also the linearized ones which include the linearized equations of the recently found critical gravity. A subset of the solutions change the asymptotic structure of the anti-de Sitter space due to their logarithmic behavior.

  9. Automated Tetrahedral Mesh Generation for CFD Analysis of Aircraft in Conceptual Design

    NASA Technical Reports Server (NTRS)

    Ordaz, Irian; Li, Wu; Campbell, Richard L.

    2014-01-01

    The paper introduces an automation process of generating a tetrahedral mesh for computational fluid dynamics (CFD) analysis of aircraft configurations in early conceptual design. The method was developed for CFD-based sonic boom analysis of supersonic configurations, but can be applied to aerodynamic analysis of aircraft configurations in any flight regime.

  10. Multi-Dimensional, Inviscid Flux Reconstruction for Simulation of Hypersonic Heating on Tetrahedral Grids

    NASA Technical Reports Server (NTRS)

    Gnoffo, Peter A.

    2009-01-01

    The quality of simulated hypersonic stagnation region heating on tetrahedral meshes is investigated by using a three-dimensional, upwind reconstruction algorithm for the inviscid flux vector. Two test problems are investigated: hypersonic flow over a three-dimensional cylinder with special attention to the uniformity of the solution in the spanwise direction and hypersonic flow over a three-dimensional sphere. The tetrahedral cells used in the simulation are derived from a structured grid where cell faces are bisected across the diagonal resulting in a consistent pattern of diagonals running in a biased direction across the otherwise symmetric domain. This grid is known to accentuate problems in both shock capturing and stagnation region heating encountered with conventional, quasi-one-dimensional inviscid flux reconstruction algorithms. Therefore the test problem provides a sensitive test for algorithmic effects on heating. This investigation is believed to be unique in its focus on three-dimensional, rotated upwind schemes for the simulation of hypersonic heating on tetrahedral grids. This study attempts to fill the void left by the inability of conventional (quasi-one-dimensional) approaches to accurately simulate heating in a tetrahedral grid system. Results show significant improvement in spanwise uniformity of heating with some penalty of ringing at the captured shock. Issues with accuracy near the peak shear location are identified and require further study.

  11. Fostering Teacher Development to a Tetrahedral Orientation in the Teaching of Chemistry

    ERIC Educational Resources Information Center

    Lewthwaite, Brian; Wiebe, Rick

    2011-01-01

    This paper reports on the initial outcomes from the end of the fourth year of a 5 year research and professional development project to improve chemistry teaching among three cohorts of chemistry teachers in Manitoba, Canada. The project responds to a new curriculum introduction advocating a tetrahedral orientation (Mahaffy, "Journal of Chemical…

  12. Accumulation of tetrahedral intermediates in cholinesterase catalysis: a secondary isotope effect study.

    PubMed

    Tormos, Jose R; Wiley, Kenneth L; Wang, Yi; Fournier, Didier; Masson, Patrick; Nachon, Florian; Quinn, Daniel M

    2010-12-22

    In a previous communication, kinetic β-deuterium secondary isotope effects were reported that support a mechanism for substrate-activated turnover of acetylthiocholine by human butyrylcholinesterase (BuChE) wherein the accumulating reactant state is a tetrahedral intermediate ( Tormos , J. R. ; et al. J. Am. Chem. Soc. 2005 , 127 , 14538 - 14539 ). In this contribution additional isotope effect experiments are described with acetyl-labeled acetylthiocholines (CL(3)COSCH(2)CH(2)N(+)Me(3); L = H or D) that also support accumulation of the tetrahedral intermediate in Drosophila melanogaster acetylcholinesterase (DmAChE) catalysis. In contrast to the aforementioned BuChE-catalyzed reaction, for this reaction the dependence of initial rates on substrate concentration is marked by pronounced substrate inhibition at high substrate concentrations. Moreover, kinetic β-deuterium secondary isotope effects for turnover of acetylthiocholine depended on substrate concentration, and gave the following: (D3)k(cat)/K(m) = 0.95 ± 0.03, (D3)k(cat) = 1.12 ± 0.02 and (D3)βk(cat) = 0.97 ± 0.04. The inverse isotope effect on k(cat)/K(m) is consistent with conversion of the sp(2)-hybridized substrate carbonyl in the E + A reactant state into a quasi-tetrahedral transition state in the acylation stage of catalysis, whereas the markedly normal isotope effect on k(cat) is consistent with hybridization change from sp(3) toward sp(2) as the reactant state for deacylation is converted into the subsequent transition state. Transition states for Drosophila melanogaster AChE-catalyzed hydrolysis of acetylthiocholine were further characterized by measuring solvent isotope effects and determining proton inventories. These experiments indicated that the transition state for rate-determining decomposition of the tetrahedral intermediate is stabilized by multiple protonic interactions. Finally, a simple model is proposed for the contribution that tetrahedral intermediate stabilization provides to

  13. An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: Tetrahedral molecules

    SciTech Connect

    Nikitin, A. V.; Rey, M.; Tyuterev, Vl. G.

    2015-03-07

    A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potential energy surface (PES). An efficient method that permits a fast convergence of variational calculations would allow iterative optimization of the PES parameters using experimental data. In this work, we propose such a method applied to tetrahedral AB{sub 4} molecules for which a use of high symmetry is crucial for vibrational calculations. A symmetry-adapted contracted angular basis set for six redundant angles is introduced. Simple formulas using this basis set for explicit calculation of the angular matrix elements of KEO and PES are reported. The symmetric form (six redundant angles) of vibrational KEO without the sin(q){sup −2} type singularity is derived. The efficient recursive algorithm based on the tensorial formalism is used for the calculation of vibrational matrix elements. A good basis set convergence for the calculations of vibrational levels of the CH{sub 4} molecule is demonstrated.

  14. Environmentally stable adsorbent of tetrahedral silica and non-tetrahedral alumina for removal and recovery of malachite green dye from aqueous solution.

    PubMed

    Kannan, Chellapandian; Sundaram, Thiravium; Palvannan, Thayumanavan

    2008-08-30

    The conventional adsorbents like activated carbon, agricultural wastes, molecular sieves, etc., used for dye adsorption are unstable in the environment for long time, and hence the adsorbed dyes again gets liberated and pollute the environment. To avoid this problem, environmentally stable adsorbent of silica and alumina should be employed for malachite green adsorption. The adsorbents were characterized by Fourier transformed infrared spectroscopy (FT-IR) to confirm the tetrahedral framework of silica and non-tetrahedral framework of alumina. The adsorption equilibrium of dye on alumina and silica were 4 and 5h, respectively, this less adsorption time on alumina might be due to the less activation energy on alumina (63.46 kJ mol(-1)) than silica (69.93 kJ mol(-1)). Adsorption increased with increase of temperature on silica, in alumina, adsorption increased up to 60 degrees C, and further increase of temperature decreased the adsorption due to the structural change of non-tetrahedral alumina in water. The optimum pH for dye adsorption on alumina was 5 and silica was 6. The dye adsorptions on both adsorbents followed pseudo-second-order kinetics. The adsorption well matched with Langmuir and Freundlich adsorption isotherms and found that adsorption capacity on alumina was more than silica. The thermodynamic studies proved that the adsorption was endothermic and chemisorptions (DeltaH degrees >40 kJ mol(-1)) on alumina and silica. Recovery of dye on alumina and silica were studied from 30 to 90 degrees C and observed that 52% of dye was recovered from alumina and only 3.5% from silica. The less recovery on silica proved the strong adsorption of dye on silica than alumina. PMID:18289784

  15. A transient, quadratic nodal method for triangular-Z geometry

    SciTech Connect

    DeLorey, T.F.

    1993-06-01

    Many systematically-derived nodal methods have been developed for Cartesian geometry due to the extensive interest in Light Water Reactors. These methods typically model the transverse-integrated flux as either an analytic or low order polynomial function of position within the node. Recently, quadratic nodal methods have been developed for R-Z and hexagonal geometry. A static and transient quadratic nodal method is developed for triangular-Z geometry. This development is particularly challenging because the quadratic expansion in each node must be performed between the node faces and the triangular points. As a consequence, in the 2-D plane, the flux and current at the points of the triangles must be treated. Quadratic nodal equations are solved using a non-linear iteration scheme, which utilizes the corrected, mesh-centered finite difference equations, and forces these equations to match the quadratic equations by computing discontinuity factors during the solution. Transient nodal equations are solved using the improved quasi-static method, which has been shown to be a very efficient solution method for transient problems. Several static problems are used to compare the quadratic nodal method to the Coarse Mesh Finite Difference (CMFD) method. The quadratic method is shown to give more accurate node-averaged fluxes. However, it appears that the method has difficulty predicting node leakages near reactor boundaries and severe material interfaces. The consequence is that the eigenvalue may be poorly predicted for certain reactor configurations. The transient methods are tested using a simple analytic test problem, a heterogeneous heavy water reactor benchmark problem, and three thermal hydraulic test problems. Results indicate that the transient methods have been implemented correctly.

  16. Numerical approximation for the infinite-dimensional discrete-time optimal linear-quadratic regulator problem

    NASA Technical Reports Server (NTRS)

    Gibson, J. S.; Rosen, I. G.

    1986-01-01

    An abstract approximation framework is developed for the finite and infinite time horizon discrete-time linear-quadratic regulator problem for systems whose state dynamics are described by a linear semigroup of operators on an infinite dimensional Hilbert space. The schemes included the framework yield finite dimensional approximations to the linear state feedback gains which determine the optimal control law. Convergence arguments are given. Examples involving hereditary and parabolic systems and the vibration of a flexible beam are considered. Spline-based finite element schemes for these classes of problems, together with numerical results, are presented and discussed.

  17. Cr(1/3)Zr₂P₃O₁₂ with unusual tetrahedral coordination of Cr(III): peculiarities of the formation, thermal stability and application as a pigment.

    PubMed

    Gorodylova, Nataliia; Kosinová, Veronika; Šulcová, Petra; Bělina, Petr; Vlček, Milan

    2014-11-01

    All the known chromium(III) NASICON-related phosphates are considered to be solid solutions. In these compounds chromium atoms share their position in the basic framework of the crystal lattice with other structure forming elements such as zirconium. In our study, we have hypothesised a completely new way of structural organisation of the chromium(III) zirconium(IV) NASICON framework, consisting in the distribution of chromium over the charge-compensating atom sites with tetrahedral oxygen coordination. The possibility of formation of the corresponding phosphate, Cr(1/3)Zr2P3O12, was studied using a classical ceramic route and a sol-gel method. Structural affiliation of the obtained pure phase product was studied using XRD analysis. The results confirmed that the Cr(1/3)Zr2P3O12 phosphate belongs to monoclinic SW-subtype of the NASICON family. In this structure, chromium atoms occupy charge-compensating sites with a strongly distorted tetrahedral oxygen environment. To the best of our knowledge, it is the first example of tetrahedral coordination of chromium(III) in phosphates. Along with the unusual crystallographic characteristics of chromium, special attention in this paper is devoted to the thermal stability of this phosphate and to its performance as an inorganic pigment. The sample was characterised by heating microscopy and DTA study, particle size distribution analysis, and IR- and VIS-spectroscopy. The stability of the obtained powder in a glaze environment, its colouring performance and lightfastness are discussed as well. PMID:25189199

  18. Parallel Higher-order Finite Element Method for Accurate Field Computations in Wakefield and PIC Simulations

    SciTech Connect

    Candel, A.; Kabel, A.; Lee, L.; Li, Z.; Limborg, C.; Ng, C.; Prudencio, E.; Schussman, G.; Uplenchwar, R.; Ko, K.; /SLAC

    2009-06-19

    Over the past years, SLAC's Advanced Computations Department (ACD), under SciDAC sponsorship, has developed a suite of 3D (2D) parallel higher-order finite element (FE) codes, T3P (T2P) and Pic3P (Pic2P), aimed at accurate, large-scale simulation of wakefields and particle-field interactions in radio-frequency (RF) cavities of complex shape. The codes are built on the FE infrastructure that supports SLAC's frequency domain codes, Omega3P and S3P, to utilize conformal tetrahedral (triangular)meshes, higher-order basis functions and quadratic geometry approximation. For time integration, they adopt an unconditionally stable implicit scheme. Pic3P (Pic2P) extends T3P (T2P) to treat charged-particle dynamics self-consistently using the PIC (particle-in-cell) approach, the first such implementation on a conformal, unstructured grid using Whitney basis functions. Examples from applications to the International Linear Collider (ILC), Positron Electron Project-II (PEP-II), Linac Coherent Light Source (LCLS) and other accelerators will be presented to compare the accuracy and computational efficiency of these codes versus their counterparts using structured grids.

  19. An alternative Laplacian electrostatic field finite element formulation

    SciTech Connect

    Barber, P.F.; Lauber, T.S.

    1987-01-01

    An alternative finite element method for calculating three-dimensional electrostatic fields is described. The matrix equation is assembled using linear tetrahedral elements and an electrical network solution techniques known as impedance matrix building with axis discarding. The solutions of sample problems are described.

  20. On Volterra quadratic stochastic operators with continual state space

    SciTech Connect

    Ganikhodjaev, Nasir; Hamzah, Nur Zatul Akmar

    2015-05-15

    Let (X,F) be a measurable space, and S(X,F) be the set of all probability measures on (X,F) where X is a state space and F is σ - algebraon X. We consider a nonlinear transformation (quadratic stochastic operator) defined by (Vλ)(A) = ∫{sub X}∫{sub X}P(x,y,A)dλ(x)dλ(y), where P(x, y, A) is regarded as a function of two variables x and y with fixed A ∈ F . A quadratic stochastic operator V is called a regular, if for any initial measure the strong limit lim{sub n→∞} V{sup n }(λ) is exists. In this paper, we construct a family of quadratic stochastic operators defined on the segment X = [0,1] with Borel σ - algebra F on X , prove their regularity and show that the limit measure is a Dirac measure.

  1. A Projection Neural Network for Constrained Quadratic Minimax Optimization.

    PubMed

    Liu, Qingshan; Wang, Jun

    2015-11-01

    This paper presents a projection neural network described by a dynamic system for solving constrained quadratic minimax programming problems. Sufficient conditions based on a linear matrix inequality are provided for global convergence of the proposed neural network. Compared with some of the existing neural networks for quadratic minimax optimization, the proposed neural network in this paper is capable of solving more general constrained quadratic minimax optimization problems, and the designed neural network does not include any parameter. Moreover, the neural network has lower model complexities, the number of state variables of which is equal to that of the dimension of the optimization problems. The simulation results on numerical examples are discussed to demonstrate the effectiveness and characteristics of the proposed neural network.

  2. Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

    NASA Astrophysics Data System (ADS)

    Zhao, Xin; Wu, Shunqing; Lv, Xiaobao; Nguyen, Manh Cuong; Wang, Cai-Zhuang; Lin, Zijing; Zhu, Zi-Zhong; Ho, Kai-Ming

    2015-10-01

    Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures, we discovered many other different tetrahedral-network-based crystal structures which are highly degenerate in energy. These structures can be classified into structures with 1D, 2D and 3D M-Si-O frameworks. A clear trend of the structural preference in different systems was revealed and possible indicators that affect the structure stabilities were introduced. For the case of Na systems which have been much less investigated in the literature relative to the Li systems, we predicted their ground state structures and found evidence for the existence of new structural motifs.

  3. Flexibility of C3h -Symmetrical Linkers in Tris-oligonucleotide-Based Tetrahedral Scaffolds.

    PubMed

    Panagiotidis, Christos; Kath-Schorr, Stephanie; von Kiedrowski, Günter

    2016-02-01

    Flexibility of tris-oligonucleotides is determined by the length of their connecting hydrocarbon chains. Tris-oligonucleotides are branched DNA building blocks with three oligonucleotide arms attached to a C3h -symmetrical linker core at these chains. Four tris-oligonucleotides hybridise into a tetrahedral nanocage by sequence-determined self-assembly. The influence of methylene, ethylene and propylene chains was studied by synthesising sets of tris-oligonucleotides and analysing the relative stability of the hybridisation products against digestion by mung bean nuclease by using gel electrophoresis. Linkers with ethylene chains showed sufficient flexibility, whereas methylene-chain linkers were too rigid. Tris-oligonucleotides based on the latter still formed tetrahedral scaffolds in intermixing experiments with linkers of higher flexibility. Thus, a new generation of versatile isocyanurate-based linkers was established.

  4. Tetrahedral global minimum for the 98-atom Lennard-Jones cluster.

    PubMed

    Leary, R H; Doye, J P

    1999-12-01

    An unusual atomic cluster structure corresponding to the global minimum of the 98-atom Lennard-Jones cluster has been found using a variant of the basin-hopping global optimization algorithm. The structure has tetrahedral symmetry and an energy of -543.665 361 epsilon, which is 0.022 404 epsilon lower than the previous lowest-energy minimum. The LJ(98) structure is of particular interest because its tetrahedral symmetry establishes it as one of only three types of exception to the general pattern of icosahedral structural motifs for optimal LJ microclusters. Similar to the other exceptions the global minimum is difficult to find because it is at the bottom of a narrow funnel that only becomes thermodynamically most stable at low temperature. PMID:11970625

  5. Atomic Scale Picture of the Ion Conduction Mechanism in Tetrahedral Network of Lanthanum Barium Gallate

    SciTech Connect

    Jalarvo, Niina H; Gourdon, Olivier; Bi, Zhonghe; Gout, Delphine J; Ohl, Michael E; Paranthaman, Mariappan Parans

    2013-01-01

    Combined experimental study of impedance spectroscopy, neutron powder diffraction and quasielastic neutron scattering was performed to shed light into the atomic scale ion migration processes in proton and oxide ion conductor; La0.8Ba1.2GaO3.9 . This material consist of tetrahedral GaO4 units, which are rather flexible and rocking motion of these units promotes the ionic migration process. The oxide ion (vacancy) conduction takes place on channels along c axis, involving a single elementary step, which occurs between adjacent tetrahedron (inter-tetrahedron jump). The proton conduction mechanism consists of intra-tetrahedron and inter-tetrahedron elementary processes. The intra-tetrahedron proton transport is the rate-limiting process, with activation energy of 0.44 eV. The rocking motion of the GaO4 tetrahedron aids the inter-tetrahedral proton transport, which has the activation energy of 0.068 eV.

  6. Flexibility of C3h -Symmetrical Linkers in Tris-oligonucleotide-Based Tetrahedral Scaffolds.

    PubMed

    Panagiotidis, Christos; Kath-Schorr, Stephanie; von Kiedrowski, Günter

    2016-02-01

    Flexibility of tris-oligonucleotides is determined by the length of their connecting hydrocarbon chains. Tris-oligonucleotides are branched DNA building blocks with three oligonucleotide arms attached to a C3h -symmetrical linker core at these chains. Four tris-oligonucleotides hybridise into a tetrahedral nanocage by sequence-determined self-assembly. The influence of methylene, ethylene and propylene chains was studied by synthesising sets of tris-oligonucleotides and analysing the relative stability of the hybridisation products against digestion by mung bean nuclease by using gel electrophoresis. Linkers with ethylene chains showed sufficient flexibility, whereas methylene-chain linkers were too rigid. Tris-oligonucleotides based on the latter still formed tetrahedral scaffolds in intermixing experiments with linkers of higher flexibility. Thus, a new generation of versatile isocyanurate-based linkers was established. PMID:26593127

  7. Low symmetry tetrahedral nematic liquid crystal phases: Ambidextrous chirality and ambidextrous helicity.

    PubMed

    Pleiner, Harald; Brand, Helmut R

    2014-02-01

    We discuss the symmetry properties as well as the dynamic behavior of various non-polar nematic liquid crystal phases with tetrahedral order. We concentrate on systems that show biaxial nematic order coexisting with octupolar (tetrahedral) order. Non-polar examples are phases with D2 and S4 symmetries, which can be characterized as biaxial nematics lacking inversion symmetry. It is this combination that allows for new features in the statics and dynamics of these phases. The D2-symmetric phase is chiral, even for achiral molecules, and shows ambidextrous chirality in all three preferred directions. The achiral S4-symmetric phase allows for ambidextrous helicity, similar to the higher-symmetric D2d-symmetric phase. Such phases are candidates for nematic phases made from banana-shaped molecules.

  8. Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

    SciTech Connect

    Zhao, Xin; Wu, Shunqing; Lv, Xiaobao; Nguyen, Manh Cuong; Wang, Cai -Zhuang; Lin, Zijing; Zhu, Zi -Zhong; Ho, Kai -Ming

    2015-10-26

    Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures, we discovered many other different tetrahedral-network-based crystal structures which are highly degenerate in energy. In addition, these structures can be classified into structures with 1D, 2D and 3D M-Si-O frameworks. A clear trend of the structural preference in different systems was revealed and possible indicators that affect the structure stabilities were introduced. For the case of Na systems which have been much less investigated in the literature relative to the Li systems, we predicted their ground state structures and found evidence for the existence of new structural motifs.

  9. Fostering Teacher Development to a Tetrahedral Orientation in the Teaching of Chemistry

    NASA Astrophysics Data System (ADS)

    Lewthwaite, Brian; Wiebe, Rick

    2011-11-01

    This paper reports on the initial outcomes from the end of the fourth year of a 5 year research and professional development project to improve chemistry teaching among three cohorts of chemistry teachers in Manitoba, Canada. The project responds to a new curriculum introduction advocating a tetrahedral orientation (Mahaffy, Journal of Chemical Education 83(1), 49-55, 2006) to the teaching of chemistry. The project in its entirety is based upon several theoretical models in fostering chemistry teacher development (in particular Bronfenbrenner's bio-ecological model). These models are described, as is the progress made by teachers based upon the use of a Chemistry Teacher Inventory and associated teacher responses. Overall, statistical analysis of perceptions of their own teaching and comments made by teachers suggests they are showing limited development towards a tetrahedral orientation, albeit in a manner consistent with the curriculum. Ongoing research-based activities in this project are also described.

  10. Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

    PubMed Central

    Zhao, Xin; Wu, Shunqing; Lv, Xiaobao; Nguyen, Manh Cuong; Wang, Cai-Zhuang; Lin, Zijing; Zhu, Zi-Zhong; Ho, Kai-Ming

    2015-01-01

    Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures, we discovered many other different tetrahedral-network-based crystal structures which are highly degenerate in energy. These structures can be classified into structures with 1D, 2D and 3D M-Si-O frameworks. A clear trend of the structural preference in different systems was revealed and possible indicators that affect the structure stabilities were introduced. For the case of Na systems which have been much less investigated in the literature relative to the Li systems, we predicted their ground state structures and found evidence for the existence of new structural motifs. PMID:26497381

  11. Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

    DOE PAGES

    Zhao, Xin; Wu, Shunqing; Lv, Xiaobao; Nguyen, Manh Cuong; Wang, Cai -Zhuang; Lin, Zijing; Zhu, Zi -Zhong; Ho, Kai -Ming

    2015-10-26

    Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures, we discovered many other different tetrahedral-network-based crystal structures which are highly degenerate in energy. In addition, these structures can be classified into structures with 1D, 2D and 3D M-Si-O frameworks. A clear trend of the structural preference in different systems was revealed and possible indicators that affect the structure stabilities were introduced. For the case of Na systems which have been muchmore » less investigated in the literature relative to the Li systems, we predicted their ground state structures and found evidence for the existence of new structural motifs.« less

  12. Near-field testing of the 5-meter model of the tetrahedral truss antenna

    NASA Technical Reports Server (NTRS)

    Kefauver, Neill; Cencich, Tom; Osborn, Jim; Osmanski, J. T.

    1986-01-01

    This report documents the technical results from near-field testing of the General Dynamics 5-meter model of the tetrahedral truss antenna at the Martin Marietta Denver Aerospace facility. A 5-meter square side of the tetrahedral served as the perimeter of the antenna, and a mesh surface and extensive surface contouring cord network was used to create a parabolic aperture shape to within an rms accuracy of 30 mils or better. Pattern measurements were made with offset feed systems radiating at frequencies of 7.73, 11.60, 2.27, and 4.26 (all in GHz). This report discusses the method of collecting the data, system measurement accuracy, the test data compiled, and diagostics and isolation of causes of pattern results. The technique of using near-field phase for measuring surface mechanical tolerances is included. Detailed far field antenna patterns and their implications are provided for all tests conducted.

  13. De novo structure-based design of bisurea hosts for tetrahedral oxyanion guests

    SciTech Connect

    Bryantsev, Vyacheslav; Hay, Benjamin P.

    2006-02-15

    This paper presents a computational approach to the deliberate design of improved host architectures. De novo molecule building software, HostDesigner, is interfaced with molecular mechanics software, GMMX, providing a tool for generating and screening millions of potential structures. The efficacy of this computer-aided design methodology is illustrated with a search for bis-urea podands that are structurally organized for complexation with tetrahedral oxyanions.

  14. A Reactor Pressure Vessel Dosimetry Calculation Using ATTILA, An Unstructured Tetrahedral Mesh Discrete-Ordinates Code

    SciTech Connect

    Wareing, T.A.; Parsons, D.K.; Pautz, S.

    1997-12-31

    Recently, a new state-of-the-art discrete-ordinates code, ATTILA, was developed. ATTILA provides the capabilities to solve geometrically complex 3-D transport problems by using an unstructured tetrahedral mesh. In this paper we describe the application of ATTILA to a 3-D reactor pressure vessel dosimetry problem. We provide numerical results from ATTILA and the Monte Carlo code, MCNP. The results demonstrate the effectiveness and efficiency of ATTILA for such calculations.

  15. A first collision source method for ATTILA, an unstructured tetrahedral mesh discrete ordinates code

    SciTech Connect

    Wareing, T.A.; Morel, J.E.; Parsons, D.K.

    1998-12-01

    A semi-analytic first collision source method is developed for the transport code, ATTILA, a three-dimensional, unstructured tetrahedral mesh, discrete-ordinates code. This first collision source method is intended to mitigate ray effects due to point sources. The method is third-order accurate, which is the same order of accuracy as the linear-discontinuous spatial differencing scheme used in ATTILA. Numerical results are provided to demonstrate the accuracy and efficiency of the first collision source method.

  16. Symmetric quadratic Hamiltonians with pseudo-Hermitian matrix representation

    NASA Astrophysics Data System (ADS)

    Fernández, Francisco M.

    2016-06-01

    We prove that any symmetric Hamiltonian that is a quadratic function of the coordinates and momenta has a pseudo-Hermitian adjoint or regular matrix representation. The eigenvalues of the latter matrix are the natural frequencies of the Hamiltonian operator. When all the eigenvalues of the matrix are real, then the spectrum of the symmetric Hamiltonian is real and the operator is Hermitian. As illustrative examples we choose the quadratic Hamiltonians that model a pair of coupled resonators with balanced gain and loss, the electromagnetic self-force on an oscillating charged particle and an active LRC circuit.

  17. Quadratic α‧-corrections to heterotic double field theory

    NASA Astrophysics Data System (ADS)

    Lee, Kanghoon

    2015-10-01

    We investigate α‧-corrections of heterotic double field theory up to quadratic order in the language of supersymmetric O (D, D + dim ⁡ G) gauged double field theory. After introducing double-vielbein formalism with a parametrization which reproduces heterotic supergravity, we show that supersymmetry for heterotic double field theory up to leading order α‧-correction is obtained from supersymmetric gauged double field theory. We discuss the necessary modifications of the symmetries defined in supersymmetric gauged double field theory. Further, we construct supersymmetric completion at quadratic order in α‧.

  18. Design of robust-stable and quadratic finite-horizon optimal controllers with low trajectory sensitivity for uncertain active suspension systems

    NASA Astrophysics Data System (ADS)

    Chen, Shinn-Horng; Chou, Jyh-Horng; Zheng, Liang-An; Lin, Sheng-Kai

    2010-08-01

    This paper presents a design method for designing the robust-stable and quadratic-finite-horizon-optimal controllers of uncertain active suspension systems. The method integrates a robust stabilisability condition, the orthogonal functions approach (OFA) and the hybrid Taguchi-genetic algorithm (HTGA). Using the integrative computational method, a robust-stable and quadratic-finite-horizon-optimal controller with low-trajectory sensitivity can be obtained such that (i) the active suspension system with elemental parametric uncertainties is stabilised and (ii) a quadratic-finite-horizon-integral performance index including a quadratic trajectory sensitivity term for the nominal active suspension system is minimised. The robust stabilisability condition is proposed in terms of linear matrix inequalities (LMIs). Based on the OFA, an algebraic algorithm only involving the algebraic computation is derived for solving the nominal active suspension feedback dynamic equations. By using the OFA and the LMI-based robust stabilisability condition, the dynamic optimisation problem for the robust-stable and quadratic-finite-horizon-optimal controller design of the linear uncertain active suspension system is transformed into a static-constrained-optimisation problem represented by the algebraic equations with constraint of LMI-based robust stabilisability condition; thus greatly simplifies the design problem. Then, for the static-constrained-optimisation problem, the HTGA is employed to find the robust-stable and quadratic-finite-horizon-optimal controllers of the linear uncertain active suspension systems. A design example is given to demonstrate the applicability of the proposed integrative computational approach.

  19. Tetrahedral finite-volume solutions to the Navier-Stokes equations on complex configurations

    NASA Astrophysics Data System (ADS)

    Frink, N. T.; Pirzadeh, S. Z.

    1999-09-01

    A review of the algorithmic features and capabilities of the unstructured-grid flow solver USM3Dns is presented. This code, along with the tetrahedral grid generator, VGRIDns, is being extensively used throughout the USA for solving the Euler and Navier-Stokes equations on complex aerodynamic problems. Spatial discretization is accomplished by a tetrahedral cell-centered finite-volume formulation using Roe's upwind flux difference splitting. The fluxes are limited by either a Superbee or MinMod limiter. Solution reconstruction within the tetrahedral cells is accomplished with a simple, but novel, multidimensional analytical formula. Time is advanced by an implicit backward-Euler time-stepping scheme. Flow turbulence effects are modeled by the Spalart-Allmaras one-equation model, which is coupled with a wall function to reduce the number of cells in the near-wall region of the boundary layer. The issues of accuracy and robustness of USM3Dns Navier-Stokes capabilities are addressed for a flat-plate boundary layer, and a full F-16 aircraft with external stores at transonic speed.

  20. Simulation of Stagnation Region Heating in Hypersonic Flow on Tetrahedral Grids

    NASA Technical Reports Server (NTRS)

    Gnoffo, Peter A.

    2007-01-01

    Hypersonic flow simulations using the node based, unstructured grid code FUN3D are presented. Applications include simple (cylinder) and complex (towed ballute) configurations. Emphasis throughout is on computation of stagnation region heating in hypersonic flow on tetrahedral grids. Hypersonic flow over a cylinder provides a simple test problem for exposing any flaws in a simulation algorithm with regard to its ability to compute accurate heating on such grids. Such flaws predominantly derive from the quality of the captured shock. The importance of pure tetrahedral formulations are discussed. Algorithm adjustments for the baseline Roe / Symmetric, Total-Variation-Diminishing (STVD) formulation to deal with simulation accuracy are presented. Formulations of surface normal gradients to compute heating and diffusion to the surface as needed for a radiative equilibrium wall boundary condition and finite catalytic wall boundary in the node-based unstructured environment are developed. A satisfactory resolution of the heating problem on tetrahedral grids is not realized here; however, a definition of a test problem, and discussion of observed algorithm behaviors to date are presented in order to promote further research on this important problem.

  1. Tetrahedral Finite-Volume Solutions to the Navier-Stokes Equations on Complex Configurations

    NASA Technical Reports Server (NTRS)

    Frink, Neal T.; Pirzadeh, Shahyar Z.

    1998-01-01

    A review of the algorithmic features and capabilities of the unstructured-grid flow solver USM3Dns is presented. This code, along with the tetrahedral grid generator, VGRIDns, is being extensively used throughout the U.S. for solving the Euler and Navier-Stokes equations on complex aerodynamic problems. Spatial discretization is accomplished by a tetrahedral cell-centered finite-volume formulation using Roe's upwind flux difference splitting. The fluxes are limited by either a Superbee or MinMod limiter. Solution reconstruction within the tetrahedral cells is accomplished with a simple, but novel, multidimensional analytical formula. Time is advanced by an implicit backward-Euler time-stepping scheme. Flow turbulence effects are modeled by the Spalart-Allmaras one-equation model, which is coupled with a wall function to reduce the number of cells in the near-wall region of the boundary layer. The issues of accuracy and robustness of USM3Dns Navier-Stokes capabilities are addressed for a flat-plate boundary layer, and a full F-16 aircraft with external stores at transonic speed.

  2. A FAST ITERATIVE METHOD FOR SOLVING THE EIKONAL EQUATION ON TETRAHEDRAL DOMAINS.

    PubMed

    Fu, Zhisong; Kirby, Robert M; Whitaker, Ross T

    2013-01-01

    Generating numerical solutions to the eikonal equation and its many variations has a broad range of applications in both the natural and computational sciences. Efficient solvers on cutting-edge, parallel architectures require new algorithms that may not be theoretically optimal, but that are designed to allow asynchronous solution updates and have limited memory access patterns. This paper presents a parallel algorithm for solving the eikonal equation on fully unstructured tetrahedral meshes. The method is appropriate for the type of fine-grained parallelism found on modern massively-SIMD architectures such as graphics processors and takes into account the particular constraints and capabilities of these computing platforms. This work builds on previous work for solving these equations on triangle meshes; in this paper we adapt and extend previous two-dimensional strategies to accommodate three-dimensional, unstructured, tetrahedralized domains. These new developments include a local update strategy with data compaction for tetrahedral meshes that provides solutions on both serial and parallel architectures, with a generalization to inhomogeneous, anisotropic speed functions. We also propose two new update schemes, specialized to mitigate the natural data increase observed when moving to three dimensions, and the data structures necessary for efficiently mapping data to parallel SIMD processors in a way that maintains computational density. Finally, we present descriptions of the implementations for a single CPU, as well as multicore CPUs with shared memory and SIMD architectures, with comparative results against state-of-the-art eikonal solvers. PMID:25221418

  3. Ultrahigh-Resolution {gamma}-Ray Spectroscopy of {sup 156}Gd: A Test of Tetrahedral Symmetry

    SciTech Connect

    Jentschel, M.; Krempel, J.; Urban, W.; Tonev, D.; Petkov, P.; Dudek, J.; Curien, D.; Lauss, B.; Angelis, G. de

    2010-06-04

    Tetrahedral symmetry in strongly interacting systems would establish a new class of quantum effects at subatomic scale. Excited states in {sup 156}Gd that could carry the information about the tetrahedral symmetry were populated in the {sup 155}Gd(n,{gamma}){sup 156}Gd reaction and studied using the GAMS4/5 Bragg spectrometers at the Institut Laue-Langevin. We have identified the 5{sub 1}{sup -{yields}}3{sub 1}{sup -} transition of 131.983(12) keV in {sup 156}Gd and determined its intensity to be 1.9(3)x10{sup -6} per neutron capture. The lifetime {tau}=220{sub -30}{sup +180}fs of the 5{sub 1}{sup -} state in {sup 156}Gd has been measured using the GRID technique. The resulting B(E2)=293{sub -134}{sup +61}Weisskopf unit rate of the 131.983 keV transition provides the intrinsic quadrupole moment of the 5{sub 1}{sup -} state in {sup 156}Gd to be Q{sub 0}=7.1{sub -1.6}{sup +0.7} b. This large value, comparable to the quadrupole moment of the ground state in {sup 156}Gd, gives strong evidence against tetrahedral symmetry in the lowest odd-spin, negative-parity band of {sup 156}Gd.

  4. Formation of pyramid elements for hexahedra to tetrahedra transitions

    SciTech Connect

    OWEN,STEVEN J.; SAIGAL,SUNIL

    2000-02-24

    New algorithms are proposed for the modification of a mixed hexahedra-tetrahedra element mesh to maintain compatibility by the insertion of pyramid elements. Several methods for generation of the pyramids are presented involving local tetrahedral transformations and/or node insertion near the hex/tet interface. Local smoothing and topological operations improve the quality of the transition region. Results show superior performance of the resulting elements in a commercial finite element code over non-conforming interface conditions.

  5. On the influence of tetrahedral covalent-hybridization on electronic band structure of topological insulators from first principles

    SciTech Connect

    Zhang, X. M.; Xu, G. Z.; Liu, E. K.; Wang, W. H. Wu, G. H.; Liu, Z. Y.

    2015-01-28

    Based on first-principles calculations, we investigate the influence of tetrahedral covalent-hybridization between main-group and transition-metal atoms on the topological band structures of binary HgTe and ternary half-Heusler compounds, respectively. Results show that, for the binary HgTe, when its zinc-blend structure is artificially changed to rock-salt one, the tetrahedral covalent-hybridization will be removed and correspondingly the topologically insulating band character lost. While for the ternary half-Heusler system, the strength of covalent-hybridization can be tuned by varying both chemical compositions and atomic arrangements, and the competition between tetrahedral and octahedral covalent-hybridization has been discussed in details. As a result, we found that a proper strength of tetrahedral covalent-hybridization is probably in favor to realizing the topologically insulating state with band inversion occurring at the Γ point of the Brillouin zone.

  6. Tetrahedral lander

    NASA Technical Reports Server (NTRS)

    Roberts, Michael L. (Inventor)

    1993-01-01

    An apparatus and method is disclosed for decelerating and absorbing impact of a re-entry vehicle suitable for payloads that are relatively light as well as payloads weighing several tons or more. The apparatus includes four inflatable legs displaced equidistantly from each other around a capsule or housing which contains a payload. The legs are inflated at a designated altitude after entering earth's atmosphere to slow the descent of the re-entry vehicle. Connected between each of the four legs are drag inducing surfaces that deploy as the legs inflate. The drag inducing surfaces are triangularly shaped with one such surface being connected between each pair of legs for a total of six drag inducing surfaces. The legs have drag inducing outer surfaces which act to slow the descent of the re-entry vehicle.

  7. Tuning a fuzzy controller using quadratic response surfaces

    NASA Technical Reports Server (NTRS)

    Schott, Brian; Whalen, Thomas

    1992-01-01

    Response surface methodology, an alternative method to traditional tuning of a fuzzy controller, is described. An example based on a simulated inverted pendulum 'plant' shows that with (only) 15 trial runs, the controller can be calibrated using a quadratic form to approximate the response surface.

  8. Radar Rainfall Estimation using a Quadratic Z-R equation

    NASA Astrophysics Data System (ADS)

    Hall, Will; Rico-Ramirez, Miguel Angel; Kramer, Stefan

    2016-04-01

    The aim of this work is to test a method that enables the input of event based drop size distributions to alter a quadratic reflectivity (Z) to rainfall (R) equation that is limited by fixed upper and lower points. Results will be compared to the Marshall-Palmer Z-R relation outputs and validated by a network of gauges and a single polarisation weather radar located close to Essen, Germany. The time window over which the drop size distribution measurements will be collected is varied to note any effect on the generated quadratic Z-R relation. The new quadratic algorithm shows some distinct improvement over the Marshall-Palmer relationship through multiple events. The inclusion of a minimum number of Z-R points helped to decrease the associated error by defaulting back to the Marshall-Palmer equation if the limit was not reached. More research will be done to discover why the quadratic performs poorly in some events as there appears to be little correlation between number of drops or mean rainfall amount and the associated error. In some cases it seems the spatial distribution of the disdrometers has a significant effect as a large percentage of the rain bands pass to the north of two of the three disdrometers, frequently in a slightly north-easterly direction. However during widespread precipitation events the new algorithm works very well with reductions compared to the Marshall-Palmer relation.

  9. A Unified Approach to Teaching Quadratic and Cubic Equations.

    ERIC Educational Resources Information Center

    Ward, A. J. B.

    2003-01-01

    Presents a simple method for teaching the algebraic solution of cubic equations via completion of the cube. Shows that this method is readily accepted by students already familiar with completion of the square as a method for quadratic equations. (Author/KHR)

  10. Canonical realization of Bondi-Metzner-Sachs symmetry: Quadratic Casimir

    NASA Astrophysics Data System (ADS)

    Gomis, Joaquim; Longhi, Giorgio

    2016-01-01

    We study the canonical realization of Bondi-Metzner-Sacks symmetry for a massive scalar field introduced by Longhi and Materassi [J. Math. Phys. 40, 480 (1999)]. We construct an invariant scalar product for the generalized momenta. As a consequence we introduce a quadratic Casimir with the supertranslations.

  11. Finding the Best Quadratic Approximation of a Function

    ERIC Educational Resources Information Center

    Yang, Yajun; Gordon, Sheldon P.

    2011-01-01

    This article examines the question of finding the best quadratic function to approximate a given function on an interval. The prototypical function considered is f(x) = e[superscript x]. Two approaches are considered, one based on Taylor polynomial approximations at various points in the interval under consideration, the other based on the fact…

  12. Visualising the Complex Roots of Quadratic Equations with Real Coefficients

    ERIC Educational Resources Information Center

    Bardell, Nicholas S.

    2012-01-01

    The roots of the general quadratic equation y = ax[superscript 2] + bx + c (real a, b, c) are known to occur in the following sets: (i) real and distinct; (ii) real and coincident; and (iii) a complex conjugate pair. Case (iii), which provides the focus for this investigation, can only occur when the values of the real coefficients a, b, and c are…

  13. Analyzing Quadratic Unconstrained Binary Optimization Problems Via Multicommodity Flows

    PubMed Central

    Wang, Di; Kleinberg, Robert D.

    2009-01-01

    Quadratic Unconstrained Binary Optimization (QUBO) problems concern the minimization of quadratic polynomials in n {0, 1}-valued variables. These problems are NP-complete, but prior work has identified a sequence of polynomial-time computable lower bounds on the minimum value, denoted by C2, C3, C4,…. It is known that C2 can be computed by solving a maximum-flow problem, whereas the only previously known algorithms for computing Ck (k > 2) require solving a linear program. In this paper we prove that C3 can be computed by solving a maximum multicommodity flow problem in a graph constructed from the quadratic function. In addition to providing a lower bound on the minimum value of the quadratic function on {0, 1}n, this multicommodity flow problem also provides some information about the coordinates of the point where this minimum is achieved. By looking at the edges that are never saturated in any maximum multicommodity flow, we can identify relational persistencies: pairs of variables that must have the same or different values in any minimizing assignment. We furthermore show that all of these persistencies can be detected by solving single-commodity flow problems in the same network. PMID:20161596

  14. Solving quadratic programming problems by delayed projection neural network.

    PubMed

    Yang, Yongqing; Cao, Jinde

    2006-11-01

    In this letter, the delayed projection neural network for solving convex quadratic programming problems is proposed. The neural network is proved to be globally exponentially stable and can converge to an optimal solution of the optimization problem. Three examples show the effectiveness of the proposed network.

  15. Analysis of Quadratic Diophantine Equations with Fibonacci Number Solutions

    ERIC Educational Resources Information Center

    Leyendekkers, J. V.; Shannon, A. G.

    2004-01-01

    An analysis is made of the role of Fibonacci numbers in some quadratic Diophantine equations. A general solution is obtained for finding factors in sums of Fibonacci numbers. Interpretation of the results is facilitated by the use of a modular ring which also permits extension of the analysis.

  16. Quadratic invariants for discrete clusters of weakly interacting waves

    NASA Astrophysics Data System (ADS)

    Harper, Katie L.; Bustamante, Miguel D.; Nazarenko, Sergey V.

    2013-06-01

    We consider discrete clusters of quasi-resonant triads arising from a Hamiltonian three-wave equation. A cluster consists of N modes forming a total of M connected triads. We investigate the problem of constructing a functionally independent set of quadratic constants of motion. We show that this problem is equivalent to an underlying basic linear problem, consisting of finding the null space of a rectangular M × N matrix {A} with entries 1, -1 and 0. In particular, we prove that the number of independent quadratic invariants is equal to J ≡ N - M* ⩾ N - M, where M* is the number of linearly independent rows in {A}. Thus, the problem of finding all independent quadratic invariants is reduced to a linear algebra problem in the Hamiltonian case. We establish that the properties of the quadratic invariants (e.g., locality) are related to the topological properties of the clusters (e.g., types of linkage). To do so, we formulate an algorithm for decomposing large clusters into smaller ones and show how various invariants are related to certain parts of a cluster, including the basic structures leading to M* < M. We illustrate our findings by presenting examples from the Charney-Hasegawa-Mima wave model, and by showing a classification of small (up to three-triad) clusters.

  17. Quadratic Expressions by Means of "Summing All the Matchsticks"

    ERIC Educational Resources Information Center

    Gierdien, M. Faaiz

    2012-01-01

    This note presents demonstrations of quadratic expressions that come about when particular problems are posed with respect to matchsticks that form regular triangles, squares, pentagons and so on. Usually when such "matchstick" problems are used as ways to foster algebraic thinking, the expressions for the number of matchstick quantities are…

  18. Confidence set interference with a prior quadratic bound. [in geophysics

    NASA Technical Reports Server (NTRS)

    Backus, George E.

    1989-01-01

    Neyman's (1937) theory of confidence sets is developed as a replacement for Bayesian interference (BI) and stochastic inversion (SI) when the prior information is a hard quadratic bound. It is recommended that BI and SI be replaced by confidence set interference (CSI) only in certain circumstances. The geomagnetic problem is used to illustrate the general theory of CSI.

  19. Recent Development in the CESE Method for the Solution of the Navier-Stokes Equations Using Unstructured Triangular or Tetrahedral Meshes With High Aspect Ratio

    NASA Technical Reports Server (NTRS)

    Chang, Sin-Chung; Chang, Chau-Lyan; Yen, Joseph C.

    2013-01-01

    In the multidimensional CESE development, triangles and tetrahedra turn out to be the most natural building blocks for 2D and 3D spatial meshes. As such the CESE method is compatible with the simplest unstructured meshes and thus can be easily applied to solve problems with complex geometries. However, because the method uses space-time staggered stencils, solution decoupling may become a real nuisance in applications involving unstructured meshes. In this paper we will describe a simple and general remedy which, according to numerical experiments, has removed any possibility of solution decoupling. Moreover, in a real-world viscous flow simulation near a solid wall, one often encounters a case where a boundary with high curvature or sharp corner is surrounded by triangular/tetrahedral meshes of extremely high aspect ratio (up to 106). For such an extreme case, the spatial projection of a space-time compounded conservation element constructed using the original CESE design may become highly concave and thus its centroid (referred to as a spatial solution point) may lie far outside of the spatial projection. It could even be embedded beyond a solid wall boundary and causes serious numerical difficulties. In this paper we will also present a new procedure for constructing conservation elements and solution elements which effectively overcomes the difficulties associated with the original design. Another difficulty issue which was addressed more recently is the wellknown fact that accuracy of gradient computations involving triangular/tetrahedral grids deteriorates rapidly as the aspect ratio of grid cells increases. The root cause of this difficulty was clearly identified and several remedies to overcome it were found through a rigorous mathematical analysis. However, because of the length of the current paper and the complexity of mathematics involved, this new work will be presented in another paper.

  20. A study of the stabilization of tetrahedral adducts by trypsin and delta-chymotrypsin.

    PubMed Central

    Finucane, M D; Malthouse, J P

    1992-01-01

    delta-Chymotrypsin has been alkylated by 1-13C- and 2-13C-enriched tosylphenylalanylchloromethane. In the intact inhibitor derivative, signals due to the 1-13C- and 2-13C-enriched carbon atoms have chemical shifts which titrate from 55.10 to 59.50 p.p.m. and from 99.10 to 103.66 p.p.m. respectively with similar pKa values of 8.99 and 8.85 respectively. These signals are assigned to a tetrahedral adduct formed between the hydroxy group of serine-195 and the inhibitor. An additional signal at 58.09 p.p.m. and at 204.85 p.p.m. in the 1-13C- and 2-13C-enzyme-inhibitor derivatives respectively does not titrate when the pH is changed and it is assigned to alkylated methionine-192. On denaturation/autolysis of the 1-13C-enriched enzyme-inhibitor derivative these signals associated with the intact inhibitor derivative are no longer detected, and a new signal, which titrates from 56.28 to 54.84 p.p.m. with a pKa of 5.26, is detected. The titration shift of this signal is assigned to the deprotonation of the imidazolium cation of alkylated histidine-57 in the denatured/autolysed enzyme-inhibitor derivative. Model compounds which form stable hydrates and hemiketals in aqueous solutions have been synthesized. By comparing the 13C titration shifts of these model compounds with those of the 13C enriched trypsin- and delta-chymotrypsin-inhibitor derivatives, we deduce that, in both of the intact enzyme-inhibitor derivatives, the zwitterionic tetrahedral adduct containing the imidazolium cation of histidine-57 and the hemiketal oxyanion predominates at alkaline pH values. It is estimated that in both the trypsin and delta-chymotrypsin-inhibitor derivatives the concentration of this zwitterionic tetrahedral adduct is 10,000-fold greater than it would be in water. We conclude that the pKa of the oxyanion of the hemiketal in the presence of the imidazolium cation of histidine-57 is 7.9 and 8.9 in the trypsin and delta-chymotrypsin-inhibitor derivatives respectively and that the p

  1. Chemical Excision of Tetrahedral FeSe2 Chains from the Superconductor FeSe: Synthesis, Crystal Structure, and Magnetism of Fe3Se4(en)2

    PubMed Central

    Pak, Chongin; Kamali, Saeed; Pham, Joyce; Lee, Kathleen; Greenfield, Joshua T.; Kovnir, Kirill

    2014-01-01

    Fragments of the superconducting FeSe layer, FeSe2 tetrahedral chains, were stabilized in the crystal structure of a new mixed-valent compound Fe3Se4(en)2 (en = ethylenediamine) synthesized from elemental Fe and Se. The FeSe2 chains are separated from each other by means of Fe(en)2 linkers. Mössbauer spectroscopy and magnetometry reveal strong magnetic interactions within the FeSe2 chains which result in antiferromagnetic ordering below 170 K. According to DFT calculations, anisotropic transport and magnetic properties are expected for Fe3Se4(en)2. This compound offers a unique way to manipulate the properties of the Fe-Se infinite fragments by varying the topology and charge of the Fe-amino linkers. PMID:24299423

  2. An artificial-viscosity method for the lagrangian analysis of shocks in solids with strength on unstructured, arbitrary-order tetrahedral meshes

    NASA Astrophysics Data System (ADS)

    Lew, A.; Radovitzky, R.; Ortiz, M.

    2001-05-01

    We present an artificial viscosity scheme tailored to finite-deformation Lagrangian calculations of shocks in materials with or without strength on unstructured tetrahedral meshes of arbitrary order. The artificial viscous stresses are deviatoric and satisfy material-frame indifference exactly. We have assessed the performance of the method on selected tests, including: a two-dimensional shock tube problem on an ideal gas; a two-dimensional piston problem on tantalum without strength; and a three-dimensional plate impact problem on tantalum with strength. In all cases, the artificial viscosity scheme returns stable and ostensibly oscillation-free solutions on meshes which greatly underresolve the actual shock thickness. The scheme typically spreads the shock over 4 to 6 elements and captures accurately the shock velocities and jump conditions.

  3. A ROBUST ARBITRARILY HIGH ORDER TRANSPORT METHOD OF THE CHARACTERISTIC TYPE FOR UNSTRUCTURED TETRAHEDRAL GRIDS

    SciTech Connect

    R. M. Ferrer; Y. Y. Azmy

    2009-05-01

    We present a robust arbitrarily high order transport method of the characteristic type for unstructured tetrahedral grids. Previously encountered difficulties have been addressed through the reformulation of the method based on coordinate transformations, evaluation of the moments balance relation as a linear system of equations involving the expansion coefficients of the projected basis, and the asymptotic expansion of the integral kernels in the thin cell limit. The proper choice of basis functions for the high-order spatial expansion of the solution is discussed and its effect on problems involving scattering discussed. Numerical tests are presented to illustrate the beneficial effect of these improvements, and the improved robustness they yield.

  4. Island of Rare Earth Nuclei with Tetrahedral and Octahedral Symmetries: Possible Experimental Evidence

    SciTech Connect

    Dudek, J.; Dubray, N.; Pangon, V.; Dobaczewski, J.; Olbratowski, P.; Schunck, N.

    2006-08-18

    Calculations using realistic mean-field methods suggest the existence of nuclear shapes with tetrahedral T{sub d} and/or octahedral O{sub h} symmetries sometimes at only a few hundreds of keV above the ground states in some rare earth nuclei around {sup 156}Gd and {sup 160}Yb. The underlying single-particle spectra manifest exotic fourfold rather than Kramers's twofold degeneracies. The associated shell gaps are very strong, leading to a new form of shape coexistence in many rare earth nuclei. We present possible experimental evidence of the new symmetries based on the published experimental results--although an unambiguous confirmation will require dedicated experiments.

  5. Preliminary design of a large tetrahedral truss/hexagonal panel aerobrake structural system

    NASA Technical Reports Server (NTRS)

    Dorsey, John T.; Mikulas, Martin M., Jr.

    1990-01-01

    This paper introduces an aerobrake structural concept consisting of two primary components: (1) a lightweight erectable tetrahedral support truss, and (2) a heatshield composed of individual sandwich hexagonal panels which, when attached to the truss, function as a continuous aerobraking surface. A general preliminary analysis procedure to design the aerobrake components is developed, and values of the aerobrake design parameters which minimize the mass and packaging volume for a 120-foot-diameter aerobrake are determined. Sensitivity of the aerobrake design to variations in design parameters is also assessed.

  6. Approximation theory for LQG (Linear-Quadratic-Gaussian) optimal control of flexible structures

    NASA Technical Reports Server (NTRS)

    Gibson, J. S.; Adamian, A.

    1988-01-01

    An approximation theory is presented for the LQG (Linear-Quadratic-Gaussian) optimal control problem for flexible structures whose distributed models have bounded input and output operators. The main purpose of the theory is to guide the design of finite dimensional compensators that approximate closely the optimal compensator. The optimal LQG problem separates into an optimal linear-quadratic regulator problem and an optimal state estimation problem. The solution of the former problem lies in the solution to an infinite dimensional Riccati operator equation. The approximation scheme approximates the infinite dimensional LQG problem with a sequence of finite dimensional LQG problems defined for a sequence of finite dimensional, usually finite element or modal, approximations of the distributed model of the structure. Two Riccati matrix equations determine the solution to each approximating problem. The finite dimensional equations for numerical approximation are developed, including formulas for converting matrix control and estimator gains to their functional representation to allow comparison of gains based on different orders of approximation. Convergence of the approximating control and estimator gains and of the corresponding finite dimensional compensators is studied. Also, convergence and stability of the closed-loop systems produced with the finite dimensional compensators are discussed. The convergence theory is based on the convergence of the solutions of the finite dimensional Riccati equations to the solutions of the infinite dimensional Riccati equations. A numerical example with a flexible beam, a rotating rigid body, and a lumped mass is given.

  7. An analysis of spectral envelope-reduction via quadratic assignment problems

    NASA Technical Reports Server (NTRS)

    George, Alan; Pothen, Alex

    1994-01-01

    A new spectral algorithm for reordering a sparse symmetric matrix to reduce its envelope size was described. The ordering is computed by associating a Laplacian matrix with the given matrix and then sorting the components of a specified eigenvector of the Laplacian. In this paper, we provide an analysis of the spectral envelope reduction algorithm. We described related 1- and 2-sum problems; the former is related to the envelope size, while the latter is related to an upper bound on the work involved in an envelope Cholesky factorization scheme. We formulate the latter two problems as quadratic assignment problems, and then study the 2-sum problem in more detail. We obtain lower bounds on the 2-sum by considering a projected quadratic assignment problem, and then show that finding a permutation matrix closest to an orthogonal matrix attaining one of the lower bounds justifies the spectral envelope reduction algorithm. The lower bound on the 2-sum is seen to be tight for reasonably 'uniform' finite element meshes. We also obtain asymptotically tight lower bounds for the envelope size for certain classes of meshes.

  8. Gravitomagnetic effects in quadratic gravity with a scalar field

    NASA Astrophysics Data System (ADS)

    Finch, Andrew; Said, Jackson Levi

    2016-10-01

    The two gravitomagnetic effects which influence bodies orbiting around a gravitational source are the geodetic effect and the Lense-Thirring effect. The former describes the precession angle of the axis of a spinning gyroscope while in orbit around a nonrotating gravitational source whereas the latter provides a correction for this angle in the case of a spinning source. In this paper we derive the relevant equations in quadratic gravity and relate them to their equivalents in general relativity. Starting with an investigation into Kepler's third law in quadratic gravity with a scalar field, the effects of an axisymmetric and rotating gravitational source on an orbiting body in a circular, equatorial orbit are introduced.

  9. Design of Linear Quadratic Regulators and Kalman Filters

    NASA Technical Reports Server (NTRS)

    Lehtinen, B.; Geyser, L.

    1986-01-01

    AESOP solves problems associated with design of controls and state estimators for linear time-invariant systems. Systems considered are modeled in state-variable form by set of linear differential and algebraic equations with constant coefficients. Two key problems solved by AESOP are linear quadratic regulator (LQR) design problem and steady-state Kalman filter design problem. AESOP is interactive. User solves design problems and analyzes solutions in single interactive session. Both numerical and graphical information available to user during the session.

  10. Nonlocal quadratic Poisson algebras, monodromy map, and Bogoyavlensky lattices

    NASA Astrophysics Data System (ADS)

    Suris, Yuri B.

    1997-08-01

    A new Lax representation for the Bogoyavlensky lattice is found and its r-matrix interpretation is elaborated. The r-matrix structure turns out to be related to a highly nonlocal quadratic Poisson structure on a direct sum of associative algebras. The theory of such nonlocal structures is developed and the Poisson property of the monodromy map is worked out in the most general situation. Some problems concerning the duality of Lax representations are raised.

  11. Quantum integrals of motion for variable quadratic Hamiltonians

    SciTech Connect

    Cordero-Soto, Ricardo; Suazo, Erwin; Suslov, Sergei K.

    2010-09-15

    We construct integrals of motion for several models of the quantum damped oscillators in a framework of a general approach to the time-dependent Schroedinger equation with variable quadratic Hamiltonians. An extension of the Lewis-Riesenfeld dynamical invariant is given. The time-evolution of the expectation values of the energy-related positive operators is determined for the oscillators under consideration. A proof of uniqueness of the corresponding Cauchy initial value problem is discussed as an application.

  12. Discrete quadratic solitons with competing second-harmonic components

    SciTech Connect

    Setzpfandt, Frank; Pertsch, Thomas; Sukhorukov, Andrey A.

    2011-11-15

    We describe families of discrete solitons in quadratic waveguide arrays supported by competing cascaded nonlinear interactions between one fundamental and two second-harmonic modes. We characterize the existence, stability, and excitation dynamics of these solitons and show that their features may resemble those of solitons in saturable media. Our results also demonstrate that a power threshold may appear for soliton formation, leading to a suppression of beam self-focusing which explains recent experimental observations.

  13. Observers for Systems with Nonlinearities Satisfying an Incremental Quadratic Inequality

    NASA Technical Reports Server (NTRS)

    Acikmese, Ahmet Behcet; Corless, Martin

    2004-01-01

    We consider the problem of state estimation for nonlinear time-varying systems whose nonlinearities satisfy an incremental quadratic inequality. These observer results unifies earlier results in the literature; and extend it to some additional classes of nonlinearities. Observers are presented which guarantee that the state estimation error exponentially converges to zero. Observer design involves solving linear matrix inequalities for the observer gain matrices. Results are illustrated by application to a simple model of an underwater.

  14. A Riccati approach for constrained linear quadratic optimal control

    NASA Astrophysics Data System (ADS)

    Sideris, Athanasios; Rodriguez, Luis A.

    2011-02-01

    An active-set method is proposed for solving linear quadratic optimal control problems subject to general linear inequality path constraints including mixed state-control and state-only constraints. A Riccati-based approach is developed for efficiently solving the equality constrained optimal control subproblems generated during the procedure. The solution of each subproblem requires computations that scale linearly with the horizon length. The algorithm is illustrated with numerical examples.

  15. Measurement of quadratic electrogyration effect in castor oil

    NASA Astrophysics Data System (ADS)

    Izdebski, Marek; Ledzion, Rafał; Górski, Piotr

    2015-07-01

    This work presents a detailed analysis of electrogyration measurement in liquids with the usage of an optical polarimetric technique. Theoretical analysis of the optical response to an applied electric field is illustrated by experimental data for castor oil which exhibits natural optical activity, quadratic electro-optic effect and quadratic electrogyration effect. Moreover, the experimental data show that interaction of the oil with a pair of flat electrodes induces a significant dichroism and natural linear birefringence. The combination of these effects occurring at the same time complicates the procedure of measurements. It has been found that a single measurement is insufficient to separate the contribution of the electrogyration effect, but it is possible on the basis of several measurements performed with various orientations of the polarizer and the analyser. The obtained average values of the quadratic electrogyration coefficient β13 in castor oil at room temperature are from - 0.92 ×10-22 to - 1.44 ×10-22m2V-2 depending on the origin of the oil. Although this study is focused on measurements in castor oil, the presented analysis is much more general.

  16. Revisiting the naturalness problem: Who is afraid of quadratic divergences?

    NASA Astrophysics Data System (ADS)

    Aoki, Hajime; Iso, Satoshi

    2012-07-01

    It is widely believed that quadratic divergences severely restrict natural constructions of particle physics models beyond the standard model (SM). Supersymmetry provides a beautiful solution, but the recent LHC experiments have excluded large parameter regions of supersymmetric extensions of the SM. It will now be important to reconsider whether we have been misinterpreting the quadratic divergences in field theories. In this paper, we revisit the problem from the viewpoint of the Wilsonian renormalization group and argue that quadratic divergences—which can always be absorbed into a position of the critical surface—should be simply subtracted in model constructions. Such a picture gives another justification to the argument [W. A. Bardeen, Report No. FERMILAB-CONF-95-391-T] that the scale invariance of the SM, except for the soft-breaking terms, is an alternative solution to the naturalness problem. It also largely broadens possibilities of model constructions beyond the SM since we just need to take care of logarithmic divergences, which cause mixings of various physical scales and runnings of couplings.

  17. M4 @Si28 (M=Al,Ga): metal-encapsulated tetrahedral silicon fullerene.

    PubMed

    Gao, Yi; Zeng, X C

    2005-11-22

    It is known that silicon fullerenes cannot maintain perfect cage structures like carbon fullerenes. Previous density-functional theory calculations have shown that even with encapsulated species, nearly all endohedral silicon fullerenes exhibit highly puckered cage structures in comparison with their carbon counterparts. In this work, we present theoretical evidences that the tetrahedral fullerene cage Si(28) can be fully stabilized by encapsulating a tetrahedral metallic cluster (Al(4) or Ga(4)). To our knowledge, this is the first predicted endohedral silicon fullerene that can retain perfectly the same cage structure (without puckering) as the carbon fullerene counterpart (T(d)-C(28) fullerene). Density-functional theory calculations also suggest that the two endohedral metallosilicon fullerenes T(d)-M(4)@Si(28) (M=Al and Ga) can be chemically stable because both clusters have a large highest occupied molecular orbital-lowest unoccupied molecular orbital energy gap ( approximately 0.9 eV), strong spherical aromaticity (nucleus-independent chemical shift value of -36 and -44), and large binding and embedding energies.

  18. Arbitrarily High Order Transport Method of the Characteristic Type for Tetrahedral Grids

    SciTech Connect

    Azmy, YY

    2001-06-27

    A formalism is derived for the Arbitrarily High Order Transport (AHOT) method of the Characteristic type (AHOT-C) in three-dimensional geometry for unstructured grids (UG). The resulting equations are implemented in a computer code, AHOT-C-UG, in the C language. The transport solution on the unstructured grid is stored as two inter-linked lists of cell and face flux moments. This arrangement allows the transport sweep to select the order of evaluation dynamically so that the typical recursive ordering of the discrete ordinate's mesh sweep is maintained without the need to store a precomputed order for each ordinate. The dynamic cell sweep order thus reduces the memory demand without excessively increasing execution time. Comparison of AHOT-C-UG's solutions to fine mesh TORT solutions illustrate high accuracy of the new method. In particular, large half a million cell numerical tests illustrate a convergence rate for the error as O(h), where h is a measure of the longest edge in the tetrahedral grid. Execution time on a 700 MHz Intel Pentium III running Linux 2.4.0 is less than 0.2 ms per cell-angle sweep operation. Also the total memory requirement is of the order of 240 bytes per tetrahedral cell, where 64-bit arithmetic precision is employed throughout.

  19. Verification of the three-dimensional tetrahedral grid S{sub N} code THOR

    SciTech Connect

    Schunert, S.; Ferrer, R.; Azmy, Y.

    2013-07-01

    In this work current capabilities implemented in the novel, arbitrary-order, tetrahedral-grid short characteristics S{sub N} radiation transport code THOR are verified based on four benchmark problems: (1) A one-group Method of Manufactured Solution (MMS) problem on a cuboidal domain, (2) an infinite medium eigenvalue problem with up-scattering, (3) a homogeneous torus and (4) a bare cube eigenvalue problem with anisotropic scattering up to order three. The first benchmark problem exercises the various spatial discretization options available in THOR: The short characteristics method in conjunction with polynomial expansions of the source and face fluxes either using the complete or Lagrange family of arbitrary orders. Using the numerical solution's order of convergence test in the framework of a mesh refinement study, correct implementation of a selection of spatial expansion orders is demonstrated for two meshes with tetrahedral aspect ratios close to unity and 50. The second benchmark problem exercises the implementation of angular fluxes on reflective boundary faces that are implicit within a mesh sweep, and up-scattering. The third benchmark problem comprises cyclic dependencies within the mesh sweep thus exercising the algorithm devised for 'breaking' the cyclic dependencies. Finally, the fourth benchmark problem, a simple bare cube, is used to test correct implementation of the anisotropic scattering capability. For all test problems THOR obtains solutions that converge to the reference/exact solution with the expected rate thereby contributing to our confidence in the correctness of its tested features in the present implementation. (authors)

  20. A Reconstructed Discontinuous Galerkin Method for the Compressible Flows on Unstructured Tetrahedral Grids

    SciTech Connect

    Hong Luo; Yidong Xia; Robert Nourgaliev; Chunpei Cai

    2011-06-01

    A reconstruction-based discontinuous Galerkin (RDG) method is presented for the solution of the compressible Navier-Stokes equations on unstructured tetrahedral grids. The RDG method, originally developed for the compressible Euler equations, is extended to discretize viscous and heat fluxes in the Navier-Stokes equations using a so-called inter-cell reconstruction, where a smooth solution is locally reconstructed using a least-squares method from the underlying discontinuous DG solution. Similar to the recovery-based DG (rDG) methods, this reconstructed DG method eliminates the introduction of ad hoc penalty or coupling terms commonly found in traditional DG methods. Unlike rDG methods, this RDG method does not need to judiciously choose a proper form of a recovered polynomial, thus is simple, flexible, and robust, and can be used on unstructured grids. The preliminary results indicate that this RDG method is stable on unstructured tetrahedral grids, and provides a viable and attractive alternative for the discretization of the viscous and heat fluxes in the Navier-Stokes equations.

  1. Tetrahedral collapse: a rotational toy model of simultaneous dark-matter halo, filament and wall formation

    NASA Astrophysics Data System (ADS)

    Neyrinck, Mark C.

    2016-07-01

    We discuss an idealized model of halo formation, in which a collapsing halo node is tetrahedral, with a filament extruding from each of its four faces, and with a wall connecting each pair of filaments. In the model, filaments generally spin when they form, and the halo spins if and only if there is some rotation in filaments. This is the simplest possible fully three-dimensional halo collapse in the `origami approximation', in which voids are irrotational, and the dark-matter sheet out of which dark-matter structures form is allowed to fold in position-velocity phase space, but not stretch (i.e. it cannot vary in density along a stream). Up to an overall scaling, the four filament directions, and only three other quantities, such as filament spins, suffice to determine all of the collapse's properties: the shape, mass, and spin of the halo; the densities per unit length and spins of all filaments; and masses per unit area of the walls. If the filaments are arranged regular-tetrahedrally, filament properties obey simple laws, reminiscent of angular-momentum conservation. The model may be most useful in understanding spin correlations between neighbouring galaxies joined by filaments; these correlations would give intrinsic alignments between galaxies, essential to understand for accurate cosmological weak-lensing measurements.

  2. Liquid-liquid phase transition in a family of simple models of tetrahedral liquid

    NASA Astrophysics Data System (ADS)

    Buldyrev, Sergey; Franzese, Giancarlo; Giovambattista, Nicolas

    2013-03-01

    Liquids with tetrahedral symmetry of the first coordination shell often display anomalous thermodynamic and dynamic behavior. Sometimes, these anomalies are associated with the liquid-liquid phase transition at high pressures and low temperatures. We study a family of simple models with few parameters and investigate the conditions for the existence of the liquid-liquid phase transition. A molecule in these models consists of a hard sphere with a square well and four point particles attached to the center of the hard sphere by directional bonds arranged in tetrahedral geometry. We also impose a condition which does not allow a point particle in one molecule to include in its attractive well more than one point particle belonging to different molecules. We find an optimal range of flexibility of the bonds created by the point particles for which the model displays a clear liquid-liquid critical point in the accessible region of the phase diagram: too flexible bonds weaken the anomalies and destroy the critical point, while too rigid bonds slow down the diffusion and shift the critical point beyond the glass transition. We also investigate how minor changes in the model parameters influence crystallization which might make liquid-liquid unobservable.

  3. Identifying Vortex-Core-Line using a tetrahedral satellite configuration: Field Topology Approach

    NASA Astrophysics Data System (ADS)

    Jiang, Yao; Lembege, Bertrand; Nishikawa, Ken-ichi; Cai, DongSheng; Hasegawa, Hiroshi

    2016-04-01

    Identifying vortices are the key to understanding the turbulence in plasma shear layers. Here, the term 'vortex' or 'vortex core' is associated with a region of Galilean invariance [Jeong and Hussain, 1995]. Unfortunately, no single precise definition of a vortex is currently universally accepted, despite the fact that many space plasma authors claim that many observations have detected "vortices" (as Kelvin-Helmholtz vortices at/around the magnetopause). By using the four satellite velocity data, and Taylor series, we expand the velocity data around the satellites, calculate its first order tensor, and linearly approximate the field. We can identify the vortex structures by using various vortex identification criteria as follows: (i) The first criterion is Q-criterion that defines vortices as regions in which the vorticity energy prevails other energies; (ii) the second criterion is the lambda2-criterion that is related to the minus of the Hessian matrix of the pressure related term; and (iii) the third criterion requires the existence of vortex-core-lines that is the Galilean invariance inside the four satellite tetrahedral region. Using these methods, we can identify and analyze more precisely the 3D vortex using tetrahedral satellite configuration.

  4. Implementation of an Evolving non Quadratic Anisotropic Behaviour for the Closed Packed Materials

    SciTech Connect

    Revil-Baudard, Benoit; Massoni, Elisabeth

    2010-06-15

    In this paper, the mechanical behaviour of alpha-titanium alloys is modelised for the cold forming processes. The elasto-plastic constitutive law is decomposed in an anisotropic plastic criterion, an isotropic hardening and a kinematic hardening. Non quadratic criteria have been developed by Cazacu et al.[1], to model the plasticity of hexagonal closed packed materials. The implementation of this model in a finite element software switch between two bases, the equilibrium is calculated in a reference basis and the anisotropy axes define a local basis, updated by the deformation gradient. An identification procedure, based on tensile tests, allows defining all the parameters needed to model the elasto-plastic behaviour. Simulations of cold forming processes (bulging and deep drawing) have been done to validate this model. Numerical results are compared with experimental data, obtained from speckles analysis.

  5. A staggered space-time discontinuous Galerkin method for the three-dimensional incompressible Navier-Stokes equations on unstructured tetrahedral meshes

    NASA Astrophysics Data System (ADS)

    Tavelli, Maurizio; Dumbser, Michael

    2016-08-01

    unstructured meshes allows to discretize even complex physical domains with very coarse grids in both, space and time. The proposed method is verified for approximation polynomials of degree up to four in space and time by solving a series of typical 3D test problems and by comparing the obtained numerical results with available exact analytical solutions, or with other numerical or experimental reference data. To the knowledge of the authors, this is the first time that a space-time discontinuous Galerkin finite element method is presented for the three-dimensional incompressible Navier-Stokes equations on staggered unstructured tetrahedral grids.

  6. A unified multigrid solver for the Navier-Stokes equations on mixed element meshes

    NASA Technical Reports Server (NTRS)

    Mavriplis, D. J.; Venkatakrishnan, V.

    1995-01-01

    A unified multigrid solution technique is presented for solving the Euler and Reynolds-averaged Navier-Stokes equations on unstructured meshes using mixed elements consisting of triangles and quadrilaterals in two dimensions, and of hexahedra, pyramids, prisms, and tetrahedra in three dimensions. While the use of mixed elements is by no means a novel idea, the contribution of the paper lies in the formulation of a complete solution technique which can handle structured grids, block structured grids, and unstructured grids of tetrahedra or mixed elements without any modification. This is achieved by discretizing the full Navier-Stokes equations on tetrahedral elements, and the thin layer version of these equations on other types of elements, while using a single edge-based data-structure to construct the discretization over all element types. An agglomeration multigrid algorithm, which naturally handles meshes of any types of elements, is employed to accelerate convergence. An automatic algorithm which reduces the complexity of a given triangular or tetrahedral mesh by merging candidate triangular or tetrahedral elements into quadrilateral or prismatic elements is also described. The gains in computational efficiency afforded by the use of non-simplicial meshes over fully tetrahedral meshes are demonstrated through several examples.

  7. Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers.

    PubMed

    Zhang, Xin; Zhang, Xu; Johnson, Jacob A; Chen, Yu-Sheng; Zhang, Jian

    2016-07-13

    Two non-interpenetrated zirconium metal-organic frameworks (Zr-MOFs), NPF-200 and NPF-201, were synthesized via the assembly of elongated tetrahedral linkers with Zr6 and Zr8 clusters. They represent the first examples of MOFs to have the β-UH3-like, 4,12,12T1 topology. Upon activation, NPF-200 exhibits the largest BET surface area (5463 m(2) g(-1)) and void volume (81.6%) among all MOFs formed from tetrahedral ligands. Composed of negative-charged boron-centered tetrahedral linkers, NPF-201 is an anionic Zr-MOF which selectively uptakes photoactive [Ru(bpy)3](2+) for heterogeneous photo-oxidation of thioanisole. PMID:27341503

  8. Compact stellar models obeying quadratic equation of state

    NASA Astrophysics Data System (ADS)

    Bhar, Piyali; Singh, Ksh. Newton; Pant, Neeraj

    2016-10-01

    In present paper we obtain a new model of compact star by considering quadratic equation of state for the matter distribution and assuming a physically reasonable choice for metric coefficient g_{rr}. The solution is singularity free and well behaved inside the stellar interior. Several features are described analytically as well as graphically. From our analysis we have shown that our model is compatible with the observational data of the compact stars. We have discussed a detail analysis of neutron star PSR J1614-2230 via different graphs after determining all the constant parameters from boundary conditions.

  9. Rigorous performance bounds for quadratic and nested dynamical decoupling

    SciTech Connect

    Xia, Yuhou; Uhrig, Goetz S.; Lidar, Daniel A.

    2011-12-15

    We present rigorous performance bounds for the quadratic dynamical decoupling pulse sequence which protects a qubit from general decoherence, and for its nested generalization to an arbitrary number of qubits. Our bounds apply under the assumptions of instantaneous pulses and of bounded perturbing environment and qubit-environment Hamiltonians such as those realized by baths of nuclear spins in quantum dots. We prove that if the total sequence time is fixed then the trace-norm distance between the unperturbed and protected system states can be made arbitrarily small by increasing the number of applied pulses.

  10. Reaction Wheel Control Design Using Linear Quadratic Controller

    NASA Astrophysics Data System (ADS)

    Nubli Muhamad, Nur; Susanto, Erwin; Syihabuddin, Budi; Prasetya Dwi Wibawa, Ig.

    2016-01-01

    This paper studies the design of active attitude control system of a nanosatellite in a single axis. In this paper, we consider dc motor based reaction wheel as an actuator, because of its pointing accuracy. However, the power consumption of the dc motor is often relatively large and needed to be optimized. Linear quadratic controller is supposed to have an ability to minimize power consumption and able to enhance the system performance. To show the advantage of this method, simulation result of attitude response, state trajectory, and trajectory of DC motor voltage are presented.

  11. Frontogenesis driven by horizontally quadratic distributions of density

    NASA Technical Reports Server (NTRS)

    Jacqmin, David

    1991-01-01

    Attention is given to the quadratic density distribution in a channel, which has been established by Simpson and Linden to be the simplest case of the horizontally nonlinear distribution of fluid density required for the production of frontogenesis. The porous-media and Boussinesq flow models are examined, and their evolution equations are reduced to one-dimensional systems. While both the porous-media and the inviscid/nondiffusive Boussinesq systems exhibit classic frontogenesis behavior, the viscous Boussinesq system exhibits a more complex behavior: boundary-layer effects force frontogenesis away from the lower boundary, and at late times the steepest density gradients are close to mid-channel.

  12. Restart-Based Genetic Algorithm for the Quadratic Assignment Problem

    NASA Astrophysics Data System (ADS)

    Misevicius, Alfonsas

    The power of genetic algorithms (GAs) has been demonstrated for various domains of the computer science, including combinatorial optimization. In this paper, we propose a new conceptual modification of the genetic algorithm entitled a "restart-based genetic algorithm" (RGA). An effective implementation of RGA for a well-known combinatorial optimization problem, the quadratic assignment problem (QAP), is discussed. The results obtained from the computational experiments on the QAP instances from the publicly available library QAPLIB show excellent performance of RGA. This is especially true for the real-life like QAPs.

  13. Quantum mechanical study of a generic quadratically coupled optomechanical system

    NASA Astrophysics Data System (ADS)

    Shi, H.; Bhattacharya, M.

    2013-04-01

    Typical optomechanical systems involving optical cavities and mechanical oscillators rely on a coupling that varies linearly with the oscillator displacement. However, recently a coupling varying instead as the square of the mechanical displacement has been realized, presenting new possibilities for nondemolition measurements and mechanical squeezing. In this article we present a quantum mechanical study of a generic quadratic-coupling optomechanical Hamiltonian. First, neglecting dissipation, we provide analytical results for the dressed states, spectrum, phonon statistics and entanglement. Subsequently, accounting for dissipation, we supply a numerical treatment using a master equation approach. We expect our results to be of use to optomechanical spectroscopy, state transfer, wave-function engineering, and entanglement generation.

  14. Neural network for solving convex quadratic bilevel programming problems.

    PubMed

    He, Xing; Li, Chuandong; Huang, Tingwen; Li, Chaojie

    2014-03-01

    In this paper, using the idea of successive approximation, we propose a neural network to solve convex quadratic bilevel programming problems (CQBPPs), which is modeled by a nonautonomous differential inclusion. Different from the existing neural network for CQBPP, the model has the least number of state variables and simple structure. Based on the theory of nonsmooth analysis, differential inclusions and Lyapunov-like method, the limit equilibrium points sequence of the proposed neural networks can approximately converge to an optimal solution of CQBPP under certain conditions. Finally, simulation results on two numerical examples and the portfolio selection problem show the effectiveness and performance of the proposed neural network.

  15. Nios II hardware acceleration of the epsilon quadratic sieve algorithm

    NASA Astrophysics Data System (ADS)

    Meyer-Bäse, Uwe; Botella, Guillermo; Castillo, Encarnacion; García, Antonio

    2010-04-01

    The quadratic sieve (QS) algorithm is one of the most powerful algorithms to factor large composite primes used to break RSA cryptographic systems. The hardware structure of the QS algorithm seems to be a good fit for FPGA acceleration. Our new ɛ-QS algorithm further simplifies the hardware architecture making it an even better candidate for C2H acceleration. This paper shows our design results in FPGA resource and performance when implementing very long arithmetic on the Nios microprocessor platform with C2H acceleration for different libraries (GMP, LIP, FLINT, NRMP) and QS architecture choices for factoring 32-2048 bit RSA numbers.

  16. On a quadratic transformation due to Kummer and its generalizations

    NASA Astrophysics Data System (ADS)

    Shekhawat, Nidhi; Rathie, Arjun K.; Prakash, Om

    2016-05-01

    The aim of this paper is to obtain explicit expressions of (1-x ) -a2F1[a ,b 2 b +j ; -2/x 1 -x ] for j = 0, ±1,…, ±9. For j = 0, we have a well-known quadratic transformations formula of Kummer. The results are obtained by using the known hypergeometric identities available in the literature. Several known results obtained earlier by Kim, et al. follow special cases of our main findings. The results derived in this paper are simple, interesting and potentially useful in the applicable sciences.

  17. Quadratic integrand double-hybrid made spin-component-scaled

    NASA Astrophysics Data System (ADS)

    Brémond, Éric; Savarese, Marika; Sancho-García, Juan C.; Pérez-Jiménez, Ángel J.; Adamo, Carlo

    2016-03-01

    We propose two analytical expressions aiming to rationalize the spin-component-scaled (SCS) and spin-opposite-scaled (SOS) schemes for double-hybrid exchange-correlation density-functionals. Their performances are extensively tested within the framework of the nonempirical quadratic integrand double-hybrid (QIDH) model on energetic properties included into the very large GMTKN30 benchmark database, and on structural properties of semirigid medium-sized organic compounds. The SOS variant is revealed as a less computationally demanding alternative to reach the accuracy of the original QIDH model without losing any theoretical background.

  18. Comparative morphology of configurations with reduced part count derived from the octahedral-tetrahedral truss

    NASA Technical Reports Server (NTRS)

    Lalvani, Haresh; Collins, Timothy J.

    1991-01-01

    Morphology (the study of structure and form) of the octahedral-tetrahedral (octet) truss is described. Both the geometry and symmetry of the octet truss are considered. Morphological techniques based on symmetry operations are presented which enable the derivation of reduced-part-count truss configurations from the octet truss by removing struts and nodes. These techniques are unique because their Morphological origination and they allow for the systematic generation and analysis of a large variety of structures. Methods for easily determining the part count and redundancy of infinite truss configurations are presented. Nine examples of truss configurations obtained by applying the derivation techniques are considered. These configurations are structurally stable while at the same time exhibiting significant reductions in part count. Some practical and analytical considerations, such as structural performance, regarding the example reduced-part-count truss geometries are briefly discussed.

  19. First-principles study of anharmonic phonon effects in tetrahedral semiconductors via an external electric field

    NASA Astrophysics Data System (ADS)

    Dabiri, Zohreh; Kazempour, Ali; Sadeghzadeh, Mohammad Ali

    2016-11-01

    The strength of phonon anharmonicity is investigated in the framework of the Density Functional Perturbation Theory via an applied constant electric field. In contrast to routine approaches, we have employed the electric field as an effective probe to quest after the quasi-harmonic and anharmonic effects. Two typical tetrahedral semiconductors (diamond and silicon) have been selected to test the efficiency of this approach. In this scheme the applied field is responsible for establishing the perturbation and also inducing the anharmonicity in systems. The induced polarization is a result of changing the electronic density while ions are located at their ground state coordinates or at a specified strain. Employing this method, physical quantities of the semiconductors are calculated in presence of the electron-phonon interaction directly and, phonon-phonon interaction, indirectly. The present approach, which is in good agreement with previous theoretical and experimental studies, can be introduced as a benchmark to simply investigate the anharmonicity and pertinent consequences in materials.

  20. Electric dipole moments in {sup 230,232}U and implications for tetrahedral shapes

    SciTech Connect

    Ntshangase, S. S.; Bark, R. A.; Datta, P.; Lawrie, E. A.; Lawrie, J. J.; Lieder, R. M.; Mullins, S. M.; Aschman, D. G.; Mohammed, H.; Stankiewicz, M. A.; Bvumbi, S.; Masiteng, P. L.; Shirinda, O.; Davidson, P. M.; Nieminen, P.; Wilson, A. N.; Dinoko, T. S.; Sharpey-Shafer, J. F.; Elbasher, M. E. A.; Juhasz, K.

    2010-10-15

    The nuclei {sup 230}U and {sup 232}U were populated in the compound nucleus reactions {sup 232}Th({alpha},6n) and {sup 232}Th({alpha},4n), respectively. Gamma rays from these nuclei were observed in coincidence with a recoil detector. A comprehensive set of in-band E2 transitions were observed in the lowest lying negative-parity band of {sup 232}U while one E2 transition was also observed for {sup 230}U. These allowed B(E1;I{sup -{yields}}I{sup +}-1)/B(E2;I{sup -{yields}}I{sup -}-2) ratios to be extracted and compared with systematics. The values are similar to those of their Th and Ra isotones. The possibility of a tetrahedral shape for the negative-parity U bands appears difficult to reconcile with the measured Q{sub 2} values for the isotone {sup 226}Ra.

  1. Theoretical study of the O₂ interaction with a tetrahedral Al₄ cluster.

    PubMed

    Bacalis, N C; Metropoulos, A; Gross, A

    2010-11-01

    Employing both multireference configuration interaction (MRCI) and density functional theory (DFT) methods, we have studied the interaction of O₂ with a tetrahedral Al₄ cluster in the total spin triplet state. For a parallel to the base approach of O₂ facing an apex of the pyramid, the O₂ adsorption is hindered by a barrier. Both the MRCI and the DFT calculations show that after a small barrier, there are two local energy minima: a shallow one just above the apex atom and another deeper one below the apex atom. The latter corresponds to dissociative O₂ adsorption. We discuss the implications of these findings for the understanding of O₂ adsorption on defect sites of Al surfaces. PMID:20942497

  2. Single walled carbon nanotube network—Tetrahedral amorphous carbon composite film

    SciTech Connect

    Iyer, Ajai Liu, Xuwen; Koskinen, Jari; Kaskela, Antti; Kauppinen, Esko I.; Johansson, Leena-Sisko

    2015-06-14

    Single walled carbon nanotube network (SWCNTN) was coated by tetrahedral amorphous carbon (ta-C) using a pulsed Filtered Cathodic Vacuum Arc system to form a SWCNTN—ta-C composite film. The effects of SWCNTN areal coverage density and ta-C coating thickness on the composite film properties were investigated. X-Ray photoelectron spectroscopy measurements prove the presence of high quality sp{sup 3} bonded ta-C coating on the SWCNTN. Raman spectroscopy suggests that the single wall carbon nanotubes (SWCNTs) forming the network survived encapsulation in the ta-C coating. Nano-mechanical testing suggests that the ta-C coated SWCNTN has superior wear performance compared to uncoated SWCNTN.

  3. Tetrahedral iron in the active center of plant ferredoxins and beef adrenodoxin.

    PubMed

    Eaton, W A; Palmer, G; Fee, J A; Kimura, T; Lovenberg, W

    1971-12-01

    The coordination structure of the iron-sulfur complex in spinach ferredoxin and adrenodoxin is investigated by optical spectroscopy. The circular-dichroism and absorption spectra of these two-iron iron-sulfur proteins reveal weak electronic transitions in the near-infrared wavelength range, 0.8-2.5 mum (12,500-4000 cm(-1)). On the basis of the low absorption intensities and large anisotropy factors, d --> d transitions of the iron can be identified in the reduced proteins at about 4000 cm(-1) and 6000 cm(-1). The low energy of these one-center ligand-field transitions, together with the similarity to the ligand-field spectrum of the one-iron protein rubredoxin, leads to the conclusion that the reduced two-iron iron-sulfur proteins also contain a high-spin ferrous ion in a distorted tetrahedral site.

  4. Tetrahedral Amorphous Carbon (ta-C) Ultra Thin Films for Slider Overcoat Application

    NASA Astrophysics Data System (ADS)

    Shi, X.; Hu, Y. H.; Hu, L.

    Tetrahedral Amorphous Carbon (ta-C) thin film by using Filtered Cathodic Vacuum Arc (FCVA) technique has proven to be wear-resistive and corrosion resistant for a wide range of electrical, optical, and mechanical applications. Many investigations have shown that the ta-C film prepared by the FCVA technique can provide a superior ultra thin overcoat for the sliders and media compared to ECR-CVD and IBD coating technology. The ta-C film excels in terms of the film density, hardness, surface roughness and corrosion resistance. Nanofilm Technology International (NTI) has successfully developed and commercialized the FCVA coating system (FS series) for the slider overcoat application, which provides a good quality film with a high hardness (~50 GPa), low stress (2~3 GPa), low macro-particle density (~1/cm2 for particles > 0.3 μm), good uniformity (< 4%$ in 8 inch coating area) and high production repeatability (< 5%).

  5. Models of tetrahedral rare-earth clusters in cadmium fluoride crystals and paramagnetic resonance

    NASA Astrophysics Data System (ADS)

    Vazhenin, V. A.; Chernyshev, V. A.; Guseva, V. B.; Potapov, A. P.; Artyomov, M. Yu.

    2008-03-01

    The parameters of the zero-field level splitting of Gd3+ ions localized in three kinds of tetrahedral clusters are estimated within the superposition approximation. The structure of a cluster is determined by minimizing the energy of the crystal with the embedded cluster. As a result, the strong monoclinic EPR spectrum with b 20 = -345 MHz is attributed to the [CdY2CdF26] cluster and a weaker spectrum with b 20 ≈ -600 MHz is attributed to [Cd2YGdF26]. The difference between the absolute values of the calculated and experimental parameters b 20 is explained by the fact that the experimental spectrum is due to gadolinium ions located in clusters that are part of associations.

  6. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    PubMed Central

    Pereira, N F; Sitek, A

    2011-01-01

    Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated. PMID:20736496

  7. Electroweak vacuum stability and finite quadratic radiative corrections

    NASA Astrophysics Data System (ADS)

    Masina, Isabella; Nardini, Germano; Quiros, Mariano

    2015-08-01

    If the Standard Model (SM) is an effective theory, as currently believed, it is valid up to some energy scale Λ to which the Higgs vacuum expectation value is sensitive throughout radiative quadratic terms. The latter ones destabilize the electroweak vacuum and generate the SM hierarchy problem. For a given perturbative ultraviolet (UV) completion, the SM cutoff can be computed in terms of fundamental parameters. If the UV mass spectrum involves several scales, the cutoff is not unique and each SM sector has its own UV cutoff Λi. We have performed this calculation assuming the minimal supersymmetric standard model (MSSM) is the SM UV completion. As a result, from the SM point of view, the quadratic corrections to the Higgs mass are equivalent to finite threshold contributions. For the measured values of the top quark and Higgs masses, and depending on the values of the different cutoffs Λi, these contributions can cancel even at renormalization scales as low as multi-TeV, unlike the case of a single cutoff where the cancellation only occurs at Planckian energies, a result originally obtained by Veltman. From the MSSM point of view, the requirement of stability of the electroweak minimum under radiative corrections is incorporated into the matching conditions and provides an extra constraint on the focus point solution to the little hierarchy problem in the MSSM. These matching conditions can be employed for precise calculations of the Higgs sector in scenarios with heavy supersymmetric fields.

  8. Wave propagation in elastic medium with heterogeneous quadratic nonlinearity

    SciTech Connect

    Tang Guangxin; Jacobs, Laurence J.; Qu Jianmin

    2011-06-23

    This paper studies the one-dimensional wave propagation in an elastic medium with spatially non-uniform quadratic nonlinearity. Two problems are solved analytically. One is for a time-harmonic wave propagating in a half-space where the displacement is prescribed on the surface of the half-space. It is found that spatial non-uniformity of the material nonlinearity causes backscattering of the second order harmonic, which when combined with the forward propagating waves generates a standing wave in steady-state wave motion. The second problem solved is the reflection from and transmission through a layer of finite thickness embedded in an otherwise linearly elastic medium of infinite extent, where it is assumed that the layer has a spatially non-uniform quadratic nonlinearity. The results show that the transmission coefficient for the second order harmonic is proportional to the spatial average of the nonlinearity across the thickness of the layer, independent of the spatial distribution of the nonlinearity. On the other hand, the coefficient of reflection is proportional to a weighted average of the nonlinearity across the layer thickness. The weight function in this weighted average is related to the propagating phase, thus making the coefficient of reflection dependent on the spatial distribution of the nonlinearity. Finally, the paper concludes with some discussions on how to use the reflected and transmitted second harmonic waves to evaluate the variance and autocorrelation length of nonlinear parameter {beta} when the nonlinearity distribution in the layer is a stochastic process.

  9. Confidence set inference with a prior quadratic bound

    NASA Technical Reports Server (NTRS)

    Backus, George E.

    1989-01-01

    In the uniqueness part of a geophysical inverse problem, the observer wants to predict all likely values of P unknown numerical properties z=(z sub 1,...,z sub p) of the earth from measurement of D other numerical properties y (sup 0) = (y (sub 1) (sup 0), ..., y (sub D (sup 0)), using full or partial knowledge of the statistical distribution of the random errors in y (sup 0). The data space Y containing y(sup 0) is D-dimensional, so when the model space X is infinite-dimensional the linear uniqueness problem usually is insoluble without prior information about the correct earth model x. If that information is a quadratic bound on x, Bayesian inference (BI) and stochastic inversion (SI) inject spurious structure into x, implied by neither the data nor the quadratic bound. Confidence set inference (CSI) provides an alternative inversion technique free of this objection. Confidence set inference is illustrated in the problem of estimating the geomagnetic field B at the core-mantle boundary (CMB) from components of B measured on or above the earth's surface.

  10. Quadratic Reciprocity and the Group Orders of Particle States

    SciTech Connect

    DAI,YANG; BORISOV,ALEXEY B.; LONGWORTH,JAMES W.; BOYER,KEITH; RHODES,CHARLES K.

    2001-06-01

    The construction of inverse states in a finite field F{sub P{sub P{alpha}}} enables the organization of the mass scale by associating particle states with residue class designations. With the assumption of perfect flatness ({Omega}total = 1.0), this approach leads to the derivation of a cosmic seesaw congruence which unifies the concepts of space and mass. The law of quadratic reciprocity profoundly constrains the subgroup structure of the multiplicative group of units F{sub P{sub {alpha}}}* defined by the field. Four specific outcomes of this organization are (1) a reduction in the computational complexity of the mass state distribution by a factor of {approximately}10{sup 30}, (2) the extension of the genetic divisor concept to the classification of subgroup orders, (3) the derivation of a simple numerical test for any prospective mass number based on the order of the integer, and (4) the identification of direct biological analogies to taxonomy and regulatory networks characteristic of cellular metabolism, tumor suppression, immunology, and evolution. It is generally concluded that the organizing principle legislated by the alliance of quadratic reciprocity with the cosmic seesaw creates a universal optimized structure that functions in the regulation of a broad range of complex phenomena.

  11. Linear-Quadratic-Gaussian Regulator Developed for a Magnetic Bearing

    NASA Technical Reports Server (NTRS)

    Choi, Benjamin B.

    2002-01-01

    Linear-Quadratic-Gaussian (LQG) control is a modern state-space technique for designing optimal dynamic regulators. It enables us to trade off regulation performance and control effort, and to take into account process and measurement noise. The Structural Mechanics and Dynamics Branch at the NASA Glenn Research Center has developed an LQG control for a fault-tolerant magnetic bearing suspension rig to optimize system performance and to reduce the sensor and processing noise. The LQG regulator consists of an optimal state-feedback gain and a Kalman state estimator. The first design step is to seek a state-feedback law that minimizes the cost function of regulation performance, which is measured by a quadratic performance criterion with user-specified weighting matrices, and to define the tradeoff between regulation performance and control effort. The next design step is to derive a state estimator using a Kalman filter because the optimal state feedback cannot be implemented without full state measurement. Since the Kalman filter is an optimal estimator when dealing with Gaussian white noise, it minimizes the asymptotic covariance of the estimation error.

  12. Linear quadratic stochastic control of atomic hydrogen masers.

    PubMed

    Koppang, P; Leland, R

    1999-01-01

    Data are given showing the results of using the linear quadratic Gaussian (LQG) technique to steer remote hydrogen masers to Coordinated Universal Time (UTC) as given by the United States Naval Observatory (USNO) via two-way satellite time transfer and the Global Positioning System (GPS). Data also are shown from the results of steering a hydrogen maser to the real-time USNO mean. A general overview of the theory behind the LQG technique also is given. The LQG control is a technique that uses Kalman filtering to estimate time and frequency errors used as input into a control calculation. A discrete frequency steer is calculated by minimizing a quadratic cost function that is dependent on both the time and frequency errors and the control effort. Different penalties, chosen by the designer, are assessed by the controller as the time and frequency errors and control effort vary from zero. With this feature, controllers can be designed to force the time and frequency differences between two standards to zero, either more or less aggressively depending on the application.

  13. An Instability Index Theory for Quadratic Pencils and Applications

    NASA Astrophysics Data System (ADS)

    Bronski, Jared; Johnson, Mathew A.; Kapitula, Todd

    2014-04-01

    Primarily motivated by the stability analysis of nonlinear waves in second-order in time Hamiltonian systems, in this paper we develop an instability index theory for quadratic operator pencils acting on a Hilbert space. In an extension of the known theory for linear pencils, explicit connections are made between the number of eigenvalues of a given quadratic operator pencil with positive real parts to spectral information about the individual operators comprising the coefficients of the spectral parameter in the pencil. As an application, we apply the general theory developed here to yield spectral and nonlinear stability/instability results for abstract second-order in time wave equations. More specifically, we consider the problem of the existence and stability of spatially periodic waves for the "good" Boussinesq equation. In the analysis our instability index theory provides an explicit, and somewhat surprising, connection between the stability of a given periodic traveling wave solution of the "good" Boussinesq equation and the stability of the same periodic profile, but with different wavespeed, in the nonlinear dynamics of a related generalized Korteweg-de Vries equation.

  14. Implementation of Multivariate Quadratic Quasigroup for Wireless Sensor Network

    NASA Astrophysics Data System (ADS)

    Maia, Ricardo José Menezes; Barreto, Paulo Sérgio Licciardi Messeder; de Oliveira, Bruno Trevizan

    Wireless sensor networks (WSN) consists of sensor nodes with limited energy, processing, communication and memory. Security in WSN is becoming critical with the emergence of applications that require mechanisms for authenticity, integrity and confidentiality. Due to resource constraints in WSN, matching public key cryptosystems (PKC) for these networks is an open research problem. Recently a new PKC based on quasigroups multivariate quadratic. Experiments performed show that MQQ performed in less time than existing major PKC, so that some articles claim that has MQQ speed of a typical symmetric block cipher. Considering features promising to take a new path in the difficult task of providing wireless sensor networks in public key cryptosystems. This paper implements in nesC a new class of public key algorithm called Multivariate Quadratic Quasigroup. This implementation focuses on modules for encryption and decryption of 160-bit MQQ, the modules have been implemented on platforms TelosB and MICAz. We measured execution time and space occupied in the ROM and RAM of the sensors.

  15. Half-quadratic-based iterative minimization for robust sparse representation.

    PubMed

    He, Ran; Zheng, Wei-Shi; Tan, Tieniu; Sun, Zhenan

    2014-02-01

    Robust sparse representation has shown significant potential in solving challenging problems in computer vision such as biometrics and visual surveillance. Although several robust sparse models have been proposed and promising results have been obtained, they are either for error correction or for error detection, and learning a general framework that systematically unifies these two aspects and explores their relation is still an open problem. In this paper, we develop a half-quadratic (HQ) framework to solve the robust sparse representation problem. By defining different kinds of half-quadratic functions, the proposed HQ framework is applicable to performing both error correction and error detection. More specifically, by using the additive form of HQ, we propose an ℓ1-regularized error correction method by iteratively recovering corrupted data from errors incurred by noises and outliers; by using the multiplicative form of HQ, we propose an ℓ1-regularized error detection method by learning from uncorrupted data iteratively. We also show that the ℓ1-regularization solved by soft-thresholding function has a dual relationship to Huber M-estimator, which theoretically guarantees the performance of robust sparse representation in terms of M-estimation. Experiments on robust face recognition under severe occlusion and corruption validate our framework and findings.

  16. Electronic Transitions as a Probe of Tetrahedral versus Octahedral Coordination in Nickel(II) Complexes: An Undergraduate Inorganic Chemistry Experiment.

    ERIC Educational Resources Information Center

    Filgueiras, Carlos A. L.; Carazza, Fernando

    1980-01-01

    Discusses procedures, theoretical considerations, and results of an experiment involving the preparation of a tetrahedral nickel(II) complex and its transformation into an octahedral species. Suggests that fundamental aspects of coordination chemistry can be demonstrated by simple experiments performed in introductory level courses. (Author/JN)

  17. The role of fcc tetrahedral subunits in the phase behavior of medium sized Lennard-Jones clusters.

    PubMed

    Saika-Voivod, Ivan; Poon, Louis; Bowles, Richard K

    2010-08-21

    The free energy of a 600-atom Lennard-Jones cluster is calculated as a function of surface and bulk crystallinity in order to study the structural transformations that occur in the core of medium sized clusters. Within the order parameter range studied, we find the existence of two free energy minima at temperatures near freezing. One minimum, at low values of both bulk and surface order, belongs to the liquid phase. The second minimum exhibits a highly ordered core with a disordered surface and is related to structures containing a single fcc-tetrahedral subunit, with an edge length of seven atoms (l=7), located in the particle core. At lower temperatures, a third minimum appears at intermediate values of the bulk order parameter which is shown to be related to the formation of multiple l=6 tetrahedra in the core of the cluster. We also use molecular dynamics simulations to follow a series of nucleation events and find that the clusters freeze to structures containing l=5, 6, 7, and 8 sized tetrahedra as well as those containing no tetrahedral units. The structural correlations between bulk and surface order with the size of the tetrahedral units in the cluster core are examined. Finally, the relationships between the formation of fcc tetrahedral subunits in the core, the phase behavior of medium sized clusters and the nucleation of noncrystalline global structures such as icosahedra and decahedra are discussed.

  18. Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.

    PubMed

    Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo

    2016-04-01

    An effective single crystal to single crystal transformation from a tetrahedral Ni cage to an FeNi cage was demonstrated. The iron(ii) centers of the FeNi cage can be induced to display spin crossover behaviors with an increasing amount of Fe(II) ions. The SCSC metal-center exchange provides a powerful approach to modify solid magnetic properties.

  19. Nonhydrostatic correction for shallow water equations with quadratic vertical pressure distribution: A Boussinesq-type equation

    NASA Astrophysics Data System (ADS)

    Jeschke, Anja; Behrens, Jörn

    2015-04-01

    In tsunami modeling, two different systems of dispersive long wave equations are common: The nonhydrostatic pressure correction for the shallow water equations derived out of the depth-integrated 3D Reynolds-averaged Navier-Stokes equations, and the category of Boussinesq-type equations obtained by an expansion in the nondimensional parameters for nonlinearity and dispersion in the Euler equations. The first system uses as an assumption a linear vertical interpolation of the nonhydrostatic pressure, whereas the second system's derivation includes an quadratic vertical interpolation for the nonhydrostatic pressure. In this case the analytical dispersion relations do not coincide. We show that the nonhydrostatic correction with a quadratic vertical interpolation yields an equation set equivalent to the Serre equations, which are 1D Boussinesq-type equations for the case of a horizontal bottom. Now, both systems yield the same analytical dispersion relation according up to the first order with the reference dispersion relation of the linear wave theory. The adjusted model is also compared to other Boussinesq-type equations. The numerical model with the nonhydrostatic correction for the shallow water equations uses Leapfrog timestepping stabilized with the Asselin filter and the P1-PNC1 finite element space discretization. The numerical dispersion relations are computed and compared by employing a testcase of a standing wave in a closed basin. All numerical values match their theoretical expectations. This work is funded by project ASTARTE - Assessment, Strategy And Risk Reduction for Tsunamis in Europe - FP7-ENV2013 6.4-3, Grant 603839. We acknowledge the support given by Geir K. Petersen from the University of Oslo.

  20. EVA assembly of large space structure element

    NASA Technical Reports Server (NTRS)

    Bement, L. J.; Bush, H. G.; Heard, W. L., Jr.; Stokes, J. W., Jr.

    1981-01-01

    The results of a test program to assess the potential of manned extravehicular activity (EVA) assembly of erectable space trusses are described. Seventeen tests were conducted in which six "space-weight" columns were assembled into a regular tetrahedral cell by a team of two "space"-suited test subjects. This cell represents the fundamental "element" of a tetrahedral truss structure. The tests were conducted under simulated zero-gravity conditions. Both manual and simulated remote manipulator system modes were evaluated. Articulation limits of the pressure suit and zero gravity could be accommodated by work stations with foot restraints. The results of this study have confirmed that astronaut EVA assembly of large, erectable space structures is well within man's capabilities.

  1. Repopulation Kinetics and the Linear-Quadratic Model

    NASA Astrophysics Data System (ADS)

    O'Rourke, S. F. C.; McAneney, H.; Starrett, C.; O'Sullivan, J. M.

    2009-08-01

    The standard Linear-Quadratic (LQ) survival model for radiotherapy is used to investigate different schedules of radiation treatment planning for advanced head and neck cancer. We explore how these treament protocols may be affected by different tumour repopulation kinetics between treatments. The laws for tumour cell repopulation include the logistic and Gompertz models and this extends the work of Wheldon et al. [1], which was concerned with the case of exponential repopulation between treatments. Treatment schedules investigated include standarized and accelerated fractionation. Calculations based on the present work show, that even with growth laws scaled to ensure that the repopulation kinetics for advanced head and neck cancer are comparable, considerable variation in the survival fraction to orders of magnitude emerged. Calculations show that application of the Gompertz model results in a significantly poorer prognosis for tumour eradication. Gaps in treatment also highlight the differences in the LQ model with the effect of repopulation kinetics included.

  2. Renormalisation of correlations in a barrier billiard: Quadratic irrational trajectories

    NASA Astrophysics Data System (ADS)

    Adamson, L. N. C.; Osbaldestin, A. H.

    2014-03-01

    We present an analysis of autocorrelation functions in symmetric barrier billiards using a renormalisation approach for quadratic irrational trajectories. Depending on the nature of the barrier, this leads to either self-similar or chaotic behaviour. In the self-similar case we give an analysis of the half barrier and present a detailed calculation of the locations, asymptotic heights and signs of the main peaks in the autocorrelation function. Then we consider arbitrary barriers, illustrating that typically these give rise to chaotic correlations of the autocorrelation function which we further represent by showing the invariant sets associated with these correlations. Our main ingredient here is a functional recurrence which has been previously derived and used in work on the Harper equation, strange non-chaotic attractors and a quasi-periodically forced two-level system.

  3. Exact Solution of Quadratic Fermionic Hamiltonians for Arbitrary Boundary Conditions.

    PubMed

    Alase, Abhijeet; Cobanera, Emilio; Ortiz, Gerardo; Viola, Lorenza

    2016-08-12

    We present a procedure for exactly diagonalizing finite-range quadratic fermionic Hamiltonians with arbitrary boundary conditions in one of D dimensions, and periodic in the remaining D-1. The key is a Hamiltonian-dependent separation of the bulk from the boundary. By combining information from the two, we identify a matrix function that fully characterizes the solutions, and may be used to construct an efficiently computable indicator of bulk-boundary correspondence. As an illustration, we show how our approach correctly describes the zero-energy Majorana modes of a time-reversal-invariant s-wave two-band superconductor in a Josephson ring configuration, and predicts that a fractional 4π-periodic Josephson effect can only be observed in phases hosting an odd number of Majorana pairs per boundary. PMID:27563986

  4. Exact Solution of Quadratic Fermionic Hamiltonians for Arbitrary Boundary Conditions

    NASA Astrophysics Data System (ADS)

    Alase, Abhijeet; Cobanera, Emilio; Ortiz, Gerardo; Viola, Lorenza

    2016-08-01

    We present a procedure for exactly diagonalizing finite-range quadratic fermionic Hamiltonians with arbitrary boundary conditions in one of D dimensions, and periodic in the remaining D -1 . The key is a Hamiltonian-dependent separation of the bulk from the boundary. By combining information from the two, we identify a matrix function that fully characterizes the solutions, and may be used to construct an efficiently computable indicator of bulk-boundary correspondence. As an illustration, we show how our approach correctly describes the zero-energy Majorana modes of a time-reversal-invariant s -wave two-band superconductor in a Josephson ring configuration, and predicts that a fractional 4 π -periodic Josephson effect can only be observed in phases hosting an odd number of Majorana pairs per boundary.

  5. Recognition of Graphs with Convex Quadratic Stability Number

    NASA Astrophysics Data System (ADS)

    Pacheco, Maria F.; Cardoso, Domingos M.

    2009-09-01

    A stable set of a graph is a set of mutually non-adjacent vertices. The determination of a maximum size stable set, which is called maximum stable set, and the determination of its size, which is called stability number, are central combinatorial optimization problems. However, given a nonnegative integer k, to determine if a graph G has a stable set of size k is NP-complete. In this paper we deal with graphs for which the stability number can be determined by solving a convex quadratic programming problem. Such graphs were introduced in [13] and are called graphs with convex-QP stability number. A few algorithmic techniques for the recognition of this type of graphs in particular families are presented.

  6. Wind turbine power tracking using an improved multimodel quadratic approach.

    PubMed

    Khezami, Nadhira; Benhadj Braiek, Naceur; Guillaud, Xavier

    2010-07-01

    In this paper, an improved multimodel optimal quadratic control structure for variable speed, pitch regulated wind turbines (operating at high wind speeds) is proposed in order to integrate high levels of wind power to actively provide a primary reserve for frequency control. On the basis of the nonlinear model of the studied plant, and taking into account the wind speed fluctuations, and the electrical power variation, a multimodel linear description is derived for the wind turbine, and is used for the synthesis of an optimal control law involving a state feedback, an integral action and an output reference model. This new control structure allows a rapid transition of the wind turbine generated power between different desired set values. This electrical power tracking is ensured with a high-performance behavior for all other state variables: turbine and generator rotational speeds and mechanical shaft torque; and smooth and adequate evolution of the control variables.

  7. Cosmology for quadratic gravity in generalized Weyl geometry

    NASA Astrophysics Data System (ADS)

    Beltrán Jiménez, Jose; Heisenberg, Lavinia; Koivisto, Tomi S.

    2016-04-01

    A class of vector-tensor theories arises naturally in the framework of quadratic gravity in spacetimes with linear vector distortion. Requiring the absence of ghosts for the vector field imposes an interesting condition on the allowed connections with vector distortion: the resulting one-parameter family of connections generalises the usual Weyl geometry with polar torsion. The cosmology of this class of theories is studied, focusing on isotropic solutions wherein the vector field is dominated by the temporal component. De Sitter attractors are found and inhomogeneous perturbations around such backgrounds are analysed. In particular, further constraints on the models are imposed by excluding pathologies in the scalar, vector and tensor fluctuations. Various exact background solutions are presented, describing a constant and an evolving dark energy, a bounce and a self-tuning de Sitter phase. However, the latter two scenarios are not viable under a closer scrutiny.

  8. Confidence set inference with a prior quadratic bound

    NASA Technical Reports Server (NTRS)

    Backus, George E.

    1988-01-01

    In the uniqueness part of a geophysical inverse problem, the observer wants to predict all likely values of P unknown numerical properties z = (z sub 1,...,z sub p) of the earth from measurement of D other numerical properties y(0)=(y sub 1(0),...,y sub D(0)) knowledge of the statistical distribution of the random errors in y(0). The data space Y containing y(0) is D-dimensional, so when the model space X is infinite-dimensional the linear uniqueness problem usually is insoluble without prior information about the correct earth model x. If that information is a quadratic bound on x (e.g., energy or dissipation rate), Bayesian inference (BI) and stochastic inversion (SI) inject spurious structure into x, implied by neither the data nor the quadratic bound. Confidence set inference (CSI) provides an alternative inversion technique free of this objection. CSI is illustrated in the problem of estimating the geomagnetic field B at the core-mantle boundary (CMB) from components of B measured on or above the earth's surface. Neither the heat flow nor the energy bound is strong enough to permit estimation of B(r) at single points on the CMB, but the heat flow bound permits estimation of uniform averages of B(r) over discs on the CMB, and both bounds permit weighted disc-averages with continous weighting kernels. Both bounds also permit estimation of low-degree Gauss coefficients at the CMB. The heat flow bound resolves them up to degree 8 if the crustal field at satellite altitudes must be treated as a systematic error, but can resolve to degree 11 under the most favorable statistical treatment of the crust. These two limits produce circles of confusion on the CMB with diameters of 25 deg and 19 deg respectively.

  9. Spectroscopy of one-dimensionally inhomogeneous media with quadratic nonlinearity

    SciTech Connect

    Golubkov, A A; Makarov, Vladimir A

    2011-11-30

    We present a brief review of the results of fifty years of development efforts in spectroscopy of one-dimensionally inhomogeneous media with quadratic nonlinearity. The recent original results obtained by the authors show the fundamental possibility of determining, from experimental data, the coordinate dependences of complex quadratic susceptibility tensor components of a onedimensionally inhomogeneous (along the z axis) medium with an arbitrary frequency dispersion, if the linear dielectric properties of the medium also vary along the z axis and are described by a diagonal tensor of the linear dielectric constant. It is assumed that the medium in question has the form of a plane-parallel plate, whose surfaces are perpendicular to the direction of the inhomogeneity. Using the example of several components of the tensors X{sup (2)}(z, {omega}{sub 1} {+-} {omega}{sub 2}; {omega}{sub 1}, {+-} {omega}{sub 2}), we describe two methods for finding their spatial profiles, which differ in the interaction geometry of plane monochromatic fundamental waves with frequencies {omega}{sub 1} and {omega}{sub 2}. The both methods are based on assessing the intensity of the waves propagating from the plate at the sum or difference frequency and require measurements over a range of angles of incidence of the fundamental waves. Such measurements include two series of additional estimates of the intensities of the waves generated under special conditions by using the test and additional reference plates, which eliminates the need for complicated phase measurements of the complex amplitudes of the waves at the sum (difference) frequency.

  10. Sensitivity Analysis of Parameters in Linear-Quadratic Radiobiologic Modeling

    SciTech Connect

    Fowler, Jack F.

    2009-04-01

    Purpose: Radiobiologic modeling is increasingly used to estimate the effects of altered treatment plans, especially for dose escalation. The present article shows how much the linear-quadratic (LQ) (calculated biologically equivalent dose [BED] varies when individual parameters of the LQ formula are varied by {+-}20% and by 1%. Methods: Equivalent total doses (EQD2 = normalized total doses (NTD) in 2-Gy fractions for tumor control, acute mucosal reactions, and late complications were calculated using the linear- quadratic formula with overall time: BED = nd (1 + d/ [{alpha}/{beta}]) - log{sub e}2 (T - Tk) / {alpha}Tp, where BED is BED = total dose x relative effectiveness (RE = nd (1 + d/ [{alpha}/{beta}]). Each of the five biologic parameters in turn was altered by {+-}10%, and the altered EQD2s tabulated; the difference was finally divided by 20. EQD2 or NTD is obtained by dividing BED by the RE for 2-Gy fractions, using the appropriate {alpha}/{beta} ratio. Results: Variations in tumor and acute mucosal EQD ranged from 0.1% to 0.45% per 1% change in each parameter for conventional schedules, the largest variation being caused by overall time. Variations in 'late' EQD were 0.4% to 0.6% per 1% change in the only biologic parameter, the {alpha}/{beta} ratio. For stereotactic body radiotherapy schedules, variations were larger, up to 0.6 to 0.9 for tumor and 1.6% to 1.9% for late, per 1% change in parameter. Conclusions: Robustness occurs similar to that of equivalent uniform dose (EUD), for the same reasons. Total dose, dose per fraction, and dose-rate cause their major effects, as well known.

  11. Adaptive mesh generation for edge-element finite element method

    NASA Astrophysics Data System (ADS)

    Tsuboi, Hajime; Gyimothy, Szabolcs

    2001-06-01

    An adaptive mesh generation method for two- and three-dimensional finite element methods using edge elements is proposed. Since the tangential component continuity is preserved when using edge elements, the strategy of creating new nodes is based on evaluation of the normal component of the magnetic vector potential across element interfaces. The evaluation is performed at the middle point of edge of a triangular element for two-dimensional problems or at the gravity center of triangular surface of a tetrahedral element for three-dimensional problems. At the boundary of two elements, the error estimator is the ratio of the normal component discontinuity to the maximum value of the potential in the same material. One or more nodes are set at the middle points of the edges according to the value of the estimator as well as the subdivision of elements where new nodes have been created. A final mesh will be obtained after several iterations. Some computation results of two- and three-dimensional problems using the proposed method are shown.

  12. Slow magnetic relaxation at zero field in the tetrahedral complex [Co(SPh)4]2-.

    PubMed

    Zadrozny, Joseph M; Long, Jeffrey R

    2011-12-28

    The Ph(4)P(+) salt of the tetrahedral complex [Co(SPh)(4)](2-), possessing an S = (3)/(2) ground state with an axial zero-field splitting of D = -70 cm(-1), displays single-molecule magnet behavior in the absence of an applied magnetic field. At very low temperatures, ac magnetic susceptibility data show the magnetic relaxation time, τ, to be temperature-independent, while above 2.5 K thermally activated Arrhenius behavior is apparent with U(eff) = 21(1) cm(-1) and τ(0) = 1.0(3) × 10(-7) s. Under an applied field of 1 kOe, τ more closely approximates Arrhenius behavior over the entire temperature range. Upon dilution of the complex within a matrix of the isomorphous compound (Ph(4)P)(2)[Zn(SPh)(4)], ac susceptibility data reveal the molecular nature of the slow magnetic relaxation and indicate that the quantum tunneling pathway observed at low temperatures is likely mediated by intermolecular dipolar interactions.

  13. Importance of tetrahedral intermediate formation in the catalytic mechanism of the serine proteases chymotrypsin and subtilisin.

    PubMed

    Petrillo, Teodolinda; O'Donohoe, Catrina A; Howe, Nicole; Malthouse, J Paul G

    2012-08-01

    Two new inhibitors in which the terminal α-carboxyl groups of Z-Ala-Ala-Phe-COOH and Z-Ala-Pro-Phe-COOH have been replaced with a proton to give Z-Ala-Ala-Phe-H and Z-Ala-Pro-Phe-H, respectively, have been synthesized. Using these inhibitors, we estimate that for α-chymotrypsin and subtilisin Carlsberg the terminal carboxylate group decreases the level of inhibitor binding 3-4-fold while a glyoxal group increases the level of binding by 500-2000-fold. We show that at pH 7.2 the effective molarities of the catalytic hydroxyl group of the active site serine are 41000-229000 and 101000-159000 for α-chymotrypsin and subtilisin Carlsberg, respectively. It is estimated that oxyanion stabilization and the increased effective molarity of the catalytic serine hydroxyl group can account for the catalytic efficiency of the reaction. We argue that substrate binding induces the formation of a strong hydrogen bond or low-barrier hydrogen bond between histidine-57 and aspartate-102 that increases the pK(a) of the active site histidine, allowing it to be an effective general base catalyst for the formation of the tetrahedral intermediate and increasing the effective molarity of the catalytic hydroxyl group of serine-195. A catalytic mechanism for acyl intermediate formation in the serine proteases is proposed.

  14. Optimized vector sound intensity measurements with a tetrahedral arrangement of microphones in a spherical shell.

    PubMed

    Sondergaard, Thomas; Wille, Morten

    2015-11-01

    Recent times have seen the introduction of small spherical arrays whose usefulness as sound intensity probes is the focus of this paper. The presented probe consists of a spherical shell, 30 mm in diameter, housing four 14 in. microphones arranged in a regular tetrahedral configuration. Classical formulae may be used to estimate the sound intensity vector, as may methods based on spherical harmonics decomposition. Results are shown to be comparable to those obtained from classical sound intensity probes. The existence of an analytical model for a plane wave's diffraction about a sphere provides a means for adopting common optimization techniques for potentially improving the intensity vector estimate, however. This paper examines the validity of non-linear least squares optimization in conjunction with the proposed spherical sound intensity probe when placed in the following sound fields: (1) a simple plane wave; (2) a plane wave corrupted by noise; and (3) multiple incident plane waves. Under certain conditions, the probe is shown to greatly extend the operational frequency range of classical sound intensity probes. The optimization algorithm is found to lack robustness against deviations from plane wave conditions, however.

  15. Zintl-phase compounds with SnSb4 tetrahedral anions: electronic structure and thermoelectric properties

    SciTech Connect

    Zhang, Lijun; Du, Mao-Hua; Singh, David J

    2010-01-01

    We report the investigation of Zintl-phase Na(K){sub 8}SnSb{sub 4} and related compounds that contain SnSb{sub 4} tetrahedral anions using first principles electronic structure, Boltzmann transport, and density functional phonon calculations. We find that these compounds are narrow-gap semiconductors and there is a combination of heavy and light bands at valence band edge, which may lead to a combination of high thermopower and reasonable conductivity. High values of the thermopower are found for p-type doping within the Boltzmann transport theory. Furthermore, these materials are expected to have low thermal conductivity due to their structures that consist of a network of weakly coupled SnSb{sub 4} clusters, which leads to low phonon frequencies. In particular, we find low-frequency optical phonons that should effectively scatter the heat-carrying acoustic phonons. These results are discussed in terms of the structure, which consists of anionic clusters. Based on the results, it is suggested that such compounds may represent a useful paradigm for finding new thermoelectric materials.

  16. Non-Axial Octupole Deformations and Tetrahedral Symmetry in Heavy Nuclei

    SciTech Connect

    Mazurek, Katarzyna; Dudek, Jerzy

    2005-11-21

    The total energies of about 120 nuclei in the Thorium region have been calculated within the macroscopic-microscopic method in the 5-dimensional space of deformation parameters {alpha}20, {alpha}22, {alpha}30, {alpha}32 and {alpha}40. The macroscopic energy term contains the nuclear surface-curvature dependence as proposed within the LSD approach. The microscopic energies are calculated with the Woods-Saxon single particle potential employing the universal set of parameters.We study a possible presence of the octupole axial and non-axial degrees of freedom all-over in the ({beta}, {gamma})-plane focussing on the ground-states, secondary minima and in the saddle points. In fact, a competition between axial and tri-axial octupole deformation parameters is obtained at the saddle points and in the secondary minima for many isotones with N > 136. The presence of the tetrahedral symmetry minima is predicted in numerous nuclei in the discussed region, although most of the time at relatively high excitation energies.

  17. Isosurface Computation Made Simple: Hardware acceleration,Adaptive Refinement and tetrahedral Stripping

    SciTech Connect

    Pascucci, V

    2004-02-18

    This paper presents a simple approach for rendering isosurfaces of a scalar field. Using the vertex programming capability of commodity graphics cards, we transfer the cost of computing an isosurface from the Central Processing Unit (CPU), running the main application, to the Graphics Processing Unit (GPU), rendering the images. We consider a tetrahedral decomposition of the domain and draw one quadrangle (quad) primitive per tetrahedron. A vertex program transforms the quad into the piece of isosurface within the tetrahedron (see Figure 2). In this way, the main application is only devoted to streaming the vertices of the tetrahedra from main memory to the graphics card. For adaptively refined rectilinear grids, the optimization of this streaming process leads to the definition of a new 3D space-filling curve, which generalizes the 2D Sierpinski curve used for efficient rendering of triangulated terrains. We maintain the simplicity of the scheme when constructing view-dependent adaptive refinements of the domain mesh. In particular, we guarantee the absence of T-junctions by satisfying local bounds in our nested error basis. The expensive stage of fixing cracks in the mesh is completely avoided. We discuss practical tradeoffs in the distribution of the workload between the application and the graphics hardware. With current GPU's it is convenient to perform certain computations on the main CPU. Beyond the performance considerations that will change with the new generations of GPU's this approach has the major advantage of avoiding completely the storage in memory of the isosurface vertices and triangles.

  18. Output-Adaptive Tetrahedral Cut-Cell Validation for Sonic Boom Prediction

    NASA Technical Reports Server (NTRS)

    Park, Michael A.; Darmofal, David L.

    2008-01-01

    A cut-cell approach to Computational Fluid Dynamics (CFD) that utilizes the median dual of a tetrahedral background grid is described. The discrete adjoint is also calculated, which permits adaptation based on improving the calculation of a specified output (off-body pressure signature) in supersonic inviscid flow. These predicted signatures are compared to wind tunnel measurements on and off the configuration centerline 10 body lengths below the model to validate the method for sonic boom prediction. Accurate mid-field sonic boom pressure signatures are calculated with the Euler equations without the use of hybrid grid or signature propagation methods. Highly-refined, shock-aligned anisotropic grids were produced by this method from coarse isotropic grids created without prior knowledge of shock locations. A heuristic reconstruction limiter provided stable flow and adjoint solution schemes while producing similar signatures to Barth-Jespersen and Venkatakrishnan limiters. The use of cut-cells with an output-based adaptive scheme completely automated this accurate prediction capability after a triangular mesh is generated for the cut surface. This automation drastically reduces the manual intervention required by existing methods.

  19. Solid-State NMR Imaging by Tetrahedral-Magic-Echo Time-Suspension Sequences

    NASA Astrophysics Data System (ADS)

    Matsui, S.; Uraoka, A.; Inouye, T.

    A new approach to solid-state imaging using tetrahedral magic echoes (TME) is proposed and compared with the previously reported modified-magic-echo (MME) approaches. The comparison has shown that for common organic solids, where the homonuclear 1H- 1H dipolar interaction is dominant, the degree of TME line narrowing is nearly the same as that of time-suspended MME line narrowing; however, the TME narrowing is substantially superior to the MME narrowing for solids where the heteronuclear dipolar interaction between 1H and a second spin species is comparable in magnitude to the homonuclear 1H- 1H dipolar interaction. This superiority stems from the fact that the homonuclear and hereronuclear interactions do not commute with each other. The TME approach further possesses certain practical advantages over the MME approaches. For example, the optional application of gradient pulses during the RF irradiation periods in the TME sequences increases the scaling factor of the gradient amplitude from {1}/{4} to {1}/{2}, making the gradient switching easier. No apparent deterioration of the TME line-narrowing by the optional gradient application was noted.

  20. Insights into Substrate Specificity and Metal Activation of Mammalian Tetrahedral Aspartyl Aminopeptidase

    SciTech Connect

    Chen, Yuanyuan; Farquhar, Erik R.; Chance, Mark R.; Palczewski, Krzysztof; Kiser, Philip D.

    2012-07-11

    Aminopeptidases are key enzymes involved in the regulation of signaling peptide activity. Here, we present a detailed biochemical and structural analysis of an evolutionary highly conserved aspartyl aminopeptidase called DNPEP. We show that this peptidase can cleave multiple physiologically relevant substrates, including angiotensins, and thus may play a key role in regulating neuron function. Using a combination of x-ray crystallography, x-ray absorption spectroscopy, and single particle electron microscopy analysis, we provide the first detailed structural analysis of DNPEP. We show that this enzyme possesses a binuclear zinc-active site in which one of the zinc ions is readily exchangeable with other divalent cations such as manganese, which strongly stimulates the enzymatic activity of the protein. The plasticity of this metal-binding site suggests a mechanism for regulation of DNPEP activity. We also demonstrate that DNPEP assembles into a functionally relevant tetrahedral complex that restricts access of peptide substrates to the active site. These structural data allow rationalization of the enzyme's preference for short peptide substrates with N-terminal acidic residues. This study provides a structural basis for understanding the physiology and bioinorganic chemistry of DNPEP and other M18 family aminopeptidases.

  1. Intense turquoise colors of apatite-type compounds with Mn5+ in tetrahedral coordination

    NASA Astrophysics Data System (ADS)

    Medina, Elena A.; Li, Jun; Stalick, Judith K.; Subramanian, M. A.

    2016-02-01

    The solid solutions of chlorapatite compounds Ba5Mn3-xVxO12Cl (x = 0-3.0) and Ba5Mn3-xPxO12Cl (x = 0-3.0) have been synthesized through solid state reactions and Pechini or sol-gel method using citric acid. The colors of the samples change from white (x = 3.0) through turquoise (x = 1.5) to dark green (x = 0) with increasing amount of manganese. Optical measurements reveal that the origin of the color is presumably a combination of d-d transitions of Mn5+ and cation-anion charge transfer from transition metals to oxygens. Near IR reflectance measurements indicate that synthesized compounds are promising materials for "cool pigments" applications. Magnetic measurements verify that manganese has two unpaired electrons and exhibits 5 + oxidation state. The IR spectra change systematically with sample compositions and the fingerprint region (700 cm-1 to 1100 cm-1) indicates characteristic bands belonging to (MnO4)3-, (VO4)3- and (PO4)3- functional groups. Structure refinements using neutron data confirm that Mn5+, V5+ and P5+ cations occupy the tetrahedral sites in the apatite structure.

  2. Solutions of the Schrödinger equation with inversely quadratic Hellmann plus inversely quadratic potential using Nikiforov-Uvarov method

    SciTech Connect

    Ita, B. I.

    2014-11-12

    By using the Nikiforov-Uvarov (NU) method, the Schrödinger equation has been solved for the interaction of inversely quadratic Hellmann (IQHP) and inversely quadratic potential (IQP) for any angular momentum quantum number, l. The energy eigenvalues and their corresponding eigenfunctions have been obtained in terms of Laguerre polynomials. Special cases of the sum of these potentials have been considered and their energy eigenvalues also obtained.

  3. Hidden Lessons: How a Focus on Slope-Like Properties of Quadratic Functions Encouraged Unexpected Generalizations

    ERIC Educational Resources Information Center

    Ellis, Amy B.; Grinstead, Paul

    2008-01-01

    This article presents secondary students' generalizations about the connections between algebraic and graphical representations of quadratic functions, focusing specifically on the roles of the parameters a, b, and c in the general form of a quadratic function, y = ax[superscript 2] + bx + c. Students' generalizations about these connections led…

  4. Computing the Partial Fraction Decomposition of Rational Functions with Irreducible Quadratic Factors in the Denominators

    ERIC Educational Resources Information Center

    Man, Yiu-Kwong

    2012-01-01

    In this note, a new method for computing the partial fraction decomposition of rational functions with irreducible quadratic factors in the denominators is presented. This method involves polynomial divisions and substitutions only, without having to solve for the complex roots of the irreducible quadratic polynomial or to solve a system of linear…

  5. Pseudo-continuous-time quadratic regulators with pole placement in a specific region

    NASA Technical Reports Server (NTRS)

    Shieh, L. S.; Zhang, J. L.; Ganesan, S.

    1990-01-01

    The paper comments on the pseudo-continuous-time quadratic regulator developed in an earlier paper. It also presents a new digital redesign technique, based on matching all the states at all the sampling instants, for finding the pseudo-continuous-time quadratic regulator.

  6. Geometrical Solutions of Some Quadratic Equations with Non-Real Roots

    ERIC Educational Resources Information Center

    Pathak, H. K.; Grewal, A. S.

    2002-01-01

    This note gives geometrical/graphical methods of finding solutions of the quadratic equation ax[squared] + bx + c = 0, a [not equal to] 0, with non-real roots. Three different cases which give rise to non-real roots of the quadratic equation have been discussed. In case I a geometrical construction and its proof for finding the solutions of the…

  7. Exploration of Quadratic Expressions through Multiple Representations for Students with Mathematics Difficulties

    ERIC Educational Resources Information Center

    Strickland, Tricia K.; Maccini, Paula

    2013-01-01

    The current study focuses on the effects of incorporating multiple visual representations on students' conceptual understanding of quadratic expressions embedded within area word problems and students' procedural fluency of transforming quadratic expressions in standard form to factored-form and vice versa. The intervention included the…

  8. The cyclicity of period annulus of a quadratic reversible Lotka-Volterra system

    NASA Astrophysics Data System (ADS)

    Li, Chengzhi; Llibre, Jaume

    2009-12-01

    We prove that by perturbing the periodic annulus of the quadratic polynomial reversible Lotka-Volterra differential system \\dot x=y+\\case{3}{2}(x^2-y^2) , \\dot y=-x(1-y) , inside the class of all quadratic polynomial differential systems we can obtain at most two limit cycles.

  9. Efficient calculation of the quasi-static electrical potential on a tetrahedral mesh and its implementation in STEPS

    PubMed Central

    Hepburn, Iain; Cannon, Robert; De Schutter, Erik

    2013-01-01

    We describe a novel method for calculating the quasi-static electrical potential on tetrahedral meshes, which we call E-Field. The E-Field method is implemented in STEPS, which performs stochastic spatial reaction-diffusion computations in tetrahedral-based cellular geometry reconstructions. This provides a level of integration between electrical excitability and spatial molecular dynamics in realistic cellular morphology not previously achievable. Deterministic solutions are also possible. By performing the Rallpack tests we demonstrate the accuracy of the E-Field method. Efficient node ordering is an important practical consideration, and we find that a breadth-first search provides the best solutions, although principal axis ordering suffices for some geometries. We discuss potential applications and possible future directions, and predict that the E-Field implementation in STEPS will play an important role in the future of multiscale neural simulations. PMID:24194715

  10. On the Theory of the Ballistic Linear Photovoltaic Effect in Semiconductors of Tetrahedral Symmetry Under Two-Photon Absorption

    NASA Astrophysics Data System (ADS)

    Rasulov, R. Ya.; Rasulov, V. R.; Eshboltaev, I.

    2016-07-01

    The ballistic contribution to the current of linear photovoltaic effect under two-photon absorption of light is calculated and theoretically analyzed for the semiconductors of a tetrahedral symmetry with a complex band structure consisting of two closely spaced subbands. The transitions between the branches of one band in cases of the simultaneous absorption of two photons and successive absorption of two single photons are taken into account.

  11. Synthesis and Catalytic Activity of Pt Monolayer on Pd Tetrahedral Nanocrystals with CO-adsorption-induced Removal of Surfactants

    SciTech Connect

    Gong K.; Vukmirovic M.B.; Ma C.; Zhu Y.; Adzic R.R.

    2011-11-01

    We synthesized the Pt monolayer shell-Pd tetrahedral core electrocatalysts that are notable for their high activity and stable performance. A small number of low-coordination sites and defects, and high content of the (1 1 1)-oriented facets on Pd tetrahedron makes them a suitable support for a Pt monolayer to obtain an active O{sub 2} reduction reaction (ORR) electrocatalyst. The surfactants, used to control size and shape of Pd tetrahedral nanoparticles, are difficult to remove and cause adverse effects on the ORR. We describe a simple and noninvasive method to synthesize high-purity tetrahedral Pd nanocrystals (TH Pd) by combining a hydrothermal route and CO adsorption-induced removal of surfactants. Poly(vinylpyrrolidone) (PVP), used as a protecting and reducing agent in hydrothermal reactions, is strongly bonded to the surface of the resulting nanocrystals. We demonstrate that PVP was displaced efficiently by adsorbed CO. A clean surface was achieved upon CO stripping at a high potential (1.0 V vs RHE). It played a decisive role in improving the activity of the Pt monolayer/TH Pd electrocatalyst for the ORR. Furthermore, the results demonstrate a versatile method for removal of surfactants from various nanoparticles that severely limited their applications.

  12. Tetrahedral atom ordering in a zeolite framework: a key factor affecting its physicochemical properties.

    PubMed

    Shin, Jiho; Bhange, Deu S; Camblor, Miguel A; Lee, Yongjae; Kim, Wha Jung; Nam, In-Sik; Hong, Suk Bong

    2011-07-13

    Three gallosilicate natrolites with closely similar chemical composition but differing in the distribution of Si and Ga over crystallographically different tetrahedral sites (T-sites) show striking differences in their cation exchange performance. The ability to exchange Na(+) by the larger alkali metal cations decreases upon increasing the size of the cation, as expected, but also with the degree of T-atom ordering. To seek an insight into this phenomenon, the crystal structures of 11 different zeolites, which show variations in degree of T-atom ordering, nature of countercation, and hydration state, have been refined using synchrotron diffraction data. While the three as-made sodium materials were characterized to have a low, medium, and high degree of ordering, respectively, their pore sizes are close to the size of the bare Na(+) cation and much smaller than that of the larger alkali cations, which are nonetheless exchanged into the materials, each one at a different level. Interestingly, large differences are also manifested when the Na(+) back-exchange is performed on the dehydrated K(+) forms, with crystallographic pore sizes too small even to allow the passage of Na(+). Although the thermodynamic data point to small differences in the enthalpy of the Na(+)/K(+) exchange in the three materials, comparison of the "static" crystallographic pore sizes and the diameter of the exchanged cations lead us to conclude that during the exchange process these zeolites undergo significant deformations that dynamically open the pores, allowing cation traffic even for Cs(+) in the case of the most disordered material. In addition to the very large topological flexibility typical of the natrolite framework, we propose as a hypothesis that there is an additional flexibility mechanism that decreases the rigidity of the natrolite chain itself and is dependent on preferential siting of Si or Ga on crystallographically different T-sites.

  13. Strong anisotropy in nearly ideal tetrahedral superconducting FeS single crystals

    NASA Astrophysics Data System (ADS)

    Borg, Christopher K. H.; Zhou, Xiuquan; Eckberg, Christopher; Campbell, Daniel J.; Saha, Shanta R.; Paglione, Johnpierre; Rodriguez, Efrain E.

    2016-03-01

    We report the preparation of single crystals of tetragonal iron sulfide (FeS) which exhibits a nearly ideal tetrahedral geometry with S-Fe-S bond angles of 110.2(2)° and 108.1(2)°. Grown via hydrothermal de-intercalation of K xFe 2 -yS 2 crystals under basic and reducing conditions, the silver, platelike crystals of FeS remain stable up to 200 °C under air and 250°C under inert conditions, even though the mineral "mackinawite" (FeS) is known to be metastable. FeS single crystals exhibit a superconducting state below Tc=4 K as determined by electrical resistivity, magnetic susceptibility, and heat capacity measurements, confirming the presence of a bulk superconducting state. Normal state measurements yield an electronic specific heat of 5 mJ/mol K2, and paramagnetic, metallic behavior with a low residual resistivity of 250 μ Ω cm . Magnetoresistance measurements performed as a function of magnetic field angle tilted toward both transverse and longitudinal orientations with respect to the applied current reveal remarkable two-dimensional behavior. This is paralleled in the superconducting state, which exhibits the largest known upper critical field Hc 2 anisotropy of all iron-based superconductors, with Hc2 ||a b(0 ) /Hc2 ||c(0 ) =(2.75 T ) /(0.275 T ) =10 . Comparisons to theoretical models for two-dimensional and anisotropic three-dimensional superconductors, however, suggest that FeS is the latter case with a large effective mass anisotropy. We place FeS in context to other closely related iron-based superconductors and discuss the role of structural parameters such as anion height on superconductivity.

  14. Electroanalytical performance of nitrogen-containing tetrahedral amorphous carbon thin-film electrodes.

    PubMed

    Yang, Xingyi; Haubold, Lars; DeVivo, Gabriel; Swain, Greg M

    2012-07-17

    Tetrahedral amorphous carbon (ta-C) consists of a mixture of sp(3)- and sp(2)-bonded carbon ranging from 60 to 40% (sp(3)/sp(3)+sp(2)) depending on the deposition conditions. The physical, chemical, and electrochemical properties depend on the sp(2)/sp(3) bonding ratio as well as the presence of incorporated impurities, such as hydrogen or nitrogen. The ability to grow ta-C at lower temperatures (25-100 °C) on a wider variety of substrates as compared to CVD diamond is an advantage of this material. Herein, we report on the structural and electrochemical properties of nitrogen-incorporated ta-C thin films (ta-C:N). The incorporation of nitrogen into the films decreases the electrical resistivity from 613 ± 60 (0 sccm N(2)) to 1.10 ± 0.07 Ω-cm (50 sccm N(2)), presumably by increasing the sp(2)-bonded carbon content and the connectedness of these domains. Similar to boron-doped diamond, these materials are characterized by a low background voltammetric current, a wide working potential window (~ 3 V), and relatively rapid electron-transfer kinetics for aqueous redox systems, including Fe(CN)(6)(-3/-4) and Ru(NH(3))(6)(+3/+2), without conventional pretreatment. Additionally, there is weak molecular adsorption of polar molecules (methylene blue) on the ta-C surface. Overall, the properties of the ta-C and ta-C:N electrodes are such that they could be excellent new choices for electroanalytical measurements.

  15. The use of tetrahedral mesh geometries in Monte Carlo simulation of applicator based brachytherapy dose distributions

    NASA Astrophysics Data System (ADS)

    Paiva Fonseca, Gabriel; Landry, Guillaume; White, Shane; D'Amours, Michel; Yoriyaz, Hélio; Beaulieu, Luc; Reniers, Brigitte; Verhaegen, Frank

    2014-10-01

    Accounting for brachytherapy applicator attenuation is part of the recommendations from the recent report of AAPM Task Group 186. To do so, model based dose calculation algorithms require accurate modelling of the applicator geometry. This can be non-trivial in the case of irregularly shaped applicators such as the Fletcher Williamson gynaecological applicator or balloon applicators with possibly irregular shapes employed in accelerated partial breast irradiation (APBI) performed using electronic brachytherapy sources (EBS). While many of these applicators can be modelled using constructive solid geometry (CSG), the latter may be difficult and time-consuming. Alternatively, these complex geometries can be modelled using tessellated geometries such as tetrahedral meshes (mesh geometries (MG)). Recent versions of Monte Carlo (MC) codes Geant4 and MCNP6 allow for the use of MG. The goal of this work was to model a series of applicators relevant to brachytherapy using MG. Applicators designed for 192Ir sources and 50 kV EBS were studied; a shielded vaginal applicator, a shielded Fletcher Williamson applicator and an APBI balloon applicator. All applicators were modelled in Geant4 and MCNP6 using MG and CSG for dose calculations. CSG derived dose distributions were considered as reference and used to validate MG models by comparing dose distribution ratios. In general agreement within 1% for the dose calculations was observed for all applicators between MG and CSG and between codes when considering volumes inside the 25% isodose surface. When compared to CSG, MG required longer computation times by a factor of at least 2 for MC simulations using the same code. MCNP6 calculation times were more than ten times shorter than Geant4 in some cases. In conclusion we presented methods allowing for high fidelity modelling with results equivalent to CSG. To the best of our knowledge MG offers the most accurate representation of an irregular APBI balloon applicator.

  16. Importance of Tetrahedral Iron during Microbial Reduction of Clay Mineral NAu-2

    NASA Astrophysics Data System (ADS)

    Shi, B.; Wu, L.; Liu, K.; Smeaton, C. M.; Li, W.; Beard, B. L.; Johnson, C.; Roden, E. E.; Van Cappellen, P.

    2015-12-01

    Transformations between Fe(II) and Fe(III) in ferruginous clay minerals significantly impact the physicochemical properties of soils and sediments, such as the ion exchange capacity and redox potential. An increasing number of studies have focused on clay minerals that undergo redox changes, however, none have so far addressed Fe isotope fractionation during these processes. In this study, Fe isotope fractionations were determined during microbial reduction of Fe(III) in nontronite NAu-2 with different concentrations of lactate. No secondary Fe-bearing minerals, including Fe oxides, were detected by SEM in over 100 days of incubation, suggesting that the measured fractionations only reflected the net isotope effect associated with the clay minerals. The initial reduction likely started from edge sites, and the reductive dissolution released aqueous Fe(II). Basal plane sorbed Fe(II) was detectable after the extent of Fe reduction exceeded 5% and extensive electron transfer and isotope exchange had occurred between basal plane sorbed Fe(II) and structural Fe(III). With lower concentrations of the lactate(40 mM), the maximum Fe isotope fractionation was larger (∆56Febasal Fe(II)-structure Fe(III)= -4.37‰), consistent with greater adsorption than in systems with more lactate. After the Fe in reactive sites was all reduced, isotope exchange between Fe(II) and structural Fe(III) was inhibited due to blockage of electron transfer pathways by the collapse of the clay layers. The results agree with another study in our group on microbial reduction of NAu-1, despite both the smaller extent of reduction (~10% vs. 22% max bioreduction for NAu-1 and NAu-2, respectively) and smaller isotope fractionation factor than for NAu-2. We speculate that tetrahedral Fe in NAu-2 may have accelerated the electron transfer between Fe atoms, thus inducing a higher extent of reduction and a larger Fe isotope fractionation compared to NAu-1.

  17. Simple shearing flow of dry soap foams with TCP structure[Tetrahedrally Close-Packed

    SciTech Connect

    REINELT,DOUGLAS A.; KRAYNIK,ANDREW M.

    2000-02-16

    The microrheology of dry soap foams subjected to large, quasistatic, simple shearing deformations is analyzed. Two different monodisperse foams with tetrahedrally close-packed (TCP) structure are examined: Weaire-Phelan (A15) and Friauf-Laves (C15). The elastic-plastic response is evaluated by calculating foam structures that minimize total surface area at each value of strain. The minimal surfaces are computed with the Surface Evolver program developed by Brakke. The foam geometry and macroscopic stress are piecewise continuous functions of strain. The stress scales as T/V{sup 1/3} where T is surface tension and V is cell volume. Each discontinuity corresponds to large changes in foam geometry and topology that restore equilibrium to unstable configurations that violate Plateau's laws. The instabilities occur when the length of an edge on a polyhedral foam cell vanishes. The length can tend to zero smoothly or abruptly with strain. The abrupt case occurs when a small increase in strain changes the energy profile in the neighborhood of a foam structure from a local minimum to a saddle point, which can lead to symmetry-breaking bifurcations. In general, the new foam topology associated with each stable solution branch results from a cascade of local topology changes called T1 transitions. Each T1 cascade produces different cell neighbors, reduces surface energy, and provides an irreversible, film-level mechanism for plastic yield behavior. Stress-strain curves and average stresses are evaluated by examining foam orientations that admit strain-periodic behavior. For some orientations, the deformation cycle includes Kelvin cells instead of the original TCP structure; but the foam does not remain perfectly ordered. Bifurcations during subsequent T1 cascades lead to disorder and can even cause strain localization.

  18. Simple shearing flow of dry soap foams with tetrahedrally close-packed structure

    SciTech Connect

    Reinelt, Douglas A.; Kraynik, Andrew M.

    2000-05-01

    The microrheology of dry soap foams subjected to quasistatic, simple shearing flow is analyzed. Two different monodisperse foams with tetrahedrally close-packed (TCP) structure are examined: Weaire-Phelan (A15) and Friauf-Laves (C15). The elastic-plastic response is evaluated by using the Surface Evolver to calculate foam structures that minimize total surface area at each value of strain. The foam geometry and macroscopic stress are piecewise continuous functions of strain. The stress scales as T/V{sup 1/3}, where T is surface tension and V is cell volume. Each discontinuity corresponds to large changes in foam geometry and topology that restore equilibrium to unstable configurations that violate Plateau's laws. The instabilities occur when the length of an edge on a polyhedral foam cell vanishes. The length can tend to zero smoothly or abruptly with strain. The abrupt case occurs when a small increase in strain changes the energy profile in the neighborhood of a foam structure from a local minimum to a saddle point, which can lead to symmetry-breaking bifurcations. In general, the new structure associated with each stable solution branch results from an avalanche of local topology changes called T1 transitions. Each T1 cascade produces different cell neighbors, reduces surface energy, and provides an irreversible, film-level mechanism for plastic yield behavior. Stress-strain curves and average stresses are evaluated by examining foam orientations that admit strain-periodic behavior. For some orientations, the deformation cycle includes Kelvin cells instead of the original TCP structure; but the foam does not remain perfectly ordered. Bifurcations during subsequent T1 cascades lead to disorder and can even cause strain localization. (c) 2000 Society of Rheology.

  19. Quadratic Fermi node in a 3D strongly correlated semimetal.

    PubMed

    Kondo, Takeshi; Nakayama, M; Chen, R; Ishikawa, J J; Moon, E-G; Yamamoto, T; Ota, Y; Malaeb, W; Kanai, H; Nakashima, Y; Ishida, Y; Yoshida, R; Yamamoto, H; Matsunami, M; Kimura, S; Inami, N; Ono, K; Kumigashira, H; Nakatsuji, S; Balents, L; Shin, S

    2015-12-07

    Strong spin-orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin-orbit and strong electron-electron interactions is just beginning to be understood. Central to this emerging area are the 5d transition metal iridium oxides. Here, in the pyrochlore iridate Pr2Ir2O7, we identify a non-trivial state with a single-point Fermi node protected by cubic and time-reversal symmetries, using a combination of angle-resolved photoemission spectroscopy and first-principles calculations. Owing to its quadratic dispersion, the unique coincidence of four degenerate states at the Fermi energy, and strong Coulomb interactions, non-Fermi liquid behaviour is predicted, for which we observe some evidence. Our discovery implies that Pr2Ir2O7 is a parent state that can be manipulated to produce other strongly correlated topological phases, such as topological Mott insulator, Weyl semimetal, and quantum spin and anomalous Hall states.

  20. Quadratic Optimization in the Problems of Active Control of Sound

    NASA Technical Reports Server (NTRS)

    Loncaric, J.; Tsynkov, S. V.; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    We analyze the problem of suppressing the unwanted component of a time-harmonic acoustic field (noise) on a predetermined region of interest. The suppression is rendered by active means, i.e., by introducing the additional acoustic sources called controls that generate the appropriate anti-sound. Previously, we have obtained general solutions for active controls in both continuous and discrete formulations of the problem. We have also obtained optimal solutions that minimize the overall absolute acoustic source strength of active control sources. These optimal solutions happen to be particular layers of monopoles on the perimeter of the protected region. Mathematically, minimization of acoustic source strength is equivalent to minimization in the sense of L(sub 1). By contrast. in the current paper we formulate and study optimization problems that involve quadratic functions of merit. Specifically, we minimize the L(sub 2) norm of the control sources, and we consider both the unconstrained and constrained minimization. The unconstrained L(sub 2) minimization is certainly the easiest problem to address numerically. On the other hand, the constrained approach allows one to analyze sophisticated geometries. In a special case, we call compare our finite-difference optimal solutions to the continuous optimal solutions obtained previously using a semi-analytic technique. We also show that the optima obtained in the sense of L(sub 2) differ drastically from those obtained in the sense of L(sub 1).

  1. Monitoring bioeroding sponges: using rubble, Quadrat, or intercept surveys?

    PubMed

    Schönberg, C H L

    2015-04-01

    Relating to recent environmental changes, bioerosion rates of calcium carbonate materials appear to be increasing worldwide, often driven by sponges that cause bioerosion and are recognized bioindicators for coral reef health. Various field methods were compared to encourage more vigorous research on bioeroding sponges and their inclusion in major monitoring projects. The rubble technique developed by Holmes et al. (2000) had drawbacks often due to small specimen sizes: it was time-costly, generated large variation, and created a biased impression about dominant species. Quadrat surveys were most rapid but overestimated cover of small specimens. Line intercepts are recommended as easiest, least spatially biased, and most accurate, especially when comparing results from different observers. Intercepts required fewer samples and provided the best statistical efficiency, evidenced by better significances and test power. Bioeroding sponge abundances and biodiversities are influenced by water depth, sediment quality, and most importantly by availability of suitable attached substrate. Any related data should thus be standardized to amount of suitable substrate to allow comparison between different environments, concentrating on dominant, easily recognized species to avoid bias due to experience of observers.

  2. Inverse problem of quadratic time-dependent Hamiltonians

    NASA Astrophysics Data System (ADS)

    Guo, Guang-Jie; Meng, Yan; Chang, Hong; Duan, Hui-Zeng; Di, Bing

    2015-08-01

    Using an algebraic approach, it is possible to obtain the temporal evolution wave function for a Gaussian wave-packet obeying the quadratic time-dependent Hamiltonian (QTDH). However, in general, most of the practical cases are not exactly solvable, for we need general solutions of the Riccatti equations which are not generally known. We therefore bypass directly solving for the temporal evolution wave function, and study its inverse problem. We start with a particular evolution of the wave-packet, and get the required Hamiltonian by using the inverse method. The inverse approach opens up a new way to find new exact solutions to the QTDH. Some typical examples are studied in detail. For a specific time-dependent periodic harmonic oscillator, the Berry phase is obtained exactly. Project supported by the National Natural Science Foundation of China (Grant No. 11347171), the Natural Science Foundation of Hebei Province of China (Grant No. A2012108003), and the Key Project of Educational Commission of Hebei Province of China (Grant No. ZD2014052).

  3. Dynamics and linear quadratic optimal control of flexible multibody systems

    NASA Astrophysics Data System (ADS)

    Tung, Chin-Wei

    1994-12-01

    An efficient algorithm for the modeling, dynamic analysis, and optimal control of flexible multibody systems (FMBS) is presented. The cantilevered Bernoulli-Euler beam model and the assumed mode method are used to represent flexibility of elastic bodies in 3D vibration problems. Centrifugal stiffening effects are introduced to correctly represent the dynamic response. The governing equations of motion are based on Kane's equations, adopting a recursive formulation and strategic positioning of the generalized coordinates. The linear quadratic optimization scheme is employed to formulate the vibration control problem. The solutions to the Riccati equation and the use of Kalman gain as optimal control feedbacks to the control of flexibility are also introduced. Based on the optimal control theory and the property of the built-in redundancy for flexible multibody systems, the performance index measure in the optimization control of such systems can be classified into two manifolds: (1) using the extra degrees of freedom resulting from redundancy as control inputs and choosing an integral-type performance index which results in a global optimization scheme and (2) using the joint forces and torques as control inputs and allowing the system output state to keep close track to a reference state while the performance index is kept minimum. Several numerical examples are presented to demonstrate the effectiveness of the methodologies developed.

  4. Junction conditions in quadratic gravity: thin shells and double layers

    NASA Astrophysics Data System (ADS)

    Reina, Borja; Senovilla, José M. M.; Vera, Raül

    2016-05-01

    The junction conditions for the most general gravitational theory with a Lagrangian containing terms quadratic in the curvature are derived. We include the cases with a possible concentration of matter on the joining hypersurface—termed as thin shells, domain walls or braneworlds in the literature—as well as the proper matching conditions where only finite jumps of the energy-momentum tensor are allowed. In the latter case we prove that the matching conditions are more demanding than in general relativity. In the former case, we show that generically the shells/domain walls are of a new kind because they possess, in addition to the standard energy-momentum tensor, a double layer energy-momentum contribution which actually induces an external energy flux vector and an external scalar pressure/tension on the shell. We prove that all these contributions are necessary to make the entire energy-momentum tensor divergence-free, and we present the field equations satisfied by these energy-momentum quantities. The consequences of all these results are briefly analyzed.

  5. Quadratic isothermal amplification for the detection of microRNA.

    PubMed

    Duan, Ruixue; Zuo, Xiaolei; Wang, Shutao; Quan, Xiyun; Chen, Dongliang; Chen, Zhifei; Jiang, Lei; Fan, Chunhai; Xia, Fan

    2014-03-01

    This protocol describes an isothermal amplification approach for ultrasensitive detection of specific microRNAs (miRNAs). It achieves this level of sensitivity through quadratic amplification of the target oligonucleotide by using a Bst DNA polymerase-induced strand-displacement reaction and a lambda exonuclease-aided recycling reaction. First, the target miRNA binds to a specifically designed molecular beacon, causing it to become a fluorescence emitter. A primer then binds to the activated beacon, and Bst polymerase initiates the synthesis of a double-stranded DNA segment templated on the molecular beacon. This causes the concomitant release of the target miRNA from the beacon--the first round of 'recycling'. Second, the duplex beacon thus produced is a suitable substrate for a nicking enzyme present in solution. After the duplex beacon is nicked, the lambda exonuclease digests the beacon and releases the DNA single strand just synthesized, which is complementary to the molecular beacon, inducing the second round of recycling. The miRNA detection limit of this protocol is 10 fmol at 37 °C and 1 amol at 4 °C. This approach also affords high selectivity when applied to miRNA extracted from MCF-7 and PC3 cell lines and even from breast cancer tissue samples. Upon isolation of miRNA, the detection process can be completed in ∼2 h.

  6. Quadratic stabilisability of multi-agent systems under switching topologies

    NASA Astrophysics Data System (ADS)

    Guan, Yongqiang; Ji, Zhijian; Zhang, Lin; Wang, Long

    2014-12-01

    This paper addresses the stabilisability of multi-agent systems (MASs) under switching topologies. Necessary and/or sufficient conditions are presented in terms of graph topology. These conditions explicitly reveal how the intrinsic dynamics of the agents, the communication topology and the external control input affect stabilisability jointly. With the appropriate selection of some agents to which the external inputs are applied and the suitable design of neighbour-interaction rules via a switching topology, an MAS is proved to be stabilisable even if so is not for each of uncertain subsystem. In addition, a method is proposed to constructively design a switching rule for MASs with norm-bounded time-varying uncertainties. The switching rules designed via this method do not rely on uncertainties, and the switched MAS is quadratically stabilisable via decentralised external self-feedback for all uncertainties. With respect to applications of the stabilisability results, the formation control and the cooperative tracking control are addressed. Numerical simulations are presented to demonstrate the effectiveness of the proposed results.

  7. Quadratic Fermi node in a 3D strongly correlated semimetal

    DOE PAGES

    Kondo, Takeshi; Nakayama, M.; Chen, R.; Ishikawa, J. J.; Moon, E. -G.; Yamamoto, T.; Ota, Y.; Malaeb, W.; Kanai, H.; Nakashima, Y.; et al

    2015-12-07

    We report that strong spin–orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin–orbit and strong electron–electron interactions is just beginning to be understood. Central to this emerging area are the 5d transition metal iridium oxides. Here, in the pyrochlore iridate Pr2Ir2O7, we identify a non-trivial state with a single-point Fermi node protected by cubic and time-reversal symmetries, using a combination of angle-resolved photoemission spectroscopy and first-principles calculations. Owing to its quadratic dispersion, the unique coincidence of four degenerate states at the Fermi energy, and strong Coulomb interactions, non-Fermi liquid behaviour ismore » predicted, for which we observe some evidence. Lastly, our discovery implies that Pr2Ir2O7 is a parent state that can be manipulated to produce other strongly correlated topological phases, such as topological Mott insulator, Weyl semimetal, and quantum spin and anomalous Hall states.« less

  8. Linear versus quadratic portfolio optimization model with transaction cost

    NASA Astrophysics Data System (ADS)

    Razak, Norhidayah Bt Ab; Kamil, Karmila Hanim; Elias, Siti Masitah

    2014-06-01

    Optimization model is introduced to become one of the decision making tools in investment. Hence, it is always a big challenge for investors to select the best model that could fulfill their goal in investment with respect to risk and return. In this paper we aims to discuss and compare the portfolio allocation and performance generated by quadratic and linear portfolio optimization models namely of Markowitz and Maximin model respectively. The application of these models has been proven to be significant and popular among others. However transaction cost has been debated as one of the important aspects that should be considered for portfolio reallocation as portfolio return could be significantly reduced when transaction cost is taken into consideration. Therefore, recognizing the importance to consider transaction cost value when calculating portfolio' return, we formulate this paper by using data from Shariah compliant securities listed in Bursa Malaysia. It is expected that, results from this paper will effectively justify the advantage of one model to another and shed some lights in quest to find the best decision making tools in investment for individual investors.

  9. GR angular momentum in the quadratic spinor Lagrangian formulation

    NASA Astrophysics Data System (ADS)

    Li, Siao-Jing

    2016-08-01

    We inquire into the question of whether the quadratic spinor Lagrangian (QSL) formulation can describe the angular momentum for a general-relativistic system. The QSL Hamiltonian has previously been shown to be able to yield an energy-momentum quasilocalization which brings a proof of the positive gravitational energy when the spinor satisfies the conformal Witten equation. After inspection, we find that, under the constraint that the spinor on the asymptotic boundary is a constant, the QSL Hamiltonian is successful in giving an angular momentum quasilocalization. We also make certain the spinor in the Hamiltonian plays the role of a gauge field, a warrant of our permission to impose constraints on the spinor. Then, by some adjustment of the QSL Hamiltonian, we gain a covariant center-of-mass moment quasilocalization only under the condition that the displacement on the asymptotic boundary is a Killing boost vector. We expect the spinor expression will bring a proof of some connection between the gravitational energy and angular momentum.

  10. Quadratic Fermi node in a 3D strongly correlated semimetal

    SciTech Connect

    Kondo, Takeshi; Nakayama, M.; Chen, R.; Ishikawa, J. J.; Moon, E. -G.; Yamamoto, T.; Ota, Y.; Malaeb, W.; Kanai, H.; Nakashima, Y.; Ishida, Y.; Yoshida, R.; Yamamoto, H.; Matsunami, M.; Kimura, S.; Inami, N.; Ono, K.; Kumigashira, H.; Nakatsuji, S.; Balents, L.; Shin, S.

    2015-12-07

    We report that strong spin–orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin–orbit and strong electron–electron interactions is just beginning to be understood. Central to this emerging area are the 5d transition metal iridium oxides. Here, in the pyrochlore iridate Pr2Ir2O7, we identify a non-trivial state with a single-point Fermi node protected by cubic and time-reversal symmetries, using a combination of angle-resolved photoemission spectroscopy and first-principles calculations. Owing to its quadratic dispersion, the unique coincidence of four degenerate states at the Fermi energy, and strong Coulomb interactions, non-Fermi liquid behaviour is predicted, for which we observe some evidence. Lastly, our discovery implies that Pr2Ir2O7 is a parent state that can be manipulated to produce other strongly correlated topological phases, such as topological Mott insulator, Weyl semimetal, and quantum spin and anomalous Hall states.

  11. Quadratic Fermi node in a 3D strongly correlated semimetal

    PubMed Central

    Kondo, Takeshi; Nakayama, M.; Chen, R.; Ishikawa, J. J.; Moon, E.-G.; Yamamoto, T.; Ota, Y.; Malaeb, W.; Kanai, H.; Nakashima, Y.; Ishida, Y.; Yoshida, R.; Yamamoto, H.; Matsunami, M.; Kimura, S.; Inami, N.; Ono, K.; Kumigashira, H.; Nakatsuji, S.; Balents, L.; Shin, S.

    2015-01-01

    Strong spin–orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin–orbit and strong electron–electron interactions is just beginning to be understood. Central to this emerging area are the 5d transition metal iridium oxides. Here, in the pyrochlore iridate Pr2Ir2O7, we identify a non-trivial state with a single-point Fermi node protected by cubic and time-reversal symmetries, using a combination of angle-resolved photoemission spectroscopy and first-principles calculations. Owing to its quadratic dispersion, the unique coincidence of four degenerate states at the Fermi energy, and strong Coulomb interactions, non-Fermi liquid behaviour is predicted, for which we observe some evidence. Our discovery implies that Pr2Ir2O7 is a parent state that can be manipulated to produce other strongly correlated topological phases, such as topological Mott insulator, Weyl semimetal, and quantum spin and anomalous Hall states. PMID:26640114

  12. Adaptive mesh refinement for time-domain electromagnetics using vector finite elements :a feasibility study.

    SciTech Connect

    Turner, C. David; Kotulski, Joseph Daniel; Pasik, Michael Francis

    2005-12-01

    This report investigates the feasibility of applying Adaptive Mesh Refinement (AMR) techniques to a vector finite element formulation for the wave equation in three dimensions. Possible error estimators are considered first. Next, approaches for refining tetrahedral elements are reviewed. AMR capabilities within the Nevada framework are then evaluated. We summarize our conclusions on the feasibility of AMR for time-domain vector finite elements and identify a path forward.

  13. Application of finite-element method to three-dimensional nuclear reactor analysis

    SciTech Connect

    Cheung, K.Y.

    1985-01-01

    The application of the finite element method to solve a realistic one-or-two energy group, multiregion, three-dimensional static neutron diffusion problem is studied. Linear, quadratic, and cubic serendipity box-shape elements are used. The resulting sets of simultaneous algebraic equations with thousands of unknowns are solved by the conjugate gradient method, without forming the large coefficient matrix explicitly. This avoids the complicated data management schemes to store such a large coefficient matrix. Three finite-element computer programs: FEM-LINEAR, FEM-QUADRATIC and FEM-CUBIC were developed, using the linear, quadratic, and cubic box-shape elements respectively. They are self-contained, using simple nodal labeling schemes, without the need for separate finite element mesh generating routines. The efficiency and accuracy of these computer programs are then compared among themselves, and with other computer codes. The cubic element model is not recommended for practical usage because it gives almost identical results as the quadratic model, but it requires considerably longer computation time. The linear model is less accurate than the quadratic model, but it requires much shorter computation time. For a large 3-D problem, the linear model is to be preferred since it gives acceptable accuracy. The quadratic model may be used if improved accuracy is desired.

  14. The distribution of stresses and strains in the mating elements disk tools working bodies of roadheaders

    NASA Astrophysics Data System (ADS)

    Khoreshok, A. A.; Mametyev, L. E.; Borisov, A. Yu; Vorobyev, A. V.

    2015-09-01

    Presents the results of modeling the stress-strain state in the mating structural elements of the attachment disk tools various design on triangular and tetrahedral prisms working bodies of roadheaders selective action in the destruction of coalface of heterogeneous structure.

  15. New type of Weyl semimetal with quadratic double Weyl fermions

    PubMed Central

    Huang, Shin-Ming; Xu, Su-Yang; Belopolski, Ilya; Lee, Chi-Cheng; Chang, Guoqing; Chang, Tay-Rong; Wang, BaoKai; Alidoust, Nasser; Bian, Guang; Neupane, Madhab; Sanchez, Daniel; Zheng, Hao; Jeng, Horng-Tay; Bansil, Arun; Neupert, Titus; Lin, Hsin; Hasan, M. Zahid

    2016-01-01

    Weyl semimetals have attracted worldwide attention due to their wide range of exotic properties predicted in theories. The experimental realization had remained elusive for a long time despite much effort. Very recently, the first Weyl semimetal has been discovered in an inversion-breaking, stoichiometric solid TaAs. So far, the TaAs class remains the only Weyl semimetal available in real materials. To facilitate the transition of Weyl semimetals from the realm of purely theoretical interest to the realm of experimental studies and device applications, it is of crucial importance to identify other robust candidates that are experimentally feasible to be realized. In this paper, we propose such a Weyl semimetal candidate in an inversion-breaking, stoichiometric compound strontium silicide, SrSi2, with many new and novel properties that are distinct from TaAs. We show that SrSi2 is a Weyl semimetal even without spin–orbit coupling and that, after the inclusion of spin–orbit coupling, two Weyl fermions stick together forming an exotic double Weyl fermion with quadratic dispersions and a higher chiral charge of ±2. Moreover, we find that the Weyl nodes with opposite charges are located at different energies due to the absence of mirror symmetry in SrSi2, paving the way for the realization of the chiral magnetic effect. Our systematic results not only identify a much-needed robust Weyl semimetal candidate but also open the door to new topological Weyl physics that is not possible in TaAs. PMID:26787914

  16. New type of Weyl semimetal with quadratic double Weyl fermions.

    PubMed

    Huang, Shin-Ming; Xu, Su-Yang; Belopolski, Ilya; Lee, Chi-Cheng; Chang, Guoqing; Chang, Tay-Rong; Wang, BaoKai; Alidoust, Nasser; Bian, Guang; Neupane, Madhab; Sanchez, Daniel; Zheng, Hao; Jeng, Horng-Tay; Bansil, Arun; Neupert, Titus; Lin, Hsin; Hasan, M Zahid

    2016-02-01

    Weyl semimetals have attracted worldwide attention due to their wide range of exotic properties predicted in theories. The experimental realization had remained elusive for a long time despite much effort. Very recently, the first Weyl semimetal has been discovered in an inversion-breaking, stoichiometric solid TaAs. So far, the TaAs class remains the only Weyl semimetal available in real materials. To facilitate the transition of Weyl semimetals from the realm of purely theoretical interest to the realm of experimental studies and device applications, it is of crucial importance to identify other robust candidates that are experimentally feasible to be realized. In this paper, we propose such a Weyl semimetal candidate in an inversion-breaking, stoichiometric compound strontium silicide, SrSi2, with many new and novel properties that are distinct from TaAs. We show that SrSi2 is a Weyl semimetal even without spin-orbit coupling and that, after the inclusion of spin-orbit coupling, two Weyl fermions stick together forming an exotic double Weyl fermion with quadratic dispersions and a higher chiral charge of ±2. Moreover, we find that the Weyl nodes with opposite charges are located at different energies due to the absence of mirror symmetry in SrSi2, paving the way for the realization of the chiral magnetic effect. Our systematic results not only identify a much-needed robust Weyl semimetal candidate but also open the door to new topological Weyl physics that is not possible in TaAs. PMID:26787914

  17. New type of Weyl semimetal with quadratic double Weyl fermions.

    PubMed

    Huang, Shin-Ming; Xu, Su-Yang; Belopolski, Ilya; Lee, Chi-Cheng; Chang, Guoqing; Chang, Tay-Rong; Wang, BaoKai; Alidoust, Nasser; Bian, Guang; Neupane, Madhab; Sanchez, Daniel; Zheng, Hao; Jeng, Horng-Tay; Bansil, Arun; Neupert, Titus; Lin, Hsin; Hasan, M Zahid

    2016-02-01

    Weyl semimetals have attracted worldwide attention due to their wide range of exotic properties predicted in theories. The experimental realization had remained elusive for a long time despite much effort. Very recently, the first Weyl semimetal has been discovered in an inversion-breaking, stoichiometric solid TaAs. So far, the TaAs class remains the only Weyl semimetal available in real materials. To facilitate the transition of Weyl semimetals from the realm of purely theoretical interest to the realm of experimental studies and device applications, it is of crucial importance to identify other robust candidates that are experimentally feasible to be realized. In this paper, we propose such a Weyl semimetal candidate in an inversion-breaking, stoichiometric compound strontium silicide, SrSi2, with many new and novel properties that are distinct from TaAs. We show that SrSi2 is a Weyl semimetal even without spin-orbit coupling and that, after the inclusion of spin-orbit coupling, two Weyl fermions stick together forming an exotic double Weyl fermion with quadratic dispersions and a higher chiral charge of ±2. Moreover, we find that the Weyl nodes with opposite charges are located at different energies due to the absence of mirror symmetry in SrSi2, paving the way for the realization of the chiral magnetic effect. Our systematic results not only identify a much-needed robust Weyl semimetal candidate but also open the door to new topological Weyl physics that is not possible in TaAs.

  18. Gravity waves from non-minimal quadratic inflation

    SciTech Connect

    Pallis, Constantinos; Shafi, Qaisar

    2015-03-12

    We discuss non-minimal quadratic inflation in supersymmetric (SUSY) and non-SUSY models which entails a linear coupling of the inflaton to gravity. Imposing a lower bound on the parameter c{sub R}, involved in the coupling between the inflaton and the Ricci scalar curvature, inflation can be attained even for subplanckian values of the inflaton while the corresponding effective theory respects the perturbative unitarity up to the Planck scale. Working in the non-SUSY context we also consider radiative corrections to the inflationary potential due to a possible coupling of the inflaton to bosons or fermions. We find ranges of the parameters, depending mildly on the renormalization scale, with adjustable values of the spectral index n{sub s}, tensor-to-scalar ratio r≃(2−4)⋅10{sup −3}, and an inflaton mass close to 3⋅10{sup 13} GeV. In the SUSY framework we employ two gauge singlet chiral superfields, a logarithmic Kähler potential including all the allowed terms up to fourth order in powers of the various fields, and determine uniquely the superpotential by applying a continuous R and a global U(1) symmetry. When the Kähler manifold exhibits a no-scale-type symmetry, the model predicts n{sub s}≃0.963 and r≃0.004. Beyond no-scale SUGRA, n{sub s} and r depend crucially on the coefficient involved in the fourth order term, which mixes the inflaton with the accompanying non-inflaton field in the Kähler potential, and the prefactor encountered in it. Increasing slightly the latter above (−3), an efficient enhancement of the resulting r can be achieved putting it in the observable range. The inflaton mass in the last case is confined in the range (5−9)⋅10{sup 13} GeV.

  19. Quadratic adaptive algorithm for solving cardiac action potential models.

    PubMed

    Chen, Min-Hung; Chen, Po-Yuan; Luo, Ching-Hsing

    2016-10-01

    An adaptive integration method is proposed for computing cardiac action potential models accurately and efficiently. Time steps are adaptively chosen by solving a quadratic formula involving the first and second derivatives of the membrane action potential. To improve the numerical accuracy, we devise an extremum-locator (el) function to predict the local extremum when approaching the peak amplitude of the action potential. In addition, the time step restriction (tsr) technique is designed to limit the increase in time steps, and thus prevent the membrane potential from changing abruptly. The performance of the proposed method is tested using the Luo-Rudy phase 1 (LR1), dynamic (LR2), and human O'Hara-Rudy dynamic (ORd) ventricular action potential models, and the Courtemanche atrial model incorporating a Markov sodium channel model. Numerical experiments demonstrate that the action potential generated using the proposed method is more accurate than that using the traditional Hybrid method, especially near the peak region. The traditional Hybrid method may choose large time steps near to the peak region, and sometimes causes the action potential to become distorted. In contrast, the proposed new method chooses very fine time steps in the peak region, but large time steps in the smooth region, and the profiles are smoother and closer to the reference solution. In the test on the stiff Markov ionic channel model, the Hybrid blows up if the allowable time step is set to be greater than 0.1ms. In contrast, our method can adjust the time step size automatically, and is stable. Overall, the proposed method is more accurate than and as efficient as the traditional Hybrid method, especially for the human ORd model. The proposed method shows improvement for action potentials with a non-smooth morphology, and it needs further investigation to determine whether the method is helpful during propagation of the action potential. PMID:27639239

  20. Convergence properties of a quadratic approach to the inverse-scattering problem

    NASA Astrophysics Data System (ADS)

    Persico, Raffaele; Soldovieri, Francesco; Pierri, Rocco

    2002-12-01

    The local-minima question that arises in the framework of a quadratic approach to inverse-scattering problems is investigated. In particular, a sufficient condition for the absence of local minima is given, and some guidelines to ensure the reliability of the algorithm are outlined for the case of data not belonging to the range of the relevant quadratic operator. This is relevant also when an iterated solution procedure based on a quadratic approximation of the electromagnetic scattering at each step is considered.

  1. Sandia Higher Order Elements (SHOE) v 0.5 alpha

    SciTech Connect

    2013-09-24

    SHOE is research code for characterizing and visualizing higher-order finite elements; it contains a framework for defining classes of interpolation techniques and element shapes; methods for interpolating triangular, quadrilateral, tetrahedral, and hexahedral cells using Lagrange and Legendre polynomial bases of arbitrary order; methods to decompose each element into domains of constant gradient flow (using a polynomial solver to identify critical points); and an isocontouring technique that uses this decomposition to guarantee topological correctness. Please note that this is an alpha release of research software and that some time has passed since it was actively developed; build- and run-time issues likely exist.

  2. Sandia Higher Order Elements (SHOE) v 0.5 alpha

    2013-09-24

    SHOE is research code for characterizing and visualizing higher-order finite elements; it contains a framework for defining classes of interpolation techniques and element shapes; methods for interpolating triangular, quadrilateral, tetrahedral, and hexahedral cells using Lagrange and Legendre polynomial bases of arbitrary order; methods to decompose each element into domains of constant gradient flow (using a polynomial solver to identify critical points); and an isocontouring technique that uses this decomposition to guarantee topological correctness. Please notemore » that this is an alpha release of research software and that some time has passed since it was actively developed; build- and run-time issues likely exist.« less

  3. Three isoparametric solid elements for NASTRAN. [for static, dynamic, buckling, and heat transfer analyses

    NASA Technical Reports Server (NTRS)

    Johnson, S. E.; Field, E. I.

    1973-01-01

    Linear, quadratic, and cubic isoparametric hexahedral solid elements have been added to the element library of NASTRAN. These elements are available for static, dynamic, buckling, and heat-transfer analyses. Because the isoparametric element matrices are generated by direct numerical integration over the volume of the element, variations in material properties, temperatures, and stresses within the elements are represented in the computations. In order to compare the accuracy of the new elements, three similar models of a slender cantilever were developed, one for each element. All elements performed well. As expected, however, the linear element model yielded excellent results only when shear behavior predominated. In contrast, the results obtained from the quadratic and cubic element models were excellent in both shear and bending.

  4. Yttrium(III)-containing tungstoantimonate(III) stabilized by tetrahedral WO4(2-) capping unit, [{Y(α-SbW9O31(OH)2)(CH3COO)(H2O)}3(WO4)]17-.

    PubMed

    Ibrahim, Masooma; Mal, Sib Sankar; Bassil, Bassem S; Banerjee, Abhishek; Kortz, Ulrich

    2011-02-01

    The yttrium(III)-containing tungstoantimonate(III) [{Y(α-SbW(9)O(31)(OH)(2))(CH(3)COO)(H(2)O)}(3)(WO(4))](17-) (1) has been synthesized in a simple one-pot reaction of Y(3+) ions with [α-SbW(9)O(33)](9-) and WO(4)(2-) in a 3:3:1 molar ratio in 1 M LiOAc/AcOH buffer at pH 5.3. Polyanion 1 is composed of three (α-SbW(9)O(33)) units linked by three Y(3+) ions and a capping, tetrahedral WO(4)(2-) capping unit, resulting in an assembly with C(3v) symmetry. The hydrated ammonium-sodium salt of 1 was investigated in the solid state by single-crystal XRD, FT-IR spectroscopy, thermogravimetric and elemental analyses, and in solution by multinuclear NMR spectroscopy.

  5. Modeling of hole-expansion of AA6022-T4 aluminum sheets with anisotropic non-quadratic yield functions

    NASA Astrophysics Data System (ADS)

    Korkolis, Yannis P.; Brownell, Benjamin; Coppieters, Sam; Tian, Haobin

    2016-08-01

    In the hole-expansion of anisotropic AA6022-T4 sheets, the strain around the hole is non-uniformly distributed due to the anisotropy of the material. This was examined by performing experiments with a flat-headed punch and using Digital Image Correlation (DIC). In the experiments, failure always initiated at a unique location, oriented at 45° to the Rolling Direction of the sheet. The use of DIC allowed the probing of the full-strain-field in real-time. Subsequently, the experiments were simulated in DYNAFORM using shell elements and the Yld2000-2D anisotropic non-quadratic yield function, properly calibrated for this material. In addition, the hardening curve of the material was inversely identified at large strains from the tail of the tensile test. The strain evolution is compared between the experiments and the model.

  6. The Existence of Periodic Orbits and Invariant Tori for Some 3-Dimensional Quadratic Systems

    PubMed Central

    Jiang, Yanan; Han, Maoan; Xiao, Dongmei

    2014-01-01

    We use the normal form theory, averaging method, and integral manifold theorem to study the existence of limit cycles in Lotka-Volterra systems and the existence of invariant tori in quadratic systems in ℝ3. PMID:24982980

  7. The existence of periodic orbits and invariant tori for some 3-dimensional quadratic systems.

    PubMed

    Jiang, Yanan; Han, Maoan; Xiao, Dongmei

    2014-01-01

    We use the normal form theory, averaging method, and integral manifold theorem to study the existence of limit cycles in Lotka-Volterra systems and the existence of invariant tori in quadratic systems in ℝ(3).

  8. Stability of the equilibrium positions of an engine with nonlinear quadratic springs

    NASA Astrophysics Data System (ADS)

    Stănescu, Nicolae-Doru; Popa, Dinel

    2014-06-01

    Our paper realizes a study of the equilibrium positions for an engine supported by four identical nonlinear springs of quadratic characteristic. The systems with quadratic characteristic are generally avoided because they lead to mathematical complications. Our goal is to realize such a study for an engine supported on quadratic springs. For the model purposed, we established the equations of motion and we discussed the possibilities for the equilibrium positions. Because of the quadratic characteristic of the springs and of the approximations made for the small rotations, the equations obtained for the equilibrium lead us to a paradox, which consists in the existence of an open neighborhood in which there exists an infinity of positions of indifferent equilibrium, or a curve where the equilibrium positions are situated. Moreover, the study of the stability shows that the stability is assured for the position at which the springs are not compressed. Finally, a numerical example is presented and completely solved.

  9. The existence of periodic orbits and invariant tori for some 3-dimensional quadratic systems.

    PubMed

    Jiang, Yanan; Han, Maoan; Xiao, Dongmei

    2014-01-01

    We use the normal form theory, averaging method, and integral manifold theorem to study the existence of limit cycles in Lotka-Volterra systems and the existence of invariant tori in quadratic systems in ℝ(3). PMID:24982980

  10. Observers for a class of systems with nonlinearities satisfying an incremental quadratic inequality

    NASA Technical Reports Server (NTRS)

    Acikmese, Ahmet Behcet; Martin, Corless

    2004-01-01

    We consider the problem of state estimation from nonlinear time-varying system whose nonlinearities satisfy an incremental quadratic inequality. Observers are presented which guarantee that the state estimation error exponentially converges to zero.

  11. Using Simple Quadratic Equations to Estimate Equilibrium Concentrations of an Acid

    ERIC Educational Resources Information Center

    Brilleslyper, Michael A.

    2004-01-01

    Application of quadratic equations to standard problem in chemistry like finding equilibrium concentrations of ions in an acid solution is explained. This clearly shows that pure mathematical analysis has meaningful applications in other areas as well.

  12. Surface structure of tetrahedral-coordinated amorphous diamond-like carbon films grown by pulsed laser deposition

    SciTech Connect

    Mercer, T.W.; DiNardo, N.J. |; Martinez-Miranda, L.J.; Fang, F.; Friedmann, T.A.; Sullivan, J.P.; Siegal, M.P.

    1994-12-31

    The structure and composition of tetrahedral-coordinated amorphous diamond-like carbon films (a-tC) grown by pulsed laser deposition (PLD) of graphite has been studied with atomic force microscopy (AFM). The nanometer-scale surface structure has been studied as a function of growth parameters (e.g., laser energy density and film thickness) using contact-mode and tapping-mode AFM. Although the surfaces were found to be generally smooth, they exhibited reproducible structural features on several size scales which correlate with the variation of laser energy and th excited ion etching.

  13. Mo-containing tetrahedral amorphous carbon deposited by dualfiltered cathodic vacuum arc with selective pulsed bias voltage

    SciTech Connect

    Pasaja, Nitisak; Sansongsiri, Sakon; Anders, Andre; Vilaithong,Thiraphat; Intasiri, Sawate

    2006-09-10

    Metal-containing tetrahedral amorphous carbon films were produced by dual filtered cathodic vacuum arc (FCVA) plasma sources operated in sequential pulsed mode. A negatively pulsed bias was applied to the substrate only when carbon plasma was generated. Films thickness was measured after deposition by profilometry. Glass slides with silver pads were used as substrate for the of the measurement sheet resistance. The microstructure and composition of the films were characterized by Raman spectroscopy and Rutherford backscattering, respectively. It found that the electrical resistivity decreases with an increase of the Mo content, which can be ascribed to an increase of sp2 content and an increase of the sp2 cluster size.

  14. Mo-containing tetrahedral amorphous carbon deposited by dualfiltered cathodic vacuum arc with selective pulsed bias voltage

    SciTech Connect

    Pasaja, Nitisak; Sansongsiri, Sakon; Intasiri, Sawate; Vilaithong, Thiraphat; Anders, Andre

    2007-01-24

    Metal-containing tetrahedral amorphous carbon films wereproduced by dual filtered cathodic vacuum arc plasma sources operatedinsequentially pulsed mode. Negatively pulsed bias was applied to thesubstrate when carbon plasma was generated, whereas it was absentwhen themolybdenum plasma was presented. Film thickness was measured afterdeposition by profilometry. Glass slides with silver padswere used assubstrates for the measurement of the sheet resistance. Themicrostructure and composition of the films were characterizedbyRamanspectroscopy and Rutherford backscattering, respectively. It was foundthat the electrical resistivity decreases with an increaseof the Mocontent, which can be ascribed to an increase of the sp2 content and anincrease of the sp2 cluster size.

  15. Optimal Control Using Pontryagin's Maximum Principle in a Linear Quadratic Differential Game

    NASA Astrophysics Data System (ADS)

    Khakestari, Marzieh; Ibragimov, Gafurjan; Suleiman, Mohamed

    This paper deals with a class of two person zero-sum linear quadratic differential games, where the control functions for both players subject to integral constraints. Also the necessary conditions of the Maximum Principle are studied. Main objective in this work is to obtain optimal control by using method of Pontryagin's Maximum Principle. This method for a time-varying linear quadratic differential game is described. Finally, we discuss about an example.

  16. Models of quadratic quantum algebras and their relation to classical superintegrable systems

    SciTech Connect

    Kalnins, E. G.; Miller, W.; Post, S.

    2009-05-15

    We show how to construct realizations (models) of quadratic algebras for 2D second order superintegrable systems in terms of differential or difference operators in one variable. We demonstrate how various models of the quantum algebras arise naturally from models of the Poisson algebras for the corresponding classical superintegrable system. These techniques extend to quadratic algebras related to superintegrable systems in n dimensions and are intimately related to multivariable orthogonal polynomials.

  17. Electrical and Electrochemical Properties of Nitrogen-Containing Tetrahedral Amorphous Carbon (ta-C) Thin Films

    NASA Astrophysics Data System (ADS)

    Yang, Xingyi

    Tetrahedral amorphous carbon (ta-C) is a diamond-like carbon (DLC) material comprised of a mixture of sp2 (˜40%) and sp3-bonded (˜60%) carbon domains. The physicochemical structure and electrochemical properties depend strongly on the sp2/sp3 bonding ratio as well as the incorporation of impurities, such as hydrogen or nitrogen. The ability to grow ta-C films at lower temperatures (25-100 °C) on a wider variety of substrates is a potential advantage of these materials as compared with diamond films. In this project, the basic structural and electrochemical properties of nitrogen-incorporated ta-C thin films will be discussed. The major goal of this work was to determine if the ta-C:N films exhibit electrochemical properties more closely aligned with those of boron-doped diamond (sp 3 carbon) or glassy carbon (amorphous sp2 carbon). Much like diamond, ta-C:N thin-film electrodes are characterized by a low background voltammetric current, a wide working potential window, relatively rapid electron-transfer kinetics for aqueous redox systems, such as Fe(CN) 6-3/-4 and Ru(NH3)6+3/+2 , and weak adsorption of polar molecules from solution. For example, negligible adsorption of methylene blue was found on the ta-C:N films in contrast to glassy carbon; a surface on which this molecule strongly adsorbs. The film microstructure was studied with x-ray photoelectron microscopy (XPS), visible Raman spectroscopy and electron-energy loss spectroscopy (EELS); all of which revealed the sp2-bonded carbon content increased with increasing nitrogen. The electrical properties of ta-C:N films were studied by four-point probe resistance measurement and conductive-probe AFM (CP-AFM). The incorporation of nitrogen into ta-C films increased the electrical conductivity primarily by increasing the sp2-bonded carbon content. CP-AFM showed the distribution of the conductive sp2-carbon on the film surface was not uniform. These films have potential to be used in field emission area. The

  18. Morphofunctional Analysis of the Quadrate of Spinosauridae (Dinosauria: Theropoda) and the Presence of Spinosaurus and a Second Spinosaurine Taxon in the Cenomanian of North Africa.

    PubMed Central

    Hendrickx, Christophe; Mateus, Octávio; Buffetaut, Eric

    2016-01-01

    Six quadrate bones, of which two almost certainly come from the Kem Kem beds (Cenomanian, Upper Cretaceous) of south-eastern Morocco, are determined to be from juvenile and adult individuals of Spinosaurinae based on phylogenetic, geometric morphometric, and phylogenetic morphometric analyses. Their morphology indicates two morphotypes evidencing the presence of two spinosaurine taxa ascribed to Spinosaurus aegyptiacus and? Sigilmassasaurus brevicollis in the Cenomanian of North Africa, casting doubt on the accuracy of some recent skeletal reconstructions which may be based on elements from several distinct species. Morphofunctional analysis of the mandibular articulation of the quadrate has shown that the jaw mechanics was peculiar in Spinosauridae. In mature spinosaurids, the posterior parts of the two mandibular rami displaced laterally when the jaw was depressed due to a lateromedially oriented intercondylar sulcus of the quadrate. Such lateral movement of the mandibular ramus was possible due to a movable mandibular symphysis in spinosaurids, allowing the pharynx to be widened. Similar jaw mechanics also occur in some pterosaurs and living pelecanids which are both adapted to capture and swallow large prey items. Spinosauridae, which were engaged, at least partially, in a piscivorous lifestyle, were able to consume large fish and may have occasionally fed on other prey such as pterosaurs and juvenile dinosaurs. PMID:26734729

  19. Design of Semiconducting Tetrahedral Mn 1 ₋ x Zn x O Alloys and Their Application to Solar Water Splitting

    DOE PAGES

    Peng, Haowei; Ndione, Paul F.; Ginley, David S.; Zakutayev, Andriy; Lany, Stephan

    2015-05-18

    Transition metal oxides play important roles as contact and electrode materials, but their use as active layers in solar energy conversion requires achieving semiconducting properties akin to those of conventional semiconductors like Si or GaAs. In particular, efficient bipolar carrier transport is a challenge in these materials. Based on the prediction that a tetrahedral polymorph of MnO should have such desirable semiconducting properties, and the possibility to overcome thermodynamic solubility limits by nonequilibrium thin-film growth, we exploit both structure-property and composition-structure relationships to design and realize novel wurtzite-structure Mn₁₋xZnxO alloys. At Zn compositions above x ≈ 0.3, thin films ofmore » these alloys assume the tetrahedral wurtzite structure instead of the octahedral rocksalt structure of MnO, thereby enabling semiconductor properties that are unique among transition metal oxides, i.e., a band gap within the visible spectrum, a band-transport mechanism for both electron and hole carriers, electron doping, and a band lineup suitable for solar hydrogen generation. A proof of principle is provided by initial photo-electrocatalytic device measurements, corroborating, in particular, the predicted favorable hole-transport properties of these alloys.« less

  20. Study of intercalated Ti atom in tetrahedral or octahedral sites of titanium disulfide (001) surfaces: theoretical scanning tunneling microscopy images.

    PubMed

    Amzallag, E; Baraille, I; Martinez, H; Rérat, M; Gonbeau, D

    2008-01-01

    We have performed ab initio linear combination of atomic orbitals-density functional theory calculations on biperiodic supercells to model the electronic and geometrical involvements of Ti intercalated atom in either octahedral or tetrahedral sites of the (001) TiS2 surfaces. For each type of defect, both the relaxed atomic structure and the electronic properties of the defect states were carefully analyzed. For the titanium atom in the van der Waals gap, the partial filling of the conduction band is in agreement with the metallic behavior reported by experimental studies and the last filled states in the bottom of the conduction band--mainly developed on titanium 3d orbitals--permit us to explain the dark defects observed on the scanning tunneling microscopy image of the (001) TiS2 surfaces. On the other hand, the intercalated titanium atom in the tetrahedral site which is just below the top sulfur atom plane governs the electronic density detected by the tip. It permits us to explain the triangular defect with a clear maximum of intensity in its center and dark sides.

  1. Aromatic substituents for prohibiting side-chain packing and π-π stacking in tin-cored tetrahedral stilbenoids

    NASA Astrophysics Data System (ADS)

    Kim, Cheolmin; Yoon, Min-Ju; Hong, Seok Hee; Park, Minjoon; Park, Kwangyong; Kim, Soo Young

    2016-05-01

    Tetrahedral structures comprising Sn-cored materials with five different types of substituents were synthesized. For the substituents, we employed methyl and tert-butyl as aliphatic groups, and naphthyl and phenyl as aromatic groups. The bandgap is in the range of 3.28 - 3.56 eV. The All the compounds with substituents showed bathochromical photoluminescence characteristics and exhibited aggregation-induced emission characteristics. Specifically, the compounds with aromatic substituents prohibited side-chain packing and π-π stacking. The energy levels of the highest occupied and lowest unoccupied molecular orbitals were measured to be 5.5 - 5.75 and 2.0 - 2.37 eV, respectively. The maximum luminance efficiencies and power efficiencies of the Sn-cored compound-based organic light-emitting diodes (OLEDs) were 0.38 - 0.71 cd/A and 0.15 - 0.28 lm/W. Therefore, it is expected that Sn-cored compounds with a tetrahedral structure, especially those containing aromatic substituents, can be used as an active material in blue OLEDs for prohibiting side-chain packing and π-π stacking. [Figure not available: see fulltext.

  2. Effect of mesh element type of Finite Element Model (FEM) on unimorph cantilever vibration

    NASA Astrophysics Data System (ADS)

    Aris, H.; Fitrio, D.; Singh, J.

    2013-12-01

    This paper discusses mesh refinement methods used to perform Finite Element Analysis (FEA) for vibration based MEMS Energy Harvester. The three types of meshing elements, 1) Linear Hexahedral, 2) Parabolic Hexahedral and 3) Parabolic Tetrahedral, were used in this study. The meshing methods are used to ensure accurate simulation result particularly in stress, and strain analysis obtained, since they are determined by the displacement of each node in the physical structure. The study of the accuracy of an mesh analysis is also known as mesh convergence study which element aspect ratios must be refined consistently. In this paper the dimensions of each elements were also varied in order to investigate the significant of this methods in achieving better ratios of simulation to theoretical results.

  3. Finite Element Flux-Corrected Transport (FEM-FCT) for the Euler and Navier-Stokes equations

    NASA Technical Reports Server (NTRS)

    Loehner, Rainald; Morgan, Ken; Peraire, Jaime; Vahdati, Mehdi

    1987-01-01

    A high resolution finite element method for the solution of problems involving high speed compressible flows is presented. The method uses the concepts of flux-corrected transport and is presented in a form which is suitable for implementation on completely unstructured triangular or tetrahedral meshes. Transient and steady state examples are solved to illustrate the performance of the algorithm.

  4. Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.

    PubMed

    Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang

    2015-05-18

    The salt elimination reactions of (IPr2Me2)2FeCl2 (IPr2Me2 = 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene) with the corresponding aryl Grignard reagents afford [(IPr2Me2)2FeAr2] (Ar = Ph, 3; C6H4-p-Me, 4; C6H4-p-(t)Bu, 5; C6H3-3,5-(CF3)2, 6) in good yields. X-ray crystallographic studies revealed the presence of both tetrahedral and trans square planar isomers for 3 and 6 and the tetrahedral structures for 4 and 5. Magnetic susceptibility and (57)Fe Mössbauer spectrum measurements on the solid samples indicated the high-spin (S = 2) and intermediate-spin (S = 1) nature of the tetrahedral and square planar structures, respectively. Solution property studies, including solution magnetic susceptibility measurement, variable-temperature (1)H and (19)F NMR, and absorption spectroscopy, on 3-6, as well as an (57)Fe Mössbauer spectrum study on a frozen tetrahydrofuran solution of tetrahedral [(IPr2Me2)2(57)FePh2] suggest the coexistence of tetrahedral and trans square planar structures in solution phase. Density functional theory calculations on (IPr2Me2)2FePh2 disclosed that the tetrahedral and trans square planar isomers are close in energy and that the geometry isomerization can occur by spin-change-coupled geometric transformation on four-coordinate iron(II) center. PMID:25822256

  5. A Wavelet Bicoherence-Based Quadratic Nonlinearity Feature for Translational Axis Condition Monitoring

    PubMed Central

    Li, Yong; Wang, Xiufeng; Lin, Jing; Shi, Shengyu

    2014-01-01

    The translational axis is one of the most important subsystems in modern machine tools, as its degradation may result in the loss of the product qualification and lower the control precision. Condition-based maintenance (CBM) has been considered as one of the advanced maintenance schemes to achieve effective, reliable and cost-effective operation of machine systems, however, current vibration-based maintenance schemes cannot be employed directly in the translational axis system, due to its complex structure and the inefficiency of commonly used condition monitoring features. In this paper, a wavelet bicoherence-based quadratic nonlinearity feature is proposed for translational axis condition monitoring by using the torque signature of the drive servomotor. Firstly, the quadratic nonlinearity of the servomotor torque signature is discussed, and then, a biphase randomization wavelet bicoherence is introduced for its quadratic nonlinear detection. On this basis, a quadratic nonlinearity feature is proposed for condition monitoring of the translational axis. The properties of the proposed quadratic nonlinearity feature are investigated by simulations. Subsequently, this feature is applied to the real-world servomotor torque data collected from the X-axis on a high precision vertical machining centre. All the results show that the performance of the proposed feature is much better than that of original condition monitoring features. PMID:24473281

  6. Classification of the quantum two-dimensional superintegrable systems with quadratic integrals and the Staeckel transforms

    SciTech Connect

    Daskaloyannis, C. Tanoudis, Y.

    2008-05-15

    The two-dimensional quantum superintegrable systems with quadratic integrals of motion on a manifold are classified by using the quadratic associative algebra of the integrals of motion. There are six general fundamental classes of quantum superintegrable systems corresponding to the classical ones. Analytic formulas for the involved integrals are calculated in all the cases. All the known quantum superintegrable systems with quadratic integrals are classified as special cases of these six general classes. The coefficients of the quadratic associative algebra of integrals are calculated and they are compared to the coefficients of the corresponding coefficients of the Poisson quadratic algebra of the classical systems. The quantum coefficients are similar to the classical ones multiplied by a quantum coefficient -{h_bar}{sup 2} plus a quantum deformation of order {h_bar}{sup 4} and {h_bar}{sup 6}. The systems inside the classes are transformed using Staeckel transforms in the quantum case as in the classical case. The general form of the Staeckel transform between superintegrable systems is discussed.

  7. SERS assay of telomerase activity at single-cell level and colon cancer tissues via quadratic signal amplification.

    PubMed

    Shi, Muling; Zheng, Jing; Liu, Changhui; Tan, Guixiang; Qing, Zhihe; Yang, Sheng; Yang, Jinfeng; Tan, Yongjun; Yang, Ronghua

    2016-03-15

    As an important biomarker and therapeutic target, telomerase has attracted extensive attention concerning its detection and monitoring. Recently, enzyme-assisted amplification approaches have provided useful platforms for the telomerase activity detection, however, further improvement in sensitivity is still hindered by the single-step signal amplification. Herein, we develop a quadratic signal amplification strategy for ultrasensitive surface-enhanced Raman scattering (SERS) detection of telomerase activity. The central idea of our design is using telomerase-induced silver nanoparticles (AgNPs) assembly and silver ions (Ag(+))-mediated cascade amplification. In our approach, each telomerase-aided DNA sequence extension could trigger the formation of a long double-stranded DNA (dsDNA), making numerous AgNPs assembling along with this long strand through specific Ag-S bond, to form a primary amplification element. For secondary amplification, each conjugated AgNP was dissolved into Ag(+), which can effectively induce the 4-aminobenzenethiol (4-ABT) modified gold nanoparticles (AuNPs@4-ABT) to undergo aggregation to form numerous "hot-spots". Through quadratic amplifications, a limit of detection down to single HeLa cell was achieved. More importantly, this method demonstrated good performance when applied to tissues from colon cancer patients, which exhibits great potential in the practical application of telomerase-based cancer diagnosis in early stages. To demonstrate the potential in screening the telomerase inhibitors and telomerase-targeted drugs, the proposed design is successfully employed to measure the inhibition of telomerase activity by 3'-azido-3'-deoxythymidine.

  8. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline BeF2, BeCl2, SiO2, and SiS2.

    PubMed

    Zwijnenburg, Martijn A; Corà, Furio; Bell, Robert G

    2008-08-20

    We employ periodic density functional theory calculations to compare the structural chemistry of silicon chalcogenides (silica, silicon sulfide) and anhydrous tetrahedral halides (beryllium fluoride, beryllium chloride). Despite the different formal oxidation states of the elements involved, the divalent halides are known experimentally to form crystal structures similar to known SiX2 frameworks; the rich polymorphic chemistry of SiO2 is however not matched by divalent halides, for which a very limited number of polymorphs are currently known. The calculated energy landscapes yield a quantitative match between the relative polymorphic stability in the SiO2/BeF2 pair, and a semiquantitative match for the SiS2/BeCl2 pair. The experimentally observed polymorphs are found to lie lowest in energy for each composition studied. For the two BeX2 compounds studied, polymorphs not yet synthesized are predicted to lie very low in energy, either slightly above or even in between the energy of the experimentally observed polymorphs. The experimental lack of polymorphism for tetrahedral halide materials thus does not appear to stem from a lack of low-energy polymorphs but more likely is the result of a lack of experimental exploration. Our calculations further indicate that the rich polymorphic chemistry of SiO2 can be potentially matched, if not extended, by BeF2, provided that milder synthetic conditions similar to those employed in zeolite synthesis are developed for BeF2. Finally, our work demonstrates that both classes of materials show the same behavior upon replacement of the 2p anion with the heavier 3p anion from the same group; the thermodynamic preference shifts from structures with large rings to structures with larger fractions of small two and three membered rings.

  9. Stabilization of feedback control and stabilizability optimal solution for nonlinear quadratic problems

    NASA Astrophysics Data System (ADS)

    Popescu, Mihai; Dumitrache, Alexandru

    2011-05-01

    This study refers to minimization of quadratic functionals in infinite time. The coefficients of the quadratic form are quadratic matrix, function of the state variable. Dynamic constraints are represented by bilinear differential systems of the form x˙=A(x)x+B(x)u,x(0)=x0. One selects an adequate factorization of A( x) such that the analyzed system should be controllable. Employing the Hamilton-Jacobi equation it results the matrix algebraic equation of Riccati associated to the optimum problem. The necessary extremum conditions determine the adjoint variables λ and the control variables u as functions of state variable, as well as the adjoint system corresponding to those functions. Thus one obtains a matrix differential equation where the solution representing the positive defined symmetric matrix P( x), verifies the Riccati algebraic equation. The stability analysis for the autonomous systems solution resulting for the determined feedback control is performed using the Liapunov function method. Finally we present certain significant cases.

  10. Theoretical analysis of integral neutron transport equation using collision probability method with quadratic flux approach

    SciTech Connect

    Shafii, Mohammad Ali Meidianti, Rahma Wildian, Fitriyani, Dian; Tongkukut, Seni H. J.; Arkundato, Artoto

    2014-09-30

    Theoretical analysis of integral neutron transport equation using collision probability (CP) method with quadratic flux approach has been carried out. In general, the solution of the neutron transport using the CP method is performed with the flat flux approach. In this research, the CP method is implemented in the cylindrical nuclear fuel cell with the spatial of mesh being conducted into non flat flux approach. It means that the neutron flux at any point in the nuclear fuel cell are considered different each other followed the distribution pattern of quadratic flux. The result is presented here in the form of quadratic flux that is better understanding of the real condition in the cell calculation and as a starting point to be applied in computational calculation.

  11. Detection of code spread OFDM based on 0-1 integer quadratic programming

    NASA Astrophysics Data System (ADS)

    Elghariani, Ali; Zoltowski, Michael D.

    2012-05-01

    In this paper we introduce Integer Quadratic Programming (MIQP) approach to optimally detect QPSK Code Spread OFDM (CS-OFDM) by formulating the problem as a combinatorial optimization problem. The Branch and Bound (BB) algorithm is utilized to solve this integer quadratic programming problem. Furthermore, we propose combined preprocessing steps that can be applied prior to BB so that the computational complexity of the optimum receiver is reduced. The first step in this combination is to detect as much as possible symbols using procedures presented in [9], which is basically based on the gradient of quadratic function. The second step detects the undetected symbols from the first step using MMSE estimator. The result of the latter step will be used to predict the initial upper bound of the BB algorithm. Simulation results show that the proposed preprocessing combination when applied prior to BB provides optimal performance with a significantly reduced computational complexity.

  12. Resurrecting quadratic inflation in no-scale supergravity in light of BICEP2

    SciTech Connect

    Ellis, John; García, Marcos A.G.; Olive, Keith A.; Nanopoulos, Dimitri V. E-mail: garciagarcia@physics.umn.edu E-mail: olive@physics.umn.edu

    2014-05-01

    The magnitude of primordial tensor perturbations reported by the BICEP2 experiment is consistent with simple models of chaotic inflation driven by a single scalar field with a power-law potential ∝ φ{sup n} : n ≅ 2, in contrast to the WMAP and Planck results, which favored models resembling the Starobinsky R+R{sup 2} model if running of the scalar spectral index could be neglected. While models of inflation with a quadratic potential may be constructed in simple N = 1 supergravity, these constructions are more challenging in no-scale supergravity. We discuss here how quadratic inflation can be accommodated within supergravity, focusing primarily on the no-scale case. We also argue that the quadratic inflaton may be identified with the supersymmetric partner of a singlet (right-handed) neutrino, whose subsequent decay could have generated the baryon asymmetry via leptogenesis.

  13. Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral Ni(II)Se4 Coordination Complex.

    PubMed

    Jiang, Shang-Da; Maganas, Dimitrios; Levesanos, Nikolaos; Ferentinos, Eleftherios; Haas, Sabrina; Thirunavukkuarasu, Komalavalli; Krzystek, J; Dressel, Martin; Bogani, Lapo; Neese, Frank; Kyritsis, Panayotis

    2015-10-14

    The high-spin (S = 1) tetrahedral Ni(II) complex [Ni{(i)Pr2P(Se)NP(Se)(i)Pr2}2] was investigated by magnetometry, spectroscopic, and quantum chemical methods. Angle-resolved magnetometry studies revealed the orientation of the magnetization principal axes. The very large zero-field splitting (zfs), D = 45.40(2) cm(-1), E = 1.91(2) cm(-1), of the complex was accurately determined by far-infrared magnetic spectroscopy, directly observing transitions between the spin sublevels of the triplet ground state. These are the largest zfs values ever determined--directly--for a high-spin Ni(II) complex. Ab initio calculations further probed the electronic structure of the system, elucidating the factors controlling the sign and magnitude of D. The latter is dominated by spin-orbit coupling contributions of the Ni ions, whereas the corresponding effects of the Se atoms are remarkably smaller.

  14. Water Adsorption at the Tetrahedral Titania Surface Layer of SrTiO3(110)-(4 × 1)

    PubMed Central

    2013-01-01

    The interaction of water with oxide surfaces is of great interest for both fundamental science and applications. We present a combined theoretical (density functional theory (DFT)) and experimental (scanning tunneling microscopy (STM) and photoemission spectroscopy (PES)) study of water interaction with the two-dimensional titania overlayer that terminates the SrTiO3(110)-(4 × 1) surface and consists of TiO4 tetrahedra. STM and core-level and valence band PES show that H2O neither adsorbs nor dissociates on the stoichiometric surface at room temperature, whereas it does dissociate at oxygen vacancies. This is in agreement with DFT calculations, which show that the energy barriers for water dissociation on the stoichiometric and reduced surfaces are 1.7 and 0.9 eV, respectively. We propose that water weakly adsorbs on two-dimensional, tetrahedrally coordinated overlayers. PMID:24353755

  15. Structure and charge control in metal-organic frameworks based on the tetrahedral ligand tetrakis(4-tetrazolylphenyl)methane.

    PubMed

    Dinca, Mircea; Dailly, Anne; Long, Jeffrey R

    2008-01-01

    Use of the tetrahedral ligand tetrakis(4-tetrazolylphenyl)methane enabled isolation of two three-dimensional metal-organic frameworks featuring 4,6- and 4,8-connected nets related to the structures of garnet and fluorite with the formulae Mn(6)(ttpm)(3)5 DMF3 H(2)O (1) and Cu[(Cu(4)Cl)(ttpm)(2)](2)CuCl(2)5 DMF11 H(2)O (2) (H(4)ttpm=tetrakis(4-tetrazolylphenyl)methane). The fluorite-type solid 2 displays an unprecedented post-synthetic transformation in which the negative charge of the framework is reduced by extraction of copper(II) chloride. Desolvation of this compound generates Cu(4)(ttpm)(2)0.7 CuCl(2) (2 d), a microporous material exhibiting a high surface area and significant hydrogen uptake.

  16. Hierarchically structured meso-macroporous aluminosilicates with high tetrahedral aluminium content in acid catalysed esterification of fatty acids.

    PubMed

    Lemaire, Arnaud; Wang, Quan-Yi; Wei, Yingxu; Liu, Zhongmin; Su, Bao-Lian

    2011-11-15

    A simple synthesis pathway has been developed for the design of hierarchically structured spongy or spherical voids assembled meso-macroporous aluminosilicates with high tetrahedral aluminium content on the basis of the aqueous polymerisation of new stabilized alkoxy-bridged single molecular precursors. The intimate mixing of an aluminosilicate ester (sec-BuO)(2)-Al-O-Si(OEt)(3) and a silica co-reactant (tetramethoxysilane, TMOS) with variable ratios and the use of alkaline solutions (pH 13.0 and 13.5) improve significantly the heterocondensation rates between the highly reactive aluminium alkoxide part of the single precursor and added silica co-reactant, leading to aluminosilicate materials with high intra-framework aluminium content and low Si/Al ratios. The spherically-shaped meso-macroporosity was spontaneously generated by the release of high amount of liquid by-products (water/alcohol molecules) produced during the rapid hydrolysis and condensation processes of this double alkoxide and the TMOS co-reactant. It has been observed that both pH value and Al-Si/TMOS molar ratio can strongly affect the macroporous structure formation. Increasing pH value, even slightly from 13 to 13.5, can significantly favour the incorporation of Al atoms in tetrahedral position of the framework. After the total ionic exchange of Na(+) compensating cations, catalytic tests of obtained materials were realised in the esterification reaction of high free fatty acid (FFA) oils, showing their higher catalytic activity compared to commercial Bentonite clay, and their potential applications as catalyst supports in acid catalysed reactions.

  17. Structural and Thermal Properties of Elementary and Binary Tetrahedral Semiconductor Nanoparticles

    NASA Astrophysics Data System (ADS)

    Omar, M. S.

    2016-01-01

    We report an equation free from fitting parameters as a direct calculation of size-dependent mean bond length for group IV and compounds from the III-V and II-VI binary groups. Size-dependent melting temperature and thermal expansion are also investigated for some materials forming the groups mentioned above. The empirical relation, which is obtained from fitting experimental data of melting enthalpy, is used to recalculate their values as well as entropy. The nanosize dependence of lattice thermal expansion for elements forming group IV is analyzed according to the hard sphere model, while mean ionicity is used for groups III-V and II-VI.

  18. The non-avian theropod quadrate I: standardized terminology with an overview of the anatomy and function

    PubMed Central

    Araújo, Ricardo; Mateus, Octávio

    2015-01-01

    The quadrate of reptiles and most other tetrapods plays an important morphofunctional role by allowing the articulation of the mandible with the cranium. In Theropoda, the morphology of the quadrate is particularly complex and varies importantly among different clades of non-avian theropods, therefore conferring a strong taxonomic potential. Inconsistencies in the notation and terminology used in discussions of the theropod quadrate anatomy have been noticed, including at least one instance when no less than eight different terms were given to the same structure. A standardized list of terms and notations for each quadrate anatomical entity is proposed here, with the goal of facilitating future descriptions of this important cranial bone. In addition, an overview of the literature on quadrate function and pneumaticity in non-avian theropods is presented, along with a discussion of the inferences that could be made from this research. Specifically, the quadrate of the large majority of non-avian theropods is akinetic but the diagonally oriented intercondylar sulcus of the mandibular articulation allowed both rami of the mandible to move laterally when opening the mouth in many of theropods. Pneumaticity of the quadrate is also present in most averostran clades and the pneumatic chamber—invaded by the quadrate diverticulum of the mandibular arch pneumatic system—was connected to one or several pneumatic foramina on the medial, lateral, posterior, anterior or ventral sides of the quadrate. PMID:26401455

  19. Augmented weak forms and element-by-element preconditioners: Efficient iterative strategies for structural finite elements. A preliminary study

    NASA Technical Reports Server (NTRS)

    Muller, A.; Hughes, T. J. R.

    1984-01-01

    A weak formulation in structural analysis that provides well conditioned matrices suitable for iterative solutions is presented. A mixed formulation ensures the proper representation of the problem and the constitutive relations are added in a penalized form. The problem is solved by a double conjugate gradient algorithm combined with an element by element approximate factorization procedure. The double conjugate gradient strategy resembles Uzawa's variable-length type algorithms the main difference is the presence of quadratic terms in the mixed variables. In the case of shear deformable beams these terms ensure that the proper finite thickness solution is obtained.

  20. User's guide for SOL/QPSOL: a Fortran package for quadratic programming

    SciTech Connect

    Gill, P.E.; Murray, W.; Saunders, M.A.; Wright, M.H.

    1983-07-01

    This report forms the user's guide for Version 3.1 of SOL/QPSOL, a set of Fortran subroutines designed to locate the minimum value of an arbitrary quadratic function subject to linear constraints and simple upper and lower bounds. If the quadratic function is convex, a global minimum is found; otherwise, a local minimum is found. The method used is most efficient when many constraints or bounds are active at the solution. QPSOL treats the Hessian and general constraints as dense matrices, and hence is not intended for large sparse problems. This document replaces the previous user's guide of June 1982.

  1. Quadratic formula for determining the drop size in pressure-atomized sprays with and without swirl

    NASA Astrophysics Data System (ADS)

    Lee, T.-W.; An, Keju

    2016-06-01

    We use a theoretical framework based on the integral form of the conservation equations, along with a heuristic model of the viscous dissipation, to find a closed-form solution to the liquid atomization problem. The energy balance for the spray renders to a quadratic formula for the drop size as a function, primarily of the liquid velocity. The Sauter mean diameter found using the quadratic formula shows good agreements and physical trends, when compared with experimental observations. This approach is shown to be applicable toward specifying initial drop size in computational fluid dynamics of spray flows.

  2. Nonadiabatic effects in ultracold molecules via anomalous linear and quadratic Zeeman shifts.

    PubMed

    McGuyer, B H; Osborn, C B; McDonald, M; Reinaudi, G; Skomorowski, W; Moszynski, R; Zelevinsky, T

    2013-12-13

    Anomalously large linear and quadratic Zeeman shifts are measured for weakly bound ultracold 88Sr2 molecules near the intercombination-line asymptote. Nonadiabatic Coriolis coupling and the nature of long-range molecular potentials explain how this effect arises and scales roughly cubically with the size of the molecule. The linear shifts yield nonadiabatic mixing angles of the molecular states. The quadratic shifts are sensitive to nearby opposite f-parity states and exhibit fourth-order corrections, providing a stringent test of a state-of-the-art ab initio model. PMID:24483652

  3. A new one-layer neural network for linear and quadratic programming.

    PubMed

    Gao, Xingbao; Liao, Li-Zhi

    2010-06-01

    In this paper, we present a new neural network for solving linear and quadratic programming problems in real time by introducing some new vectors. The proposed neural network is stable in the sense of Lyapunov and can converge to an exact optimal solution of the original problem when the objective function is convex on the set defined by equality constraints. Compared with existing one-layer neural networks for quadratic programming problems, the proposed neural network has the least neurons and requires weak stability conditions. The validity and transient behavior of the proposed neural network are demonstrated by some simulation results.

  4. Analytical solution of the Klein Gordon equation for a quadratic exponential-type potential

    NASA Astrophysics Data System (ADS)

    Ezzatpour, Somayyeh; Akbarieh, Amin Rezaei

    2016-07-01

    In this research study, analytical solutions of the Klein Gordon equation by considering the potential as a quadratic exponential will be presented. However, the potential is assumed to be within the framework of an approximation for the centrifugal potential in any state. The Nikiforov-Uvarov method is used to calculate the wave function, as well as corresponding exact energy equation, in bound states. We finally concluded that the quadratic exponential-type potential under which the results were deduced, led to outcomes that were comparable to the results obtained from the well-known potentials in some special cases.

  5. Nonadiabatic effects in ultracold molecules via anomalous linear and quadratic Zeeman shifts.

    PubMed

    McGuyer, B H; Osborn, C B; McDonald, M; Reinaudi, G; Skomorowski, W; Moszynski, R; Zelevinsky, T

    2013-12-13

    Anomalously large linear and quadratic Zeeman shifts are measured for weakly bound ultracold 88Sr2 molecules near the intercombination-line asymptote. Nonadiabatic Coriolis coupling and the nature of long-range molecular potentials explain how this effect arises and scales roughly cubically with the size of the molecule. The linear shifts yield nonadiabatic mixing angles of the molecular states. The quadratic shifts are sensitive to nearby opposite f-parity states and exhibit fourth-order corrections, providing a stringent test of a state-of-the-art ab initio model.

  6. OPTIMAL SHRINKAGE ESTIMATION OF MEAN PARAMETERS IN FAMILY OF DISTRIBUTIONS WITH QUADRATIC VARIANCE

    PubMed Central

    Xie, Xianchao; Kou, S. C.; Brown, Lawrence

    2015-01-01

    This paper discusses the simultaneous inference of mean parameters in a family of distributions with quadratic variance function. We first introduce a class of semi-parametric/parametric shrinkage estimators and establish their asymptotic optimality properties. Two specific cases, the location-scale family and the natural exponential family with quadratic variance function, are then studied in detail. We conduct a comprehensive simulation study to compare the performance of the proposed methods with existing shrinkage estimators. We also apply the method to real data and obtain encouraging results. PMID:27041778

  7. Newton equation for canonical, Lie-algebraic, and quadratic deformation of classical space

    SciTech Connect

    Daszkiewicz, Marcin; Walczyk, Cezary J.

    2008-05-15

    The Newton equation describing particle motion in a constant external field force on canonical, Lie-algebraic, and quadratic space-time is investigated. We show that for canonical deformation of space-time the dynamical effects are absent, while in the case of Lie-algebraic noncommutativity, when spatial coordinates commute to the time variable, the additional acceleration of the particle is generated. We also indicate that in the case of spatial coordinates commuting in a Lie-algebraic way, as well as for quadratic deformation, there appear additional velocity and position-dependent forces.

  8. Antimalarial, antimicrobial, cytotoxic, DNA interaction and SOD like activities of tetrahedral copper(II) complexes

    NASA Astrophysics Data System (ADS)

    Mehta, Jugal V.; Gajera, Sanjay B.; Patel, Mohan N.

    2015-02-01

    The mononuclear copper(II) complexes with P, O-donor ligand and different fluoroquinolones have been synthesized and characterized by elemental analysis, electronic spectra, TGA, EPR, FT-IR and LC-MS spectroscopy. An antimicrobial efficiency of the complexes has been tested against five different microorganisms in terms of minimum inhibitory concentration (MIC) and displays very good antimicrobial activity. The binding strength and binding mode of the complexes with Herring Sperm DNA (HS DNA) have been investigated by absorption titration and viscosity measurement studies. The studies suggest the classical intercalative mode of DNA binding. Gel electrophoresis assay determines the ability of the complexes to cleave the supercoiled form of pUC19 DNA. Synthesized complexes have been tested for their SOD mimic activity using nonenzymatic NBT/NADH/PMS system and found to have good antioxidant activity. All the complexes show good cytotoxic and in vitro antimalarial activities.

  9. It's elemental

    NASA Astrophysics Data System (ADS)

    The Periodic Table of the elements will now have to be updated. An international team of researchers has added element 110 to the Earth's armory of elements. Though short-lived—of the order of microseconds, element 110 bottoms out the list as the heaviest known element on the planet. Scientists at the Heavy Ion Research Center in Darmstadt, Germany, made the 110-proton element by colliding a lead isotope with nickel atoms. The element, which is yet to be named, has an atomic mass of 269.

  10. Closed-loop structural stability for linear-quadratic optimal systems

    NASA Technical Reports Server (NTRS)

    Wong, P. K.; Athans, M.

    1975-01-01

    This paper contains an explicit parameterization of a subclass of linear constant gain feedback maps that never destabilize an originally open-loop stable system. These results can then be used to obtain several new structural stability results for multi-input linear-quadratic feedback optimal designs.

  11. Laplace-Gauss and Helmholtz-Gauss paraxial modes in media with quadratic refraction index.

    PubMed

    Kiselev, Aleksei P; Plachenov, Alexandr B

    2016-04-01

    The scalar theory of paraxial wave propagation in an axisymmetric medium where the refraction index quadratically depends on transverse variables is addressed. Exact solutions of the corresponding parabolic equation are presented, generalizing the Laplace-Gauss and Helmholtz-Gauss modes earlier known for homogeneous media. Also, a generalization of a zero-order asymmetric Bessel-Gauss beam is given.

  12. Graphical Description of Johnson-Neyman Outcomes for Linear and Quadratic Regression Surfaces.

    ERIC Educational Resources Information Center

    Schafer, William D.; Wang, Yuh-Yin

    A modification of the usual graphical representation of heterogeneous regressions is described that can aid in interpreting significant regions for linear or quadratic surfaces. The standard Johnson-Neyman graph is a bivariate plot with the criterion variable on the ordinate and the predictor variable on the abscissa. Regression surfaces are drawn…

  13. Variational viewpoint of the quadratic Markov measure field models: theory and algorithms.

    PubMed

    Rivera, Mariano; Dalmau, Oscar

    2012-03-01

    We present a framework for image segmentation based on quadratic programming, i.e., by minimization of a quadratic regularized energy linearly constrained. In particular, we present a new variational derivation of the quadratic Markov measure field (QMMF) models, which can be understood as a procedure for regularizing model preferences (memberships or likelihoods). We also present efficient optimization algorithms. In the QMMFs, the uncertainty in the computed regularized probability measure field is controlled by penalizing Gini's coefficient, and hence, it affects the convexity of the quadratic programming problem. The convex case is reduced to the solution of a positive definite linear system, and for that case, an efficient Gauss-Seidel (GS) scheme is presented. On the other hand, we present an efficient projected GS with subspace minimization for optimizing the nonconvex case. We demonstrate the proposal capabilities by experiments and numerical comparisons with interactive two-class segmentation, as well as the simultaneous estimation of segmentation and (parametric and nonparametric) generative models. We present extensions to the original formulation for including color and texture clues, as well as imprecise user scribbles in an interactive framework.

  14. The wave function and minimum uncertainty function of the bound quadratic Hamiltonian system

    NASA Technical Reports Server (NTRS)

    Yeon, Kyu Hwang; Um, Chung IN; George, T. F.

    1994-01-01

    The bound quadratic Hamiltonian system is analyzed explicitly on the basis of quantum mechanics. We have derived the invariant quantity with an auxiliary equation as the classical equation of motion. With the use of this invariant it can be determined whether or not the system is bound. In bound system we have evaluated the exact eigenfunction and minimum uncertainty function through unitary transformation.

  15. A generalization of Baker's quadratic formulae for hyperelliptic ℘-functions

    NASA Astrophysics Data System (ADS)

    Athorne, Chris

    2011-07-01

    We present a generalization of a compact form, due to Baker, for quadratic identities satisfied by the three-index ℘-functions on curves of genus g=2, and a further generalization of a new result in genus g=3. The compact forms involve a bordered determinant containing 2(g-1)(g+1) free parameters.

  16. A Comparison of Methods for Estimating Quadratic Effects in Nonlinear Structural Equation Models

    ERIC Educational Resources Information Center

    Harring, Jeffrey R.; Weiss, Brandi A.; Hsu, Jui-Chen

    2012-01-01

    Two Monte Carlo simulations were performed to compare methods for estimating and testing hypotheses of quadratic effects in latent variable regression models. The methods considered in the current study were (a) a 2-stage moderated regression approach using latent variable scores, (b) an unconstrained product indicator approach, (c) a latent…

  17. Homogeneous systems with quadratic integrals, Lie-Poisson quasibrackets, and Kovalevskaya's method

    NASA Astrophysics Data System (ADS)

    Bizyaev, I. A.; Kozlov, V. V.

    2015-12-01

    We consider differential equations with quadratic right-hand sides that admit two quadratic first integrals, one of which is a positive-definite quadratic form. We indicate conditions of general nature under which a linear change of variables reduces this system to a certain 'canonical' form. Under these conditions, the system turns out to be divergenceless and can be reduced to a Hamiltonian form, but the corresponding linear Lie-Poisson bracket does not always satisfy the Jacobi identity. In the three-dimensional case, the equations can be reduced to the classical equations of the Euler top, and in four-dimensional space, the system turns out to be superintegrable and coincides with the Euler-Poincaré equations on some Lie algebra. In the five-dimensional case we find a reducing multiplier after multiplying by which the Poisson bracket satisfies the Jacobi identity. In the general case for n>5 we prove the absence of a reducing multiplier. As an example we consider a system of Lotka-Volterra type with quadratic right-hand sides that was studied by Kovalevskaya from the viewpoint of conditions of uniqueness of its solutions as functions of complex time. Bibliography: 38 titles.

  18. Performance and Difficulties of Students in Formulating and Solving Quadratic Equations with One Unknown

    ERIC Educational Resources Information Center

    Didis, Makbule Gozde; Erbas, Ayhan Kursat

    2015-01-01

    This study attempts to investigate the performance of tenth-grade students in solving quadratic equations with one unknown, using symbolic equation and word-problem representations. The participants were 217 tenth-grade students, from three different public high schools. Data was collected through an open-ended questionnaire comprising eight…

  19. Building Students' Understanding of Quadratic Equation Concept Using Naïve Geometry

    ERIC Educational Resources Information Center

    Fachrudin, Achmad Dhany; Putri, Ratu Ilma Indra; Darmawijoyo

    2014-01-01

    The purpose of this research is to know how Naïve Geometry method can support students' understanding about the concept of solving quadratic equations. In this article we will discuss one activities of the four activities we developed. This activity focused on how students linking the Naïve Geometry method with the solving of the quadratic…

  20. Item Pool Construction Using Mixed Integer Quadratic Programming (MIQP). GMAC® Research Report RR-14-01

    ERIC Educational Resources Information Center

    Han, Kyung T.; Rudner, Lawrence M.

    2014-01-01

    This study uses mixed integer quadratic programming (MIQP) to construct multiple highly equivalent item pools simultaneously, and compares the results from mixed integer programming (MIP). Three different MIP/MIQP models were implemented and evaluated using real CAT item pool data with 23 different content areas and a goal of equal information…

  1. Solution to Projectile Motion with Quadratic Drag and Graphing the Trajectory in Spreadsheets

    ERIC Educational Resources Information Center

    Benacka, Jan

    2010-01-01

    This note gives the analytical solution to projectile motion with quadratic drag by decomposing the velocity vector to "x," "y" coordinate directions. The solution is given by definite integrals. First, the impact angle is estimated from above, then the projectile coordinates are computed, and the trajectory is graphed at various launch angles and…

  2. Graphical Representation of Complex Solutions of the Quadratic Equation in the "xy" Plane

    ERIC Educational Resources Information Center

    McDonald, Todd

    2006-01-01

    This paper presents a visual representation of complex solutions of quadratic equations in the xy plane. Rather than moving to the complex plane, students are able to experience a geometric interpretation of the solutions in the xy plane. I am also working on these types of representations with higher order polynomials with some success.

  3. Horizontal Distance Travelled by a Mobile Experiencing a Quadratic Drag Force: Normalized Distance and Parametrization

    ERIC Educational Resources Information Center

    Vial, Alexandre

    2007-01-01

    We investigate the problem of the horizontal distance travelled by a mobile experiencing a quadratic drag force. We show that by introducing a normalized distance, the problem can be greatly simplified. In order to parametrize this distance, we use the Pearson VII function, and we find that the optimal launch angle as a function of the initial…

  4. Advanced Nonlinear Latent Variable Modeling: Distribution Analytic LMS and QML Estimators of Interaction and Quadratic Effects

    ERIC Educational Resources Information Center

    Kelava, Augustin; Werner, Christina S.; Schermelleh-Engel, Karin; Moosbrugger, Helfried; Zapf, Dieter; Ma, Yue; Cham, Heining; Aiken, Leona S.; West, Stephen G.

    2011-01-01

    Interaction and quadratic effects in latent variable models have to date only rarely been tested in practice. Traditional product indicator approaches need to create product indicators (e.g., x[superscript 2] [subscript 1], x[subscript 1]x[subscript 4]) to serve as indicators of each nonlinear latent construct. These approaches require the use of…

  5. Optical synthetic-aperture radar processor archietecture with quadratic phase-error correction

    SciTech Connect

    Dickey, F.M.; Mason, J.J. )

    1990-10-15

    Uncompensated phase errors limit the image quality of synthetic-aperture radar. We present an acousto-optic synthetic-aperture radar processor architecture capable of measuring the quadratic phase error. This architecture allows for the error signal to be fed back to the processor to generate the corrected image.

  6. Development of C++ Application Program for Solving Quadratic Equation in Elementary School in Nigeria

    ERIC Educational Resources Information Center

    Bandele, Samuel Oye; Adekunle, Adeyemi Suraju

    2015-01-01

    The study was conducted to design, develop and test a c++ application program CAP-QUAD for solving quadratic equation in elementary school in Nigeria. The package was developed in c++ using object-oriented programming language, other computer program that were also utilized during the development process is DevC++ compiler, it was used for…

  7. Optical synthetic-aperture radar processor architecture with quadratic phase-error correction.

    PubMed

    Dickey, F M; Mason, J J

    1990-10-15

    Uncompensated phase errors limit the image quality of synthetic-aperture radar. We present an acousto-optic synthetic-aperture radar processor architecture capable of measuring the quadratic phase error. This architecture allows for the error signal to be fed back to the processor to generate the corrected image.

  8. A tutorial on the LQG/LTR method. [Linear Quadratic Gaussian/Loop Transfer Recovery

    NASA Technical Reports Server (NTRS)

    Athans, M.

    1986-01-01

    In this paper the so-called Linear-Quadratic-Gaussian method with Loop-Transfer-Recovery is surveyed. The objective is to provide a pragmatic exposition, with special emphasis on the step-by-step characteristics for designing multivariable feedback control systems.

  9. Failures and Inabilities of High School Students about Quadratic Equations and Functions

    ERIC Educational Resources Information Center

    Memnun, Dilek Sezgin; Aydin, Bünyamin; Dinç, Emre; Çoban, Merve; Sevindik, Fatma

    2015-01-01

    In this research study, it was aimed to examine failures and inabilities of eleventh grade students about quadratic equations and functions. For this purpose, these students were asked ten open-ended questions. The analysis of the answers given by the students to these questions indicated that a significant part of these students had failures and…

  10. Mapped quadrats in sagebrush steppe: long-term data for analyzing demographic rates and plant-plant interactions.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This historical dataset consists of a series of permanent 1-m2 quadrats located on the sagebrush steppe in eastern Idaho, USA. The key aspect of the data is that during each growing season, all individual plants in each quadrat were identified and mapped. The combination of a long time-series with f...

  11. Tuning the tetrahedrality of the hydrogen-bonded network of water: Comparison of the effects of pressure and added salts

    NASA Astrophysics Data System (ADS)

    Prasad, Saurav; Chakravarty, Charusita

    2016-06-01

    Experiments and simulations demonstrate some intriguing equivalences in the effect of pressure and electrolytes on the hydrogen-bonded network of water. Here, we examine the extent and nature of equivalence effects between pressure and salt concentration using relationships between structure, entropy, and transport properties based on two key ideas: first, the approximation of the excess entropy of the fluid by the contribution due to the atom-atom pair correlation functions and second, Rosenfeld-type excess entropy scaling relations for transport properties. We perform molecular dynamics simulations of LiCl-H2O and bulk SPC/E water spanning the concentration range 0.025-0.300 molefraction of LiCl at 1 atm and pressure range from 0 to 7 GPa, respectively. The temperature range considered was from 225 to 350 K for both the systems. To establish that the time-temperature-transformation behaviour of electrolyte solutions and water is equivalent, we use the additional observation based on our simulations that the pair entropy behaves as a near-linear function of pressure in bulk water and of composition in LiCl-H2O. This allows for the alignment of pair entropy isotherms and allows for a simple mapping of pressure onto composition. Rosenfeld-scaling implies that pair entropy is semiquantitatively related to the transport properties. At a given temperature, equivalent state points in bulk H2O and LiCl-H2O (at 1 atm) are defined as those for which the pair entropy, diffusivity, and viscosity are nearly identical. The microscopic basis for this equivalence lies in the ability of both pressure and ions to convert the liquid phase into a pair-dominated fluid, as demonstrated by the O-O-O angular distribution within the first coordination shell of a water molecule. There are, however, sharp differences in local order and mechanisms for the breakdown of tetrahedral order by pressure and electrolytes. Increasing pressure increases orientational disorder within the first

  12. Tuning the tetrahedrality of the hydrogen-bonded network of water: Comparison of the effects of pressure and added salts.

    PubMed

    Prasad, Saurav; Chakravarty, Charusita

    2016-06-21

    Experiments and simulations demonstrate some intriguing equivalences in the effect of pressure and electrolytes on the hydrogen-bonded network of water. Here, we examine the extent and nature of equivalence effects between pressure and salt concentration using relationships between structure, entropy, and transport properties based on two key ideas: first, the approximation of the excess entropy of the fluid by the contribution due to the atom-atom pair correlation functions and second, Rosenfeld-type excess entropy scaling relations for transport properties. We perform molecular dynamics simulations of LiCl-H2O and bulk SPC/E water spanning the concentration range 0.025-0.300 molefraction of LiCl at 1 atm and pressure range from 0 to 7 GPa, respectively. The temperature range considered was from 225 to 350 K for both the systems. To establish that the time-temperature-transformation behaviour of electrolyte solutions and water is equivalent, we use the additional observation based on our simulations that the pair entropy behaves as a near-linear function of pressure in bulk water and of composition in LiCl-H2O. This allows for the alignment of pair entropy isotherms and allows for a simple mapping of pressure onto composition. Rosenfeld-scaling implies that pair entropy is semiquantitatively related to the transport properties. At a given temperature, equivalent state points in bulk H2O and LiCl-H2O (at 1 atm) are defined as those for which the pair entropy, diffusivity, and viscosity are nearly identical. The microscopic basis for this equivalence lies in the ability of both pressure and ions to convert the liquid phase into a pair-dominated fluid, as demonstrated by the O-O-O angular distribution within the first coordination shell of a water molecule. There are, however, sharp differences in local order and mechanisms for the breakdown of tetrahedral order by pressure and electrolytes. Increasing pressure increases orientational disorder within the first

  13. Toward Verification of USM3D Extensions for Mixed Element Grids

    NASA Technical Reports Server (NTRS)

    Pandya, Mohagna J.; Frink, Neal T.; Ding, Ejiang; Parlette, Edward B.

    2013-01-01

    The unstructured tetrahedral grid cell-centered finite volume flow solver USM3D has been recently extended to handle mixed element grids composed of hexahedral, prismatic, pyramidal, and tetrahedral cells. Presently, two turbulence models, namely, baseline Spalart-Allmaras (SA) and Menter Shear Stress Transport (SST), support mixed element grids. This paper provides an overview of the various numerical discretization options available in the newly enhanced USM3D. Using the SA model, the flow solver extensions are verified on three two-dimensional test cases available on the Turbulence Modeling Resource website at the NASA Langley Research Center. The test cases are zero pressure gradient flat plate, planar shear, and bump-inchannel. The effect of cell topologies on the flow solution is also investigated using the planar shear case. Finally, the assessment of various cell and face gradient options is performed on the zero pressure gradient flat plate case.

  14. High-order Finite Element Analysis of Boundary Layer Flows

    NASA Astrophysics Data System (ADS)

    Zhang, Alvin; Sahni, Onkar

    2014-11-01

    Numerical analysis of boundary layer flows requires careful approximations, specifically the use of a mesh with layered and graded elements near the (viscous) walls. This is referred to as a boundary layer mesh, which for complex geometries is composed of triangular elements on the walls that are inflated or extruded into the volume along the wall-normal direction up to a desired height while the rest of the domain is filled with unstructured tetrahedral elements. Linear elements with C0 inter-element continuity are employed and in some situations higher order C0 elements are also used. However, these elements only enforce continuity whereas high-order smoothness is not attained as will be the case with C1 inter-element continuity and higher. As a result, C0 elements result in a poor approximation of the high-order boundary layer behavior. To achieve greater inter-element continuity in boundary layer region, we employ B-spline basis functions along the wall-normal direction (i.e., only in the layered portion of the mesh). In the rest of the fully unstructured mesh, linear or higher order C0 elements are used as appropriate. In this study we demonstrate the benefits of finite-element analysis based on such higher order and continuity basis functions for boundary layer flows.

  15. Elemental ZOO

    NASA Astrophysics Data System (ADS)

    Helser, Terry L.

    2003-04-01

    This puzzle uses the symbols of 39 elements to spell the names of 25 animals found in zoos. Underlined spaces and the names of the elements serve as clues. To solve the puzzle, students must find the symbols that correspond to the elemental names and rearrange them into the animals' names.

  16. Band edge and phonon-assisted deep level emissions in the ordered filled tetrahedral semiconductor LiMgP

    NASA Astrophysics Data System (ADS)

    Kuriyama, K.; Kushida, K.

    2000-03-01

    Band edge and phonon-assisted deep level emissions in the ordered filled tetrahedral semiconductor LiMgP (space group: F4¯3m, direct band gap: 2.43 eV at room temperature), viewed as a zincblende-like (MgP)- lattice partially filled with He-like Li+ interstitials, have been studied using a photoluminescence (PL) method. Two band edge emissions A and B, consisting of two PL peaks, were observed at around 489 nm at 15 K. Emissions A and B were associated with a free carrier recombination (2.535 eV) and a donor-to-valence band transition (2.532 eV), respectively. From the temperature dependence of the band edge emission and optical absorption data, the temperature variation of the band gap was approximated by the empirical formula Eg(eV)=2.536-1.43×10-3T2/(T+912) (T in K). A broad emission involving at least three phonon lines was observed at around 625 nm with full width at half maximum of ˜150 meV, showing a large Franck-Condon shift. The main phonon lines in the broad PL emission were associated with two combinations of longitudinal-optical phonons relating to Li-P and Mg-P pairs.

  17. Effect of tetrahedral amorphous carbon coating on the resistivity and wear of single-walled carbon nanotube network

    NASA Astrophysics Data System (ADS)

    Iyer, Ajai; Kaskela, Antti; Novikov, Serguei; Etula, Jarkko; Liu, Xuwen; Kauppinen, Esko I.; Koskinen, Jari

    2016-05-01

    Single walled carbon nanotube networks (SWCNTNs) were coated by tetrahedral amorphous carbon (ta-C) to improve the mechanical wear properties of the composite film. The ta-C deposition was performed by using pulsed filtered cathodic vacuum arc method resulting in the generation of C+ ions in the energy range of 40-60 eV which coalesce to form a ta-C film. The primary disadvantage of this process is a significant increase in the electrical resistance of the SWCNTN post coating. The increase in the SWCNTN resistance is attributed primarily to the intrinsic stress of the ta-C coating which affects the inter-bundle junction resistance between the SWCNTN bundles. E-beam evaporated carbon was deposited on the SWCNTNs prior to the ta-C deposition in order to protect the SWCNTN from the intrinsic stress of the ta-C film. The causes of changes in electrical resistance and the effect of evaporated carbon thickness on the changes in electrical resistance and mechanical wear properties have been studied.

  18. Zintl-phase compounds with SnSb4 tetrahedral anions. Electronic structure and thermoelectric properties

    SciTech Connect

    Zhang, Lijun; Du, Mao-Hua; Singh, David J.

    2010-02-22

    We report the investigation of Zintl-phase Na(K){sub 8}SnSb{sub 4} and related compounds that contain SnSb{sub 4} tetrahedral anions using first principles electronic structure, Boltzmann transport, and density functional phonon calculations. We find that these compounds are narrow-gap semiconductors and there is a combination of heavy and light bands at valence band edge, which may lead to a combination of high thermopower and reasonable conductivity. High values of the thermopower are found for p-type doping within the Boltzmann transport theory. Furthermore, these materials are expected to have low thermal conductivity due to their structures that consist of a network of weakly coupled SnSb{sub 4} clusters, which leads to low phonon frequencies. In particular, we find low-frequency optical phonons that should effectively scatter the heat-carrying acoustic phonons. These results are discussed in terms of the structure, which consists of anionic clusters. Based on the results, it is suggested that such compounds may represent a useful paradigm for finding new thermoelectric materials.

  19. Final Report - High-Order Spectral Volume Method for the Navier-Stokes Equations On Unstructured Tetrahedral Grids

    SciTech Connect

    Wang, Z J

    2012-12-06

    The overriding objective for this project is to develop an efficient and accurate method for capturing strong discontinuities and fine smooth flow structures of disparate length scales with unstructured grids, and demonstrate its potentials for problems relevant to DOE. More specifically, we plan to achieve the following objectives: 1. Extend the SV method to three dimensions, and develop a fourth-order accurate SV scheme for tetrahedral grids. Optimize the SV partition by minimizing a form of the Lebesgue constant. Verify the order of accuracy using the scalar conservation laws with an analytical solution; 2. Extend the SV method to Navier-Stokes equations for the simulation of viscous flow problems. Two promising approaches to compute the viscous fluxes will be tested and analyzed; 3. Parallelize the 3D viscous SV flow solver using domain decomposition and message passing. Optimize the cache performance of the flow solver by designing data structures minimizing data access times; 4. Demonstrate the SV method with a wide range of flow problems including both discontinuities and complex smooth structures. The objectives remain the same as those outlines in the original proposal. We anticipate no technical obstacles in meeting these objectives.

  20. Binding of Trivalent Arsenic onto the Tetrahedral Au20 and Au19Pt Clusters: Implications in Adsorption and Sensing.

    PubMed

    Cortés-Arriagada, Diego; Oyarzún, María Paz; Sanhueza, Luis; Toro-Labbé, Alejandro

    2015-07-01

    The interaction of arsenic(III) onto the tetrahedral Au20 cluster was studied computationally to get insights into the interaction of arsenic traces (presented in polluted waters) onto embedded electrodes with gold nanostructures. Pollutant interactions onto the vertex, edge, or inner gold atoms of Au20 were observed to have a covalent character by forming metal-arsenic or metal-oxygen bonding, with adsorption energies ranging from 0.5 to 0.8 eV, even with a stable physisorption; however, in aqueous media, the Au-vertex-pollutant interaction was found to be disadvantageous. The substituent effect of a platinum atom onto the Au20 cluster was evaluated to get insights into the changes in the adsorption and electronic properties of the adsorbent-adsorbate systems due to chemical doping. It was found that the dopant atom increases both the metal-pollutant adsorption energy and stability onto the support in a water media for all interaction modes; adsorption energies were found to be in a range of 0.6 to 1.8 eV. All interactions were determined to be accompanied by electron transfer as well as changes in the local reactivity that determine the amount of transferred charge and a decrease in the HOMO-LUMO energy gap with respect to the isolated substrate.

  1. Tetrahedral tilting and ferroelectricity in Bi2AO5 (A=Si, Ge) from first principles calculations

    NASA Astrophysics Data System (ADS)

    Park, Janghee; Kim, Bog G.; Mori, Shigeo; Oguchi, Tamio

    2016-03-01

    The properties of a tetrahedron containing Bi2AO5 (A=Si, Ge) are examined using Ab initio calculations and symmetry mode analysis. Stabilization of the polar phase is observed in both compounds with a monoclinic Cc phase. In the monoclinic ground state, the tilting angle (ϕ1) of tetrahedron is 7.21° and 21.94° for the Si and Ge compound, respectively. The relationship between a primary order parameter and the tetrahedral tilting is identified and an analytical formula between them is proposed by analyzing the structure. The detailed layer-by-layer polarization calculations shows that the main polarization component originates from the tetrahedron tilting of the AO4 unit, and the analytical relationship between the primary order parameter and spontaneous polarization is also calculated. This B3LYP hybrid functional calculation provides a band gap of 4.44 eV and 4.18 eV for Bi2SiO5 and Bi2GeO5, respectively. The main difference between the two compounds is also analyzed based on the electronic structure and electron localization function analysis.

  2. Binding of Trivalent Arsenic onto the Tetrahedral Au20 and Au19Pt Clusters: Implications in Adsorption and Sensing.

    PubMed

    Cortés-Arriagada, Diego; Oyarzún, María Paz; Sanhueza, Luis; Toro-Labbé, Alejandro

    2015-07-01

    The interaction of arsenic(III) onto the tetrahedral Au20 cluster was studied computationally to get insights into the interaction of arsenic traces (presented in polluted waters) onto embedded electrodes with gold nanostructures. Pollutant interactions onto the vertex, edge, or inner gold atoms of Au20 were observed to have a covalent character by forming metal-arsenic or metal-oxygen bonding, with adsorption energies ranging from 0.5 to 0.8 eV, even with a stable physisorption; however, in aqueous media, the Au-vertex-pollutant interaction was found to be disadvantageous. The substituent effect of a platinum atom onto the Au20 cluster was evaluated to get insights into the changes in the adsorption and electronic properties of the adsorbent-adsorbate systems due to chemical doping. It was found that the dopant atom increases both the metal-pollutant adsorption energy and stability onto the support in a water media for all interaction modes; adsorption energies were found to be in a range of 0.6 to 1.8 eV. All interactions were determined to be accompanied by electron transfer as well as changes in the local reactivity that determine the amount of transferred charge and a decrease in the HOMO-LUMO energy gap with respect to the isolated substrate. PMID:26061641

  3. Effects of tetrahedral Fe2+ on the structural, magnetic and electronic properties of solution-based titanomagnetite thin films

    NASA Astrophysics Data System (ADS)

    Kim, Kwang Joo; Koh, Tae Young; Kim, Chul Sung; Lee, Young Bae

    2014-01-01

    Polycrystalline titanomagnetite (Ti x Fe3- x O4) thin films prepared by using a sol-gel process exhibited a phase-pure spinel structure for Ti compositions up to x = 0.6. An X-ray photoelectron spectroscopy (XPS) investigation disclosed an increase of the Fe2+ concentration with increasing x, indicating a reduction in ionic valence, Fe3+ → Fe2+, induced by Ti4+ occupation of the cationic sublattice. Analyses on XPS and X-ray diffraction spectra of the Ti x Fe3- x O4 samples suggest that the Fe2+ ions prefer the tetrahedral sites while the Ti4+ ions prefer the octahedral sites of the sublattice. Magnetic hysteresis measurements on the Ti x Fe3- x O4 films revealed significant loss of the saturation magnetization (M s ) with increasing x: M s is reduced to 50% that of Fe3O4 for x = 0.10 and to 10% for x = 0.60. The big loss of M s caused by small Ti doping suggests a significant disruption of the inter-site Fe3+-Fe3+ super-exchange interaction in thin-film titanomagnetites.

  4. Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe1 -xSex

    NASA Astrophysics Data System (ADS)

    Xu, Zhijun; Schneeloch, J. A.; Wen, Jinsheng; Božin, E. S.; Granroth, G. E.; Winn, B. L.; Feygenson, M.; Birgeneau, R. J.; Gu, Genda; Zaliznyak, I. A.; Tranquada, J. M.; Xu, Guangyong

    2016-03-01

    It has recently been demonstrated that dynamical magnetic correlations measured by neutron scattering in iron chalcogenides can be described with models of short-range correlations characterized by particular choices of four-spin plaquettes, where the appropriate choice changes as the parent material is doped towards superconductivity. Here we apply such models to describe measured maps of magnetic scattering as a function of two-dimensional wave vectors obtained for optimally superconducting crystals of FeTe1 -xSex . We show that the characteristic antiferromagnetic wave vector evolves from that of the bicollinear structure found in underdoped chalcogenides (at high temperature) to that associated with the stripe structure of antiferromagnetic iron arsenides (at low temperature); these can both be described with the same local plaquette, but with different interplaquette correlations. While the magnitude of the low-energy magnetic spectral weight is substantial at all temperatures, it actually weakens somewhat at low temperature, where the charge carriers become more itinerant. The observed change in spin correlations is correlated with the dramatic drop in the electronic scattering rate and the growth of the bulk nematic response upon cooling. Finally, we also present powder neutron diffraction results for lattice parameters in FeTe1 -xSex indicating that the tetrahedral bond angle tends to increase towards the ideal value upon cooling, in agreement with the increased screening of the crystal field by more itinerant electrons and the correspondingly smaller splitting of the Fe 3 d orbitals.

  5. One-pot, water-based and high-yield synthesis of tetrahedral palladium nanocrystal decorated graphene.

    PubMed

    Fu, Gengtao; Tao, Lin; Zhang, Min; Chen, Yu; Tang, Yawen; Lin, Jun; Lu, Tianhong

    2013-09-01

    This paper reports a facile, water-based and one-pot synthesis of tetrahedral Pd nanocrystals (Pd-TNPs) with high yield and good size monodispersity supported on reduced graphene oxide (RGO) nanosheets via a co-chemical reduction method. The key synthetic strategy employed a positively charged polyallylamine-Pd(II) complex (PAH-Pd(II)) with un-coordinated amine groups as a linker molecule to immobilize Pd(II) species on the negatively charged graphene oxide (GO) surface through electrostatic interaction. As characterized by transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), Raman spectroscopy, thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) techniques, well-defined Pd-TNPs with an average size of 9 nm were uniformly distributed on the RGO surface. The as-prepared Pd-TNPs/RGO nanohybrid with excellent colloidal stability in aqueous solution exhibits superior catalytic activity towards the degradation of methylene blue (MB) compared to both unsupported Pd-TNPs and Pd black. Thus, the resultant Pd-TNPs/RGO nanohybrid, as a promising heterogeneous catalyst, might have wide potential applications in water-based catalysis systems for the future. PMID:23864026

  6. Elastic Model Transitions: a Hybrid Approach Utilizing Quadratic Inequality Constrained Least Squares (LSQI) and Direct Shape Mapping (DSM)

    NASA Technical Reports Server (NTRS)

    Jurenko, Robert J.; Bush, T. Jason; Ottander, John A.

    2014-01-01

    A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes both quadratically constrained least squares (LSQI) and Direct Shape Mapping (DSM) algorithms to determine physical displacements. This approach is applicable to the simulation of the elastic behavior of launch vehicles and other structures that utilize multiple LTI finite element model (FEM) derived mode sets that are propagated throughout time. The time invariant nature of the elastic data for discrete segments of the launch vehicle trajectory presents a problem of how to properly transition between models while preserving motion across the transition. In addition, energy may vary between flex models when using a truncated mode set. The LSQI-DSM algorithm can accommodate significant changes in energy between FEM models and carries elastic motion across FEM model transitions. Compared with previous approaches, the LSQI-DSM algorithm shows improvements ranging from a significant reduction to a complete removal of transients across FEM model transitions as well as maintaining elastic motion from the prior state.

  7. A Comparison of Methods for Estimating Quadratic Effects in Nonlinear Structural Equation Models

    PubMed Central

    Harring, Jeffrey R.; Weiss, Brandi A.; Hsu, Jui-Chen

    2012-01-01

    Two Monte Carlo simulations were performed to compare methods for estimating and testing hypotheses of quadratic effects in latent variable regression models. The methods considered in the current study were (a) a 2-stage moderated regression approach using latent variable scores, (b) an unconstrained product indicator approach, (c) a latent moderated structural equation method, (d) a fully Bayesian approach, and (e) marginal maximum likelihood estimation. Of the 5 estimation methods, it was found that overall the methods based on maximum likelihood estimation and the Bayesian approach performed best in terms of bias, root-mean-square error, standard error ratios, power, and Type I error control, although key differences were observed. Similarities as well as disparities among methods are highlight and general recommendations articulated. As a point of comparison, all 5 approaches were fit to a reparameterized version of the latent quadratic model to educational reading data. PMID:22429193

  8. Multivariable design of improved linear quadratic regulation control for MIMO industrial processes.

    PubMed

    Zhang, Ridong; Lu, Renquan; Jin, Qibing

    2015-07-01

    In this study, a multivariable linear quadratic control system using a new state space structure was developed for the chamber pressure in the industrial coke furnace. Such processes typically have complex and nonlinear dynamic behavior, which causes the performance of controllers using conventional design and tuning to be poor or to require significant effort in practice. The process model is first treated into a new state space form and the implementation of linear quadratic control is designed using this new model structure. Performance in terms of regulatory/servo, disturbance rejection and measurement noise problems were all compared with the recent model predictive control strategy. Results revealed that the control system showed more robustness and improved the closed-loop process performance under model/process mismatches.

  9. An empirical analysis of the quantitative effect of data when fitting quadratic and cubic polynomials

    NASA Technical Reports Server (NTRS)

    Canavos, G. C.

    1974-01-01

    A study is made of the extent to which the size of the sample affects the accuracy of a quadratic or a cubic polynomial approximation of an experimentally observed quantity, and the trend with regard to improvement in the accuracy of the approximation as a function of sample size is established. The task is made possible through a simulated analysis carried out by the Monte Carlo method in which data are simulated by using several transcendental or algebraic functions as models. Contaminated data of varying amounts are fitted to either quadratic or cubic polynomials, and the behavior of the mean-squared error of the residual variance is determined as a function of sample size. Results indicate that the effect of the size of the sample is significant only for relatively small sizes and diminishes drastically for moderate and large amounts of experimental data.

  10. Exact evaluation of the quadratic longitudinal response function for an unmagnetized Maxwellian plasma

    SciTech Connect

    Layden, B.; Cairns, Iver H.; Robinson, P. A.; Percival, D. J.

    2012-07-15

    The quadratic longitudinal response function describes the second-order nonlinear response of a plasma to electrostatic wave fields. An explicit expression for this function in the weak-turbulence regime requires the evaluation of velocity-space integrals involving the velocity distribution function and various resonant denominators. Previous calculations of the quadratic longitudinal response function were performed by approximating the resonant denominators to facilitate the integration. Here, we evaluate these integrals exactly for a non-relativistic collisionless unmagnetized isotropic Maxwellian plasma in terms of generalized plasma dispersion functions, and correct certain aspects of expressions previously derived for these functions. We show that in the appropriate limits the exact expression reduces to the approximate form used for interactions between two fast waves and one slow wave, such as the electrostatic decay of Langmuir waves into Langmuir waves and ion sound waves, and the scattering of Langmuir waves off thermal ions.

  11. Learning control for minimizing a quadratic cost during repetitions of a task

    NASA Technical Reports Server (NTRS)

    Longman, Richard W.; Chang, Chi-Kuang

    1990-01-01

    In many applications, control systems are asked to perform the same task repeatedly. Learning control laws have been developed over the last few years that allow the controller to improve its performance each repetition, and to converge to zero error in tracking a desired trajectory. This paper generates a new type of learning control law that learns to minimize a quadratic cost function for tracking. Besides being of interest in its own right, this objective alleviates the need to specify a desired trajectory that can actually be performed by the system. The approach used here is to adapt appropriate methods from numerical optimization theory in order to produce learning control algorithms that adjust the system command from repetition to repetition in order to converge to the quadratic cost optimal trajectory.

  12. Error analysis of the quadratic nodal expansion method in slab geometry

    SciTech Connect

    Penland, R.C.; Turinsky, P.J.; Azmy, Y.Y.

    1994-10-01

    As part of an effort to develop an adaptive mesh refinement strategy for use in state-of-the-art nodal diffusion codes, the authors derive error bounds on the solution variables of the quadratic Nodal Expansion Method (NEM) in slab geometry. Closure of the system is obtained through flux discontinuity relationships and boundary conditions. In order to verify the analysis presented, the authors compare the quadratic NEM to the analytic solution of a test problem. The test problem for this investigation is a one-dimensional slab [0,20cm] with L{sup 2} = 6.495cm{sup 2} and D = 0.1429cm. The slab has a unit neutron source distributed uniformly throughout and zero flux boundary conditions. The analytic solution to this problem is used to compute the node-average fluxes over a variety of meshes, and these are used to compute the NEM maximum error on each mesh.

  13. Quadratic Herman-Wallis factors in the fundamental bands of linear molecules

    NASA Astrophysics Data System (ADS)

    Watson, James K. G.

    1987-10-01

    General theoretical formulas are derived for the coefficients in the terms M˜12 and M˜13 of the effective molecular dipole moment operator, and applied to the parallel and perpendicular fundamentals of linear molecules. The Herman-Wallis factors for P- and R-branch lines are F PR = [1 + A 1m + A 2PRm 2] 2, m = δ J( J' + J″ + 1)/2 and for Q-branch lines F Q = [1 + A 2QJ ( J + 1)] 2 The quadratic coefficients A2PR and A2Q depend on up to cubic potential derivatives and quadratic dipole derivatives. Calculated A2PR and A2Q values for the fundamentals of CO 2 do not agree well with recent measurements of Johns, and possible reasons for the discrepancies are discussed.

  14. The application of quadratic optimal cooperative control synthesis to a CH-47 helicopter

    NASA Technical Reports Server (NTRS)

    Townsend, Barbara K.

    1986-01-01

    A control-system design method, Quadratic Optimal Cooperative Control Synthesis (CCS), is applied to the design of a Stability and Control Augmentation Systems (SCAS). The CCS design method is different from other design methods in that it does not require detailed a priori design criteria, but instead relies on an explicit optimal pilot-model to create desired performance. The design model, which was developed previously for fixed-wing aircraft, is simplified and modified for application to a Boeing Vertol CH-47 helicopter. Two SCAS designs are developed using the CCS design methodology. The resulting CCS designs are then compared with designs obtained using classical/frequency-domain methods and Linear Quadratic Regulator (LQR) theory in a piloted fixed-base simulation. Results indicate that the CCS method, with slight modifications, can be used to produce controller designs which compare favorably with the frequency-domain approach.

  15. Steering of Frequency Standards by the Use of Linear Quadratic Gaussian Control Theory

    NASA Technical Reports Server (NTRS)

    Koppang, Paul; Leland, Robert

    1996-01-01

    Linear quadratic Gaussian control is a technique that uses Kalman filtering to estimate a state vector used for input into a control calculation. A control correction is calculated by minimizing a quadratic cost function that is dependent on both the state vector and the control amount. Different penalties, chosen by the designer, are assessed by the controller as the state vector and control amount vary from given optimal values. With this feature controllers can be designed to force the phase and frequency differences between two standards to zero either more or less aggressively depending on the application. Data will be used to show how using different parameters in the cost function analysis affects the steering and the stability of the frequency standards.

  16. Determination of Elemental Ratio in an Atomic Column by Electron Energy Loss Spectroscopy.

    PubMed

    Haruta, Mitsutaka; Hosaka, Yoshiteru; Ichikawa, Noriya; Saito, Takashi; Shimakawa, Yuichi; Kurata, Hiroki

    2016-07-26

    Atomic-resolution quantification of the elemental ratio of Fe to Mn at the octahedral and tetrahedral sites in brownmillerite Ca2Fe1.07Mn0.93O5 was determined using electron energy-loss spectroscopy combined with aberration-corrected scanning transmission electron microscopy. The combined techniques revealed that oversampling of the spectral imaging data yielded a spatially resolved area that very nearly reflects atomic resolution (∼1.2 Å radius). The average experimental ratios of Fe to Mn within this region were 17.5:82.5 for the octahedral sites and 81.6:18.4 for the tetrahedral sites. The elemental ratio in an octahedral atomic column was successfully extracted by estimating the mixing of signals from nearest neighbor columns. The results indicated that the ratio of Fe to Mn was 13:87 at the octahedral site, which is in good agreement with the results of neutron diffraction analysis. In addition, the uncertainty of experimental results obtained by using an average 1.2 Å radius was less than 10% at octahedral sites, depending on the sample thickness. In contrast, the experimental error due to dechanneling of incident electrons was larger at the tetrahedral sites. This experimental procedure has wide application for determining the spatially resolved composition ratio of elements in perovskite-like compounds. PMID:27341006

  17. Determination of Elemental Ratio in an Atomic Column by Electron Energy Loss Spectroscopy.

    PubMed

    Haruta, Mitsutaka; Hosaka, Yoshiteru; Ichikawa, Noriya; Saito, Takashi; Shimakawa, Yuichi; Kurata, Hiroki

    2016-07-26

    Atomic-resolution quantification of the elemental ratio of Fe to Mn at the octahedral and tetrahedral sites in brownmillerite Ca2Fe1.07Mn0.93O5 was determined using electron energy-loss spectroscopy combined with aberration-corrected scanning transmission electron microscopy. The combined techniques revealed that oversampling of the spectral imaging data yielded a spatially resolved area that very nearly reflects atomic resolution (∼1.2 Å radius). The average experimental ratios of Fe to Mn within this region were 17.5:82.5 for the octahedral sites and 81.6:18.4 for the tetrahedral sites. The elemental ratio in an octahedral atomic column was successfully extracted by estimating the mixing of signals from nearest neighbor columns. The results indicated that the ratio of Fe to Mn was 13:87 at the octahedral site, which is in good agreement with the results of neutron diffraction analysis. In addition, the uncertainty of experimental results obtained by using an average 1.2 Å radius was less than 10% at octahedral sites, depending on the sample thickness. In contrast, the experimental error due to dechanneling of incident electrons was larger at the tetrahedral sites. This experimental procedure has wide application for determining the spatially resolved composition ratio of elements in perovskite-like compounds.

  18. The relationship between the formation of clusters containing tetrahedral molecules and the dynamic and thermodynamic anomalies of cooled TIP4P/2005 water

    NASA Astrophysics Data System (ADS)

    Van Sang, Le

    2016-07-01

    Molecular dynamics simulations have been used to cool the simple liquid TPI4P/2005 water at 350 K to 100 K. We find that structural changes of the system cause dynamic and thermodynamic anomalies. A strong increase in the number of tetrahedral oxygen atoms and combinations of these atoms lead to water's a phase transition from a simple liquid form into a supercooled one or ice at T I = 200 K. In the initial stage, small patches containing tetrahedral oxygen atoms connect together to yield large clusters. The rapid drop in the number of clusters and the speedy growth in the size of the largest cluster lead to water's exhibiting anomalously dynamic behaviors at temperatures around 279 K. Our results also show that water is very stable in its supercooled or ice state, exhibiting no change in the mean squared displacement, light oscillation in the number of the clusters and in the size of the largest cluster.

  19. Incorporation of Co(II) in dealuminated BEA zeolite at lattice tetrahedral sites evidenced by XRD, FTIR, diffuse reflectance UV-Vis, EPR, and TPR.

    PubMed

    Dzwigaj, S; Che, M

    2006-06-29

    A CoSiBEA zeolite is prepared by a two-step postsynthesis method that consists of first creating vacant T-sites with associated silanol groups by dealumination of TEABEA zeolite with nitric acid and then impregnating the resulting SiBEA zeolite with an aqueous solution of Co(NO3)2. The incorporation of Co into lattice sites of SiBEA is evidenced by XRD. The consumption of OH groups is monitored by FTIR. The presence of Co in its II oxidation state and in tetrahedral coordination is evidenced by diffuse reflectance UV-vis and EPR spectroscopy. The very high reduction temperature (1120 K) of cobalt in CoSiBEA zeolite determined by TPR confirms that Co interacts strongly with the zeolite support, consistent with lattice tetrahedral (T(d)) coordination.

  20. Exploring the aryl esterase catalysis of paraoxonase-1 through solvent kinetic isotope effects and phosphonate-based isosteric analogues of the tetrahedral reaction intermediate.

    PubMed

    Bavec, Aljoša; Knez, Damijan; Makovec, Tomaž; Stojan, Jure; Gobec, Stanislav; Goličnik, Marko

    2014-11-01

    Although a recent study of Debord et al. in Biochimie (2014; 97:72-77) described the thermodynamics of the catalysed hydrolysis of phenyl acetate by human paraoxonase-1, the mechanistic details along the reaction route of this enzyme remain unclear. Therefore, we briefly present the solvent kinetic isotope effects on the phenyl acetate esterase activity of paraoxonase-1 and its inhibition with the phenyl methylphosphonate anion, which is a stable isosteric analogue that mimics the high-energy tetrahedral intermediate on the hydroxide-promoted hydrolysis pathway. The data show normal isotope effects, while proton inventory analysis indicates that two protons contribute to the kinetic isotope effect. Coherently, moderate competitive inhibition with the phenyl methylphosphonate anion reveals that the rate-limiting transition state suboptimally resembles the tetrahedral intermediate. The implications of these findings can be attributed to two possible reaction mechanisms that might occur during the paraoxonase-1-catalysed hydrolysis of phenyl acetate.

  1. Classification of constraints and degrees of freedom for quadratic discrete actions

    SciTech Connect

    Höhn, Philipp A.

    2014-11-15

    We provide a comprehensive classification of constraints and degrees of freedom for variational discrete systems governed by quadratic actions. This classification is based on the different types of null vectors of the Lagrangian two-form and employs the canonical formalism developed in Dittrich and Höhn [“Constraint analysis for variational discrete systems,” J. Math. Phys. 54, 093505 (2013); e-print http://arxiv.org/abs/arXiv:1303.4294 [math-ph

  2. Quadratic spline collocation and parareal deferred correction method for parabolic PDEs

    NASA Astrophysics Data System (ADS)

    Liu, Jun; Wang, Yan; Li, Rongjian

    2016-06-01

    In this paper, we consider a linear parabolic PDE, and use optimal quadratic spline collocation (QSC) methods for the space discretization, proceed the parareal technique on the time domain. Meanwhile, deferred correction technique is used to improve the accuracy during the iterations. The error estimation is presented and the stability is analyzed. Numerical experiments, which is carried out on a parallel computer with 40 CPUs, are attached to exhibit the effectiveness of the hybrid algorithm.

  3. Inter-annual precipitation changes as quadratic signals in the GRACE time-variable gravity

    NASA Astrophysics Data System (ADS)

    Ogawa, R.; Chao, B. F.; Heki, K.

    2009-04-01

    The Gravity Recovery and Climate Experiment (GRACE) satellite mission has been producing scientific results on mass variations on inter-annual timescales, e.g. melting of ice sheet in Greenland and mountain glaciers in Alaska, Eastern Africa drought, water level increase in Caspian Sea, etc. In these discussions only linear trends and the seasonal components have been analyzed in the monthly GRACE time series, whereas little attention has been paid so far to the existence of the quadratic changes which signify the temporal accelerations. With over 6 years of GRACE data and revisiting the time-variable gravity field of various regions, we find that such acceleration/deceleration terms are quite often significantly different from zero. They include East Africa, near Obi River, Caspian Sea, Black Sea, Central Asia, and southern South America, whereof discussions of linear trends without specifying the epochs are inadequate. Here we investigate geophysical implication of these quadratic terms; in particular gravity changes in land areas reflect, to a large extent, soil moisture variations. Soil moisture is the time integration of water fluxes, i.e. precipitation, evapotranspiration and runoff. Here we consider that the linear trend in precipitation is responsible for the quadratic change in gravity, and examine trends of observed precipitation in various regions from CMAP (Climate Prediction Center Merged Analysis of Precipitation). Thus, in order to compare linear trend in CMAP and acceleration in GRACE, we calculate month-to-month difference of equivalent water depth at GRACE grid points, and modeled them with seasonal variations and linear trends. We found good agreement between their geographical distributions although amplitudes are smaller in GRACE, meaning the quadratic gravity changes in the GRACE data do reflect inter-annual changes of precipitation fairly faithfully.

  4. Legendre-tau approximation for functional differential equations. II - The linear quadratic optimal control problem

    NASA Technical Reports Server (NTRS)

    Ito, Kazufumi; Teglas, Russell

    1987-01-01

    The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

  5. Random vibrations of quadratic damping systems. [optimum damping analysis for automobile suspension system

    NASA Technical Reports Server (NTRS)

    Sireteanu, T.

    1974-01-01

    An oscillating system with quadratic damping subjected to white noise excitation is replaced by a nonlinear, statistically equivalent system for which the associated Fokker-Planck equation can be exactly solved. The mean square responses are calculated and the optimum damping coefficient is determined with respect to the minimum mean square acceleration criteria. An application of these results to the optimization of automobile suspension damping is given.

  6. Quadratically convergent algorithm for fractional occupation numbers in density functional theory

    NASA Astrophysics Data System (ADS)

    Cancès, Eric; Kudin, Konstantin N.; Scuseria, Gustavo E.; Turinici, Gabriel

    2003-03-01

    The numerical solution of the electronic structure problem in Kohn-Sham density functional theory may in certain cases yield fractional occupancy of the single-particle orbitals. In this paper, we propose a quadratically convergent approach for simultaneous optimization of orbitals and occupancies in systems with fractional occupation numbers (FONs). The starting guess for orbitals and FONs is obtained via the relaxed constraint algorithm. Numerical results are presented for benchmark cases.

  7. A quadratic-tensor model algorithm for nonlinear least-squares problems with linear constraints

    NASA Technical Reports Server (NTRS)

    Hanson, R. J.; Krogh, Fred T.

    1992-01-01

    A new algorithm for solving nonlinear least-squares and nonlinear equation problems is proposed which is based on approximating the nonlinear functions using the quadratic-tensor model by Schnabel and Frank. The algorithm uses a trust region defined by a box containing the current values of the unknowns. The algorithm is found to be effective for problems with linear constraints and dense Jacobian matrices.

  8. A garden of orchids: a generalized Harper equation at quadratic irrational frequencies

    NASA Astrophysics Data System (ADS)

    Mestel, B. D.; Osbaldestin, A. H.

    2004-10-01

    We consider a generalized Harper equation at quadratic irrational flux, showing, in the strong coupling limit, the fluctuations of the exponentially decaying eigenfunctions are governed by the dynamics of a renormalization operator on a renormalization strange set. This work generalizes previous analyses which have considered only the golden mean case. Projections of the renormalization strange sets are illustrated analogous to the 'orchid' present in the golden mean case.

  9. Application’s Method of Quadratic Programming for Optimization of Portfolio Selection

    NASA Astrophysics Data System (ADS)

    Kawamoto, Shigeru; Takamoto, Masanori; Kobayashi, Yasuhiro

    Investors or fund-managers face with optimization of portfolio selection, which means that determine the kind and the quantity of investment among several brands. We have developed a method to obtain optimal stock’s portfolio more rapidly from twice to three times than conventional method with efficient universal optimization. The method is characterized by quadratic matrix of utility function and constrained matrices divided into several sub-matrices by focusing on structure of these matrices.

  10. On the time evolution operator for time-dependent quadratic Hamiltonians

    SciTech Connect

    Fernandez, F. M.

    1989-07-01

    The Schr/umlt o/dinger equation with a time-dependent quadratic Hamiltonian isinvestigated. The time-evolution operator is written as a product of exponentialoperators determined by the Heisenberg equations of motion. This productoperator is shown to be global in the occupation number representation when theHamiltonian is Hermitian. The success of some physical applications of theproduct-form representation is explained.

  11. Interpretation of the power response of a fuel cell with a quadratic logistic differential equation

    SciTech Connect

    Gonzalez, E.R.

    1996-06-01

    The interpretation of the behavior of a fuel cell may be done on the basis of models that require specific assumptions on both the description of the system and the mathematical treatment. This work shows that the power response of a fuel cell can be described by a quadratic logistic differential equation. In this way the interpretation of the dynamical behavior of the system can be done with the general concepts of dissipation, nonlinearity, and feedback.

  12. Tilt measurement and compensation algorithm for holographic data storage with optimized quadratic windows

    NASA Astrophysics Data System (ADS)

    Son, Kyungchan; Lim, Sung-Yong; Lee, Jae-seong; Jeong, Wooyoung; Yang, Hyunseok

    2016-09-01

    In holographic data storage, tilt is one of the critical disturbances. There are two types of tilt: tangential and radial. In real systems, tangential and radial tilt occur simultaneously. Thus, it is difficult to measure and compensate for tilt. In this study, using a quadratic window, which compares the intensity of a certain area, a tilt error signal was generated and compensated for with the proposed algorithm. The compensated image obtained satisfied a 0.3 dB tolerance.

  13. A path-following interior-point algorithm for linear and quadratic problems

    SciTech Connect

    Wright, S.J.

    1993-12-01

    We describe an algorithm for the monotone linear complementarity problem that converges for many positive, not necessarily feasible, starting point and exhibits polynomial complexity if some additional assumptions are made on the starting point. If the problem has a strictly complementary solution, the method converges subquadratically. We show that the algorithm and its convergence extend readily to the mixed monotone linear complementarity problem and, hence, to all the usual formulations of the linear programming and convex quadratic programming problems.

  14. Emotion suppression moderates the quadratic association between RSA and executive function

    PubMed Central

    Spangler, Derek P.; Bell, Martha Ann; Deater-Deckard, Kirby

    2016-01-01

    There is uncertainty about whether respiratory sinus arrhythmia (RSA), a cardiac marker of adaptive emotion regulation, is involved in relatively low or high executive function performance. In the present study, we investigated: (1) whether RSA during rest and tasks predict both relatively low and high executive function within a larger quadratic association among the two variables, and (2) the extent to which this quadratic trend was moderated by individual differences in emotion regulation. To achieve these aims, a sample of ethnically and socioeconomically diverse women self-reported reappraisal and emotion suppression. They next experienced a two-minute resting period during which ECG was continually assessed. In the next phase, the women completed an array of executive function and non-executive cognitive tasks while ECG was measured throughout. As anticipated, resting RSA showed a quadratic association with executive function that was strongest for high suppression. These results suggest that relatively high resting RSA may predict poor executive function ability when emotion regulation consumes executive control resources needed for ongoing cognitive performance. PMID:26018941

  15. Fast-rolling shutter compensation based on piecewise quadratic approximation of a camera trajectory

    NASA Astrophysics Data System (ADS)

    Lee, Yun Gu; Kai, Guo

    2014-09-01

    Rolling shutter effect commonly exists in a video camera or a mobile phone equipped with a complementary metal-oxide semiconductor sensor, caused by a row-by-row exposure mechanism. As video resolution in both spatial and temporal domains increases dramatically, removing rolling shutter effect fast and effectively becomes a challenging problem, especially for devices with limited hardware resources. We propose a fast method to compensate rolling shutter effect, which uses a piecewise quadratic function to approximate a camera trajectory. The duration of a quadratic function in each segment is equal to one frame (or half-frame), and each quadratic function is described by an initial velocity and a constant acceleration. The velocity and acceleration of each segment are estimated using only a few global (or semiglobal) motion vectors, which can be simply predicted from fast motion estimation algorithms. Then geometric image distortion at each scanline is inferred from the predicted camera trajectory for compensation. Experimental results on mobile phones with full-HD video demonstrate that our method can not only be implemented in real time, but also achieve satisfactory visual quality.

  16. The generalized quadratic covariation for fractional Brownian motion with Hurst index less than 1/2

    NASA Astrophysics Data System (ADS)

    Yan, Litan; Liu, Junfeng; Chen, Chao

    2014-11-01

    In this paper, we study the generalized quadratic covariation of f(BH) and BH defined by $ [f(BH),BH](H)t:=\\lim_\\varepsilon\\downarrow 0}(1)/(\\varepsilon2H)\\int 0t{f(BHs+\\varepsilon) -f(BHs)}(BHs+\\varepsilon-BH_s)ds2H in probability, where f is a Borel function and BH is a fractional Brownian motion with Hurst index 0 < H < 1/2. We construct a Banach space {H} of measurable functions such that the generalized quadratic covariation exists in L2(Ω) and the Bouleau-Yor identity takes the form [f(BH),BH]t(H)=-\\int_ {R}}f(x){L}H(dx,t) provided f\\in {H}, where {L}^{H}(x, t) is the weighted local time of BH. These are also extended to the time-dependent case, and as an application we give the identity between the generalized quadratic covariation and the 4-covariation [g(BH), BH, BH, BH] when H = 1/4.

  17. A new gradient-based neural network for solving linear and quadratic programming problems.

    PubMed

    Leung, Y; Chen, K Z; Jiao, Y C; Gao, X B; Leung, K S

    2001-01-01

    A new gradient-based neural network is constructed on the basis of the duality theory, optimization theory, convex analysis theory, Lyapunov stability theory, and LaSalle invariance principle to solve linear and quadratic programming problems. In particular, a new function F(x, y) is introduced into the energy function E(x, y) such that the function E(x, y) is convex and differentiable, and the resulting network is more efficient. This network involves all the relevant necessary and sufficient optimality conditions for convex quadratic programming problems. For linear programming and quadratic programming (QP) problems with unique and infinite number of solutions, we have proven strictly that for any initial point, every trajectory of the neural network converges to an optimal solution of the QP and its dual problem. The proposed network is different from the existing networks which use the penalty method or Lagrange method, and the inequality constraints are properly handled. The simulation results show that the proposed neural network is feasible and efficient.

  18. Frequency-independent approach to calculate physical optics radiations with the quadratic concave phase variations

    NASA Astrophysics Data System (ADS)

    Wu, Yu Mao; Teng, Si Jia

    2016-11-01

    In this work, we develop the numerical steepest descent path (NSDP) method to calculate the physical optics (PO) radiations with the quadratic concave phase variations. With the surface integral equation method, the physical optics (PO) scattered fields are formulated and further reduced to the surface integrals. The high frequency physical critical points contributions, including the stationary phase points, the boundary resonance points and the vertex points are comprehensively studied via the proposed NSDP method. The key contributions of this work are twofold. One is that together with the PO integrals taking the quadratic parabolic and hyperbolic phase terms, this work makes the NSDP theory be complete for treating the PO integrals with quadratic phase variations. Another is that, in order to illustrate the transition effect of the high frequency physical critical points, in this work, we consider and further extend the NSDP method to calculate the PO integrals with the coalescence of the high frequency critical points. Numerical results for the highly oscillatory PO integral with the coalescence of the critical points are given to verify the efficiency of the proposed NSDP method. The NSDP method could achieve the frequency independent computational workload and error controllable accuracy in all the numerical experiments, especially for the case of the coalescence of the high frequency critical points.

  19. Entanglement in a model for Hawking radiation: An application of quadratic algebras

    SciTech Connect

    Bambah, Bindu A.; Mukku, C.; Shreecharan, T.; Siva Prasad, K.

    2013-03-15

    Quadratic polynomially deformed su(1,1) and su(2) algebras are utilized in model Hamiltonians to show how the gravitational system consisting of a black hole, infalling radiation and outgoing (Hawking) radiation can be solved exactly. The models allow us to study the long-time behaviour of the black hole and its outgoing modes. In particular, we calculate the bipartite entanglement entropies of subsystems consisting of (a) infalling plus outgoing modes and (b) black hole modes plus the infalling modes, using the Janus-faced nature of the model. The long-time behaviour also gives us glimpses of modifications in the character of Hawking radiation. Finally, we study the phenomenon of superradiance in our model in analogy with atomic Dicke superradiance. - Highlights: Black-Right-Pointing-Pointer We examine a toy model for Hawking radiation with quantized black hole modes. Black-Right-Pointing-Pointer We use quadratic polynomially deformed su(1,1) algebras to study its entanglement properties. Black-Right-Pointing-Pointer We study the 'Dicke Superradiance' in black hole radiation using quadratically deformed su(2) algebras. Black-Right-Pointing-Pointer We study the modification of the thermal character of Hawking radiation due to quantized black hole modes.

  20. Self-Assembly of a Giant Tetrahedral 3 d-4 f Single-Molecule Magnet within a Polyoxometalate System.

    PubMed

    Ibrahim, Masooma; Mereacre, Valeriu; Leblanc, Nicolas; Wernsdorfer, Wolfgang; Anson, Christopher E; Powell, Annie K

    2015-12-14

    A giant tetrahedral heterometallic polyoxometalate (POM) [Dy30 Co8 Ge12 W108 O408 (OH)42 (OH2 )30 ](56-) , which shows single-molecule magnet (SMM) behavior, is described. This hybrid contains the largest number of 4f ions of any polyoxometalate (POM) reported to date and is the first to incorporate two different 3d-4f and 4f coordination cluster assemblies within same POM framework.

  1. Self-Assembly of a Giant Tetrahedral 3 d-4 f Single-Molecule Magnet within a Polyoxometalate System.

    PubMed

    Ibrahim, Masooma; Mereacre, Valeriu; Leblanc, Nicolas; Wernsdorfer, Wolfgang; Anson, Christopher E; Powell, Annie K

    2015-12-14

    A giant tetrahedral heterometallic polyoxometalate (POM) [Dy30 Co8 Ge12 W108 O408 (OH)42 (OH2 )30 ](56-) , which shows single-molecule magnet (SMM) behavior, is described. This hybrid contains the largest number of 4f ions of any polyoxometalate (POM) reported to date and is the first to incorporate two different 3d-4f and 4f coordination cluster assemblies within same POM framework. PMID:26390858

  2. Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion

    SciTech Connect

    Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P.; Huq, Ashfia; Payzant, E. Andrew; Wood, David L.; Daniel, Claus

    2014-09-30

    Discovery of high-voltage layered lithium-and manganese-rich (LMR) composite oxide electrode has dramatically enhanced the energy density of current Li-ion energy storage systems. However, practical usage of these materials is currently not viable because of their inability to maintain a consistent voltage profile (voltage fading) during subsequent charge-discharge cycles. This report rationalizes the cause of this voltage fade by providing the evidence of layer to spinel-like (LSL) structural evolution pathways in the host Li1.2Mn0.55Ni0.15Co0.1O2 LMR composite oxide. By employing neutron powder diffraction, and temperature dependent magnetic susceptibility, we show that LSL structural rearrangement in LMR oxide occurs through a tetrahedral cation intermediate via: i) diffusion of lithium atoms from octahedral to tetrahedral sites of the lithium layer [(LiLioct →LiLitet] which is followed by the dispersal of the lithium ions from the adjacent octahedral site of the metal layer to the tetrahedral sites of lithium layer [LiTM oct → LiLitet]; and ii) migration of Mn from the octahedral sites of the transition metal layer to the permanent octahedral site of lithium layer via tetrahedral site of lithium layer [MnTMoct MnLitet MnLioct)]. The findings opens the door to the potential routes to mitigate this atomic restructuring in the high-voltage LMR composite oxide cathodes by manipulating the composition/structure for practical use in high-energy-density lithium-ion batteries.

  3. Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion

    DOE PAGES

    Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P.; Huq, Ashfia; Payzant, E. Andrew; Wood, David L.; Daniel, Claus

    2014-09-30

    Discovery of high-voltage layered lithium-and manganese-rich (LMR) composite oxide electrode has dramatically enhanced the energy density of current Li-ion energy storage systems. However, practical usage of these materials is currently not viable because of their inability to maintain a consistent voltage profile (voltage fading) during subsequent charge-discharge cycles. This report rationalizes the cause of this voltage fade by providing the evidence of layer to spinel-like (LSL) structural evolution pathways in the host Li1.2Mn0.55Ni0.15Co0.1O2 LMR composite oxide. By employing neutron powder diffraction, and temperature dependent magnetic susceptibility, we show that LSL structural rearrangement in LMR oxide occurs through a tetrahedral cationmore » intermediate via: i) diffusion of lithium atoms from octahedral to tetrahedral sites of the lithium layer [(LiLioct →LiLitet] which is followed by the dispersal of the lithium ions from the adjacent octahedral site of the metal layer to the tetrahedral sites of lithium layer [LiTM oct → LiLitet]; and ii) migration of Mn from the octahedral sites of the transition metal layer to the permanent octahedral site of lithium layer via tetrahedral site of lithium layer [MnTMoct MnLitet MnLioct)]. The findings opens the door to the potential routes to mitigate this atomic restructuring in the high-voltage LMR composite oxide cathodes by manipulating the composition/structure for practical use in high-energy-density lithium-ion batteries.« less

  4. Tailoring the porous hierarchy and the tetrahedral aluminum content by using carboxylate ligands: hierarchically structured macro-mesoporous aluminosilicates from a single molecular source.

    PubMed

    Lemaire, Arnaud; Su, Bao-Lian

    2010-11-16

    A novel yet facile synthesis pathway has been developed for the design of hierarchically structured macro-mesoporous aluminosilicates with high aluminum content at tetrahedral sites using a single molecular bifunctional alkoxide (sec-BuO)(2)-Al-O-Si(OEt)(3) precursor. The use of carboxylate ligands and a highly alkaline media slow down the polymerization rate of the aluminum alkoxide functionality, thus permitting the preservation of the intrinsic Al-O-Si linkage. The hierarchically structured porous aluminosilicate materials present an unprecedented low Si/Al ratio close to 1. Heat treatment applied to the synthesized material seems to favor the incorporation of aluminum into tetrahedral position (intraframework aluminum species). The macro-mesoporosity was spontaneously generated, without the use of any external templating agent, by the hydrodynamic flow of the solvents released during the rapid hydrolysis and condensation processes of this double alkoxide. This method results in materials with an open array of interconnected macrochannels. The synthesized aluminosilicate materials with tailorable macro-mesoporous hierarchy and very high Al content at tetrahedral position hold huge promise in various applications as catalysts, catalysts supports, or adsorbents.

  5. Robust and minimum norm partial quadratic eigenvalue assignment in vibrating systems: A new optimization approach

    NASA Astrophysics Data System (ADS)

    Bai, Zheng-Jian; Datta, Biswa Nath; Wang, Jinwei

    2010-04-01

    The partial quadratic eigenvalue assignment problem (PQEVAP) concerns reassigning a few undesired eigenvalues of a quadratic matrix pencil to suitably chosen locations and keeping the other large number of eigenvalues and eigenvectors unchanged (no spill-over). The problem naturally arises in controlling dangerous vibrations in structures by means of active feedback control design. For practical viability, the design must be robust, which requires that the norms of the feedback matrices and the condition number of the closed-loop eigenvectors are as small as possible. The problem of computing feedback matrices that satisfy the above two practical requirements is known as the Robust Partial Quadratic Eigenvalue Assignment Problem (RPQEVAP). In this paper, we formulate the RPQEVAP as an unconstrained minimization problem with the cost function involving the condition number of the closed-loop eigenvector matrix and two feedback norms. Since only a small number of eigenvalues of the open-loop quadratic pencil are computable using the state-of-the-art matrix computational techniques and/or measurable in a vibration laboratory, it is imperative that the problem is solved using these small number of eigenvalues and the corresponding eigenvectors. To this end, a class of the feedback matrices are obtained in parametric form, parameterized by a single parametric matrix, and the cost function and the required gradient formulas for the optimization problem are developed in terms of the small number of eigenvalues that are reassigned and their corresponding eigenvectors. The problem is solved directly in quadratic setting without transforming it to a standard first-order control problem and most importantly, the significant "no spill-over property" of the closed-loop eigenvalues and eigenvectors is established by means of a mathematical result. These features make the proposed method practically applicable even for very large structures. Results on numerical experiments show

  6. Tetrahedral clusters of GaMo{sub 4}S{sub 8-} type compounds: A metal bonding analysis

    SciTech Connect

    Le Beuze, A..; Loirat, H.; Zerrouki, M.C.; Lissillour, R.

    1995-11-15

    Extended Hueckel tight binding calculations have been performed on ligated as well as on ligand-free Mo{sub 4} and Mo{sub 6} extended frames, in order to analyze the metal-metal bonding within the clusters and particularly the appreciable changes of the metal-metal bond lengths through the M{sub 4} tetrahedral units contained in GaM{sub 4}X{sub 8} (M = Mo, Nb, V, Ta; X = S, Se, Te), units of the MMo{sub 6}S{sub 4}Y{sub 4} (Y = Cl, Br, I). A comparison with the M{sub 6} octahedral units of the MMo{sub 6}X{sub 8} (M = Pb, Ag, La; X = S, Se) series is made. By means of DOS, COOP curves, and overlap populations, results clearly display the strong reorganization of the electronic structure of the bare metal clusters network while the ligand interactions occur, inducing a strong reduction of the strength of the metal-metal bonds. We outline the relationship between the metal-metal bond lengths and various parameters such as the valence electron count (VEC) per cluster and the nature of the ligands. Our results indicate that the two series M{sub 4} and M{sub 6} differ: M-M bond lengths are unaffected by the VEC in the regular M{sub 4} cluster; whereas some M-M bond lengths undergo a significant change when the VEC increases in the distorded M{sub 6} clusters. Likewise, it is worthy to note that metal d orbitals have a more significant effect in M{sub 4} cluster series. In contrast, the metal-ligand covalency induces similar enlongations of metal-metal bonds in the two series.

  7. Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe1-xSex

    DOE PAGES

    Xu, Zhijun; Xu, Guangyong; Schneeloch, J. A.; Wen, Jinsheng; Bozin, E. S.; Granroth, G. E.; Winn, B. L.; Feygenson, M.; Birgeneau, R. J.; Gu, Genda; et al

    2016-03-14

    It has recently been demonstrated that dynamical magnetic correlations measured by neutron scattering in iron chalcogenides can be described with models of short-range correlations characterized by particular choices of four-spin plaquettes, where the appropriate choice changes as the parent material is doped towards superconductivity. Here we apply such models to describe measured maps of magnetic scattering as a function of two-dimensional wave vectors obtained for optimally superconducting crystals of FeTe1–xSex. We show that the characteristic antiferromagnetic wave vector evolves from that of the bicollinear structure found in underdoped chalcogenides (at high temperature) to that associated with the stripe structure ofmore » antiferromagnetic iron arsenides (at low temperature); these can both be described with the same local plaquette, but with different interplaquette correlations. While the magnitude of the low-energy magnetic spectral weight is substantial at all temperatures, it actually weakens somewhat at low temperature, where the charge carriers become more itinerant. The observed change in spin correlations is correlated with the dramatic drop in the electronic scattering rate and the growth of the bulk nematic response upon cooling. Lastly, we also present powder neutron diffraction results for lattice parameters in FeTe1–xSex indicating that the tetrahedral bond angle tends to increase towards the ideal value upon cooling, in agreement with the increased screening of the crystal field by more itinerant electrons and the correspondingly smaller splitting of the Fe 3d orbitals.« less

  8. Membrane triangles with corner drilling freedoms. I - The EFF element

    NASA Technical Reports Server (NTRS)

    Alvin, Ken; De La Fuente, Horacio M.; Haugen, Bjorn; Felippa, Carlos A.

    1992-01-01

    The formulation of 3-node 9-DOF membrane elements with normal-to-element-plane rotations (drilling freedoms) is examined in the context of parametrized variational principles. In particular, attention is given to the application of the extended free formulation (EFF) to the construction of a triangular membrane element with drilling freedoms that initially has complete quadratic polynomial expansions in each displacement component. The main advantage of the EFF over the free formulation triangle is that an explicit form is obtained for the higher-order stiffness.

  9. Intramolecular N-H···Cl hydrogen bonds in the outer coordination sphere of a bipyridyl bisurea-based ligand stabilize a tetrahedral FeLCl2 complex.

    PubMed

    Gavette, Jesse V; Klug, Christina M; Zakharov, Lev N; Shores, Matthew P; Haley, Michael M; Johnson, Darren W

    2014-07-11

    A bipyridyl-based anion receptor is utilized as a ligand in a tetrahedral FeCl2 complex and demonstrates secondary coordination sphere influence through intramolecular hydrogen bonding to the chloride ligands as evidenced by X-ray crystallography.

  10. Quadratic nonlinear models for optimizing electrostatic separation of crushed waste printed circuit boards using response surface methodology.

    PubMed

    Qin, Yufei; Wu, Jiang; Zhou, Quan; Xu, Zhenming

    2009-08-15

    The electrostatic separation has proved to be an effective and environment-friendly treatment for the recovery of crushed waste printed circuit boards (PCBs). In this paper a more sophisticated response surface methodology was applied to build quadratic models and optimize the three main factors on a roll-type electrostatic separator. The sample of granular mixture got from crushed PCB wastes (size 0.3-0.45 mm, containing 25% metal and 75% nonmetal). According to the analysis of the experiment data, some quadratic effects were found, and two quadratic models for conductor production (C) and middling production (M) were established. The results indicated that the high voltage level and roll speed are the most important factors for the process. Because of the existence of the quadratic effect, the highest efficiency can also be achieved at a lower voltage level (27-29 kV) compared with a maximum voltage level.

  11. Mott-insulator phases of spin-3/2 fermions in the presence of quadratic Zeeman coupling.

    PubMed

    Rodríguez, K; Argüelles, A; Colomé-Tatché, M; Vekua, T; Santos, L

    2010-07-30

    We study the influence of the quadratic Zeeman effect on the Mott-insulator phases of hard-core 1D spin-3/2 fermions. We show that, contrary to spinor bosons, the quadratic Zeeman coupling preserves an SU(2)⊗SU(2) symmetry, leading for large-enough quadratic Zeeman coupling to an isotropic pseudo-spin-1/2 Heisenberg antiferromagnet. Decreasing the quadratic Zeeman coupling, this phase undergoes, depending on the scattering lengths, either a Kosterlitz-Thouless transition into a gapped dimerized phase or a commensurate-incommensurate transition into a gapless spin liquid. This rich phase diagram can be observed experimentally in four-component fermions in optical lattices under similar entropy constraints to those needed for Néel order in spin-1/2 gases.

  12. Mott-insulator phases of spin-3/2 fermions in the presence of quadratic Zeeman coupling

    SciTech Connect

    Rodriguez, K.; Argueelles, A.; Colome-Tatche, M.; Vekua, T.; Santos, L.

    2010-07-30

    We study the influence of the quadratic Zeeman effect on the Mott-insulator phases of hard-core 1D spin-3/2 fermions. We show that, contrary to spinor bosons, the quadratic Zeeman coupling preserves an SU(2) x SU(2) symmetry, leading for large-enough quadratic Zeeman coupling to an isotropic pseudo-spin-1/2 Heisenberg antiferromagnet. Decreasing the quadratic Zeeman coupling, this phase undergoes, depending on the scattering lengths, either a Kosterlitz-Thouless transition into a gapped dimerized phase or a commensurate-incommensurate transition into a gapless spin liquid. This rich phase diagram can be observed experimentally in four-component fermions in optical lattices under similar entropy constraints to those needed for Neel order in spin-1/2 gases.

  13. Use of edge-based finite elements for solving three dimensional scattering problems

    NASA Technical Reports Server (NTRS)

    Chatterjee, A.; Jin, J. M.; Volakis, John L.

    1991-01-01

    Edge based finite elements are free from drawbacks associated with node based vectorial finite elements and are, therefore, ideal for solving 3-D scattering problems. The finite element discretization using edge elements is checked by solving for the resonant frequencies of a closed inhomogeneously filled metallic cavity. Great improvements in accuracy are observed when compared to the classical node based approach with no penalty in terms of computational time and with the expected absence of spurious modes. A performance comparison between the edge based tetrahedra and rectangular brick elements is carried out and tetrahedral elements are found to be more accurate than rectangular bricks for a given storage intensity. A detailed formulation for the scattering problem with various approaches for terminating the finite element mesh is also presented.

  14. Elemental health

    SciTech Connect

    Tonneson, L.C.

    1997-01-01

    Trace elements used in nutritional supplements and vitamins are discussed in the article. Relevant studies are briefly cited regarding the health effects of selenium, chromium, germanium, silicon, zinc, magnesium, silver, manganese, ruthenium, lithium, and vanadium. The toxicity and food sources are listed for some of the elements. A brief summary is also provided of the nutritional supplements market.

  15. Finite-Element Analysis of Bone Stresses on Primary Impact in a Large-Animal Model: The Distal End of the Equine Third Metacarpal

    PubMed Central

    Gordon, Karen D.; Burkhart, Timothy A.; Holdsworth, David W.

    2016-01-01

    Objective To assess whether the transient stresses of foot impact with the ground are similar to those found during midstance loading and if the location of high stress correlate with the sites most commonly associated with mechanically induced osteoarthritis (OA). We compared impact stresses in subchondral bone between two subject-specific, three-dimensional, finite-element models of the equine metacarpophalangeal (MCP) joint—one with advanced OA and one healthy, and with similar published data on the stresses that occur at midstance. Methods Two right MCP joints (third metacarpal and proximal phalanx) were scanned using micro-computed tomography (μCT). Images were segmented, and meshed using modified 10-node quadratic tetrahedral elements. Bone material properties were assigned based on the bone density. An impact velocity of 3.55 m/s was applied to each model and contact pressures and stress distribution were calculated for each. In a separate iteration, the third metacarpal was loaded statically. A sampling grid of 160 equidistant points was superimposed over selected slices, and average peak stresses were calculated for 6 anatomical regions. Within-region maximal peak and average von Mises stresses were compared between healthy and OA bones in both midstance and impact loading. Results Average impact stresses across all regions, in both locations (palmar and dorsal) were greater in the OA model. Highest impact stresses were located in the dorsal medial condyle in the healthy (12.8 MPa) and OA (14.1MPa) models, and were lowest in the palmar medial and lateral parasagittal grooves in the healthy (5.94 MPa) and OA (7.07 MPa) models. The healthy static model had higher peak (up to 49.7% greater) and average (up to 38.6% greater) stresses in both locations and across all regions compared to the OA static model. Conclusions Under simulated footfall a trot, loading on the dorsal aspect of the third metacarpal at impact created stresses similar to those found

  16. A Quadratic Spline based Interface (QUASI) reconstruction algorithm for accurate tracking of two-phase flows

    NASA Astrophysics Data System (ADS)

    Diwakar, S. V.; Das, Sarit K.; Sundararajan, T.

    2009-12-01

    A new Quadratic Spline based Interface (QUASI) reconstruction algorithm is presented which provides an accurate and continuous representation of the interface in a multiphase domain and facilitates the direct estimation of local interfacial curvature. The fluid interface in each of the mixed cells is represented by piecewise parabolic curves and an initial discontinuous PLIC approximation of the interface is progressively converted into a smooth quadratic spline made of these parabolic curves. The conversion is achieved by a sequence of predictor-corrector operations enforcing function ( C0) and derivative ( C1) continuity at the cell boundaries using simple analytical expressions for the continuity requirements. The efficacy and accuracy of the current algorithm has been demonstrated using standard test cases involving reconstruction of known static interface shapes and dynamically evolving interfaces in prescribed flow situations. These benchmark studies illustrate that the present algorithm performs excellently as compared to the other interface reconstruction methods available in literature. Quadratic rate of error reduction with respect to grid size has been observed in all the cases with curved interface shapes; only in situations where the interface geometry is primarily flat, the rate of convergence becomes linear with the mesh size. The flow algorithm implemented in the current work is designed to accurately balance the pressure gradients with the surface tension force at any location. As a consequence, it is able to minimize spurious flow currents arising from imperfect normal stress balance at the interface. This has been demonstrated through the standard test problem of an inviscid droplet placed in a quiescent medium. Finally, the direct curvature estimation ability of the current algorithm is illustrated through the coupled multiphase flow problem of a deformable air bubble rising through a column of water.

  17. Electrical conduction of ion tracks in tetrahedral amorphous carbon: temperature, field and doping dependence and comparison with matrix data

    NASA Astrophysics Data System (ADS)

    Krauser, J.; Gehrke, H.-G.; Hofsäss, H.; Amani, J.; Trautmann, C.; Weidinger, A.

    2015-12-01

    This paper gives an extended overview of the electrical properties of ion tracks in hydrogen-free tetrahedral amorphous carbon (ta-C) with a sp3 bond fraction of about 80%. The films were grown by mass selected ion beam deposition of 100 eV 12C+ ions. The ion tracks are generated by irradiation of ta-C films with uranium ions of 1 GeV kinetic energy. Along the ion path a conversion from diamond-like (sp3) carbon to graphite-like (sp2) carbon takes place. Topography and current measurements of individual ion tracks were performed by atomic force microscopy at ambient temperature. The temperature dependence of the electric conductivity was studied between 15 and 390 K by means of 0.28 mm2 large contact pads averaging over about 107 tracks. For each sample and at each temperature the conductivity as a function of the applied electrical field (non-ohmic behaviour) was measured separately and the data were extrapolated to field zero. In this way, the zero-field conductivity was determined independent from the field dependence. In spite of large differences in the absolute values, the temperature dependence of the zero-field conductivities is found to be very similar in shape for all samples. The conductivities follow a {T}-{1/4} law up to temperatures slightly below room temperature. At higher temperatures a transport mechanism based on over-barrier hopping dominates with an activation energy of about 220 meV for tracks and 260 meV for the ta-C matrix. The field dependence measurements show that the deviation of the I-V characteristics from ohmic behaviour decreases with increasing zero-field conductivity. We also tested Cu-doped ta-C samples and found that they conduct significantly better than pure ta-C. However, the doping also increases the zero-field conductivity resulting in a weaker contrast between the track and matrix. The data are interpreted within the so-called ‘barrier model’ where the electrons are assumed to move fairly freely in well-conducting sp2

  18. Electronic spectrum of non-tetrahedral acceptors in CdTe:Cl and CdTe:Bi,Cl single crystals

    NASA Astrophysics Data System (ADS)

    Krivobok, V. S.; Nikolaev, S. N.; Bagaev, V. S.; Pruchkina, A. A.; Onishchenko, E. E.; Kolosov, S. A.; Klevkov, Yu. V.; Skorikov, M. L.

    2016-02-01

    The electronic spectra of complex acceptors in compensated CdTe:Cl, CdTe:Ag,Cl, and CdTe:Bi,Cl single crystals are studied using low-temperature photoluminescence (PL) measurements under both nonresonant and resonant excitation of distant donor-acceptor pairs (DAP). The wavelength modulation of the excitation source combined with the analysis of the differential PL signal is used to enhance narrow spectral features obscured because of inhomogeneous line broadening and/or excitation transfer for selectively excited DAPs. For the well-known tetrahedral (TD) AgCd acceptor, the energies of four excited states are measured, and the values obtained are shown to be in perfect agreement with the previous data. Moreover, splitting between the 2P3/2 (D8) and 2S3/2 (D8) states is clearly observed for AgCd centers located at a short distance (5-7 nm) from a hydrogen-like donor (ClTe). This splitting results from the reduction of the TD symmetry taking place when the acceptor is a member of a donor-acceptor pair. For the Cl-related complex acceptor with an activation energy of ˜121 meV (A-center), the energies of eight excited states are measured. It is shown that this defect produces low-symmetry central-cell correction responsible for the strong splitting of S-like TD shells. The energy spectrum of the Bi-related shallow acceptor with an activation energy of ˜36 meV is measured as well. The spectrum obtained differs drastically from the hydrogen-like set of levels, which indicates the existence of repulsive low-symmetry perturbation of the hydrogen-like Coulomb potential. It is also shown that the spectra of selectively excited PL recorded for a macroscopic ensemble of distant donor-acceptor pairs allow one to detect the low symmetry of acceptors of a given type caused by their complex nature or by the Jahn-Teller distortion. This method does not require any additional (external) field and is applicable to acceptors in diverse zinc-blende compound semiconductors.

  19. Assemblies of polyvinylpyrrolidone-capped tetrahedral and spherical Pt nanoparticles in polyelectrolytes: hydrogen underpotential deposition and electrochemical characterization.

    PubMed

    Jaber, Sarah; Nasr, Pamela; Xin, Yan; Sleem, Fatima; Halaoui, Lara I

    2013-09-28

    Polyvinylpyrrolidone (PVP)-capped Pt nanoparticles (NPs) were synthesized in mostly tetrahedral (TH-Pt, [edge] = 4.3 ± 0.7 nm) or spherical (S-Pt, [d] = 3.4 ± 0.8 nm) shapes and assembled layer-by-layer in poly(diallyldimethylammonium) chloride on electrodes driven by electrostatic and hydrophobic interactions. The nanostructured Pt electrodes were characterized using hydrogen underpotential deposition (H(upd)) in 1 M H2SO4. The H(upd) charge increased linearly with the PDDA-Pt NP adsorption cycle measured up to 10 cycles revealing a linear incorporation of Pt NPs per cycle, indicative of reproducible surface charge reversal despite the submonolayer NP coverage imaged by TEM on a PDDA layer, and showing the feasibility of charge and mass transport in the thickness of the films. H(upd) at both PVP-TH-Pt and PVP-S-Pt occurred in two states, a major weak-adsorption H(W) peak, and a minor strong-adsorption state H(S) appearing as a shoulder. H(upd) features and other electrochemical processes at assemblies of PVP-Pt NP in PDDA were compared to assemblies of 2.5 nm polyacrylate-capped Pt NPs in PDDA and to polycrystalline Pt. Results indicated that H(W) adsorption likely occurs on a PVP-modified Pt NP surface without being accompanied by PVP desorption, while H(S) occurs on free (100) sites. The PVP-Pt NPs were resistant to surface oxidation and were stable against usual surface restructuring when scanned into the Pt-oxide potential region as they remained modified with PVP. O2 evolution was also suppressed by PVP-capping compared to PAC-Pt NPs and polycryst-Pt, but the assemblies were electrocatalytic for hydrogen evolution, hydrogen oxidation, and oxygen reduction. Increasing anodic polarization increased the H(W) charge but without causing a potential shift, indicating absence of PVP decapping or Pt surface restructuring, but possibly some structural polymer rearrangement increasing the accessibility of buried sites for H-adsorption.

  20. Superheavy Elements

    ERIC Educational Resources Information Center

    Tsang, Chin Fu

    1975-01-01

    Discusses the possibility of creating elements with an atomic number of around 114. Describes the underlying physics responsible for the limited extent of the periodic table and enumerates problems that must be overcome in creating a superheavy nucleus. (GS)