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Sample records for optimized geometric bond

  1. Geometric optimization

    SciTech Connect

    Hinker, P.; Hansen, C.

    1993-09-01

    An algorithm is presented which describes an application independent method for reducing the number of polygonal primitives required to faithfully represent an object. Reducing polygon count without a corresponding reduction in object detail is important for: achieving interactive frame rates in scientific visualization, reducing mass storage requirements, and facilitating the transmission of large, multi-timestep geometric data sets. This paper shows how coplanar and nearly coplanar polygons can be merged into larger complex polygons and re-triangulated into fewer simple polygons than originally required. The notable contributions of this paper are: (1) a method for quickly grouping polygons into nearly coplanar sets, (2) a fast approach for merging coplanar polygon sets and, (3) a simple, robust triangulation method for polygons created by 1 and 2. The central idea of the algorithm is the notion of treating polygonal data as a collection of segments and removing redundant segments to quickly form polygon hulls which represent the merged coplanar sets.

  2. Geometric optimization of thermal systems

    NASA Astrophysics Data System (ADS)

    Alebrahim, Asad Mansour

    2000-10-01

    The work in chapter 1 extends to three dimensions and to convective heat transfer the constructal method of minimizing the thermal resistance between a volume and one point. In the first part, the heat flow mechanism is conduction, and the heat generating volume is occupied by low conductivity material (k 0) and high conductivity inserts (kp) that are shaped as constant-thickness disks mounted on a common stem of kp material. In the second part the interstitial spaces once occupied by k0 material are bathed by forced convection. The internal and external geometric aspect ratios of the elemental volume and the first assembly are optimized numerically subject to volume constraints. Chapter 2 presents the constrained thermodynamic optimization of a cross-flow heat exchanger with ram air on the cold side, which is used in the environmental control systems of aircraft. Optimized geometric features such as the ratio of channel spacings and flow lengths are reported. It is found that the optimized features are relatively insensitive to changes in other physical parameters of the installation and relatively insensitive to the additional irreversibility due to discharging the ram-air stream into the atmosphere, emphasizing the robustness of the thermodynamic optimum. In chapter 3 the problem of maximizing exergy extraction from a hot stream by distributing streams over a heat transfer surface is studied. In the first part, the cold stream is compressed in an isothermal compressor, expanded in an adiabatic turbine, and discharged into the ambient. In the second part, the cold stream is compressed in an adiabatic compressor. Both designs are optimized with respect to the capacity-rate imbalance of the counter-flow and the pressure ratio maintained by the compressor. This study shows the tradeoff between simplicity and increased performance, and outlines the path for further conceptual work on the extraction of exergy from a hot stream that is being cooled gradually. The aim

  3. Optimizing the geometrical accuracy of curvilinear meshes

    NASA Astrophysics Data System (ADS)

    Toulorge, Thomas; Lambrechts, Jonathan; Remacle, Jean-François

    2016-04-01

    This paper presents a method to generate valid high order meshes with optimized geometrical accuracy. The high order meshing procedure starts with a linear mesh, that is subsequently curved without taking care of the validity of the high order elements. An optimization procedure is then used to both untangle invalid elements and optimize the geometrical accuracy of the mesh. Standard measures of the distance between curves are considered to evaluate the geometrical accuracy in planar two-dimensional meshes, but they prove computationally too costly for optimization purposes. A fast estimate of the geometrical accuracy, based on Taylor expansions of the curves, is introduced. An unconstrained optimization procedure based on this estimate is shown to yield significant improvements in the geometrical accuracy of high order meshes, as measured by the standard Hausdorff distance between the geometrical model and the mesh. Several examples illustrate the beneficial impact of this method on CFD solutions, with a particular role of the enhanced mesh boundary smoothness.

  4. Evolutionary Optimization of a Geometrically Refined Truss

    NASA Technical Reports Server (NTRS)

    Hull, P. V.; Tinker, M. L.; Dozier, G. V.

    2007-01-01

    Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection, and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This Technical Publication (TP) presents a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: genetic algorithms and differential evolution to successfully optimize a benchmark structural optimization problem. A nontraditional solution to the benchmark problem is presented in this TP, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

  5. Geometrically nonlinear analysis of adhesively bonded joints

    NASA Technical Reports Server (NTRS)

    Dattaguru, B.; Everett, R. A., Jr.; Whitcomb, J. D.; Johnson, W. S.

    1982-01-01

    A geometrically nonlinear finite element analysis of cohesive failure in typical joints is presented. Cracked-lap-shear joints were chosen for analysis. Results obtained from linear and nonlinear analysis show that nonlinear effects, due to large rotations, significantly affect the calculated mode 1, crack opening, and mode 2, inplane shear, strain-energy-release rates. The ratio of the mode 1 to mode 2 strain-energy-relase rates (G1/G2) was found to be strongly affected by he adhesive modulus and the adherend thickness. The ratios between 0.2 and 0.8 can be obtained by varying adherend thickness and using either a single or double cracked-lap-shear specimen configuration. Debond growth rate data, together with the analysis, indicate that mode 1 strain-energy-release rate governs debond growth. Results from the present analysis agree well with experimentally measured joint opening displacements.

  6. Interplay between Peptide Bond Geometrical Parameters in Nonglobular Structural Contexts

    PubMed Central

    Esposito, Luciana; De Simone, Alfonso; Vitagliano, Luigi

    2013-01-01

    Several investigations performed in the last two decades have unveiled that geometrical parameters of protein backbone show a remarkable variability. Although these studies have provided interesting insights into one of the basic aspects of protein structure, they have been conducted on globular and water-soluble proteins. We report here a detailed analysis of backbone geometrical parameters in nonglobular proteins/peptides. We considered membrane proteins and two distinct fibrous systems (amyloid-forming and collagen-like peptides). Present data show that in these systems the local conformation plays a major role in dictating the amplitude of the bond angle N-Cα-C and the propensity of the peptide bond to adopt planar/nonplanar states. Since the trends detected here are in line with the concept of the mutual influence of local geometry and conformation previously established for globular and water-soluble proteins, our analysis demonstrates that the interplay of backbone geometrical parameters is an intrinsic and general property of protein/peptide structures that is preserved also in nonglobular contexts. For amyloid-forming peptides significant distortions of the N-Cα-C bond angle, indicative of sterical hidden strain, may occur in correspondence with side chain interdigitation. The correlation between the dihedral angles Δω/ψ in collagen-like models may have interesting implications for triple helix stability. PMID:24455689

  7. A geometric representation scheme suitable for shape optimization

    NASA Technical Reports Server (NTRS)

    Tortorelli, Daniel A.

    1990-01-01

    A geometric representation scheme is outlined which utilizes the natural design variable concept. A base configuration with distinct topological features is created. This configuration is then deformed to define components with similar topology but different geometry. The values of the deforming loads are the geometric entities used in the shape representation. The representation can be used for all geometric design studies; it is demonstrated here for structural optimization. This technique can be used in parametric design studies, where the system response is defined as functions of geometric entities. It can also be used in shape optimization, where the geometric entities of an original design are modified to maximize performance and satisfy constraints. Two example problems are provided. A cantilever beam is elongated to meet new design specifications and then optimized to reduce volume and satisfy stress constraints. A similar optimization problem is presented for an automobile crankshaft section. The finite element method is used to perform the analyses.

  8. Adatom bond-induced geometric and electronic properties of passivated armchair graphene nanoribbons.

    PubMed

    Lin, Yu-Tsung; Chung, Hsien-Ching; Yang, Po-Hua; Lin, Shih-Yang; Lin, Ming-Fa

    2015-07-01

    The geometric and electronic properties of passivated armchair graphene nanoribbons, enriched by strong chemical bonding between edge-carbons and various adatoms, are investigated by first-principle calculations. Adatom arrangements, bond lengths, charge distributions, and energy dispersions are dramatically changed by edge passivation. Elements with an atomic number of less than 20 are classified into three types depending on the optimal geometric structures: planar and non-planar structures, the latter of which are associated with specific arrangements and stacked configurations of adatoms. Especially, the nitrogen passivated nanoribbon is the most stable one with a heptagon-pentagon structure at the edges. The low-lying band structures are drastically varied, exhibiting non-monotonous energy dispersions and adatom-dominated bands. A relationship between energy gaps and ribbon widths no longer exists, and some adatoms further induce a semiconductor-metal transition. All the main characteristics are directly reflected in the density of states, revealing dip structures, plateaus, symmetric peaks, and square-root divergent asymmetric peaks. PMID:26051862

  9. Optimized geometric configuration of active ring laser gyroscopes

    NASA Astrophysics Data System (ADS)

    Gormley, John; Salloum, Tony

    2016-05-01

    We present a thorough derivation of the Sagnac effect for a ring laser gyroscope of any arbitrary polygonal configuration. We determine optimized alternative geometric configurations for the mirrors. The simulations incur the implementation of a lasing medium with the standard square system, triangular, pentagonal, and oblongated square configuration (diamond). Simulations of possible new geometric configurations are considered, as well as the possibility of adjusting the concavity of the mirrors.

  10. Optimizing ultrasonic imaging for adhesively bonded plates

    SciTech Connect

    Conboy, Mike; Hart, Scot; Harris-Weiel, David; Meyer, R. L.; Claytor, T. N.

    2004-01-01

    Bonded materials are used in many critical applications, making it important to determine the state of the adhesive during service or aging. It is also of importance, in many cases, to determine if the adhesive has uniformly and completely covered the area to be joined. Through dual transducer scanning, focused and unfocused transducers, and immersion scanning, the uniformity and adherence of a visco-elastic material can be evaluated. In this report, ultrasonic scanning parameters will be optimized experimentally with guidance from simulation tools including Wave 2000 pro and Imagine 3D. We explored optimizing the contrast ratio by varying the interrogation frequency and also by adjusting the distance between the transducer and bond line. An improvement in contrast should also increase the ability to detect differences in compositions and viscosity of the bonded layer. By maximizing the contrast the quality of the visco-elastic bond can be determined, and imperfections detected before adhesive failure.

  11. Optimal control of underactuated mechanical systems: A geometric approach

    NASA Astrophysics Data System (ADS)

    Colombo, Leonardo; Martín De Diego, David; Zuccalli, Marcela

    2010-08-01

    In this paper, we consider a geometric formalism for optimal control of underactuated mechanical systems. Our techniques are an adaptation of the classical Skinner and Rusk approach for the case of Lagrangian dynamics with higher-order constraints. We study a regular case where it is possible to establish a symplectic framework and, as a consequence, to obtain a unique vector field determining the dynamics of the optimal control problem. These developments will allow us to develop a new class of geometric integrators based on discrete variational calculus.

  12. Optimal source codes for geometrically distributed integer alphabets

    NASA Technical Reports Server (NTRS)

    Gallager, R. G.; Van Voorhis, D. C.

    1975-01-01

    An approach is shown for using the Huffman algorithm indirectly to prove the optimality of a code for an infinite alphabet if an estimate concerning the nature of the code can be made. Attention is given to nonnegative integers with a geometric probability assignment. The particular distribution considered arises in run-length coding and in encoding protocol information in data networks. Questions of redundancy of the optimal code are also investigated.

  13. Optimized probabilistic quantum processors: A unified geometric approach 1

    NASA Astrophysics Data System (ADS)

    Bergou, Janos; Bagan, Emilio; Feldman, Edgar

    Using probabilistic and deterministic quantum cloning, and quantum state separation as illustrative examples we develop a complete geometric solution for finding their optimal success probabilities. The method is related to the approach that we introduced earlier for the unambiguous discrimination of more than two states. In some cases the method delivers analytical results, in others it leads to intuitive and straightforward numerical solutions. We also present implementations of the schemes based on linear optics employing few-photon interferometry

  14. Geometric Mechanics Reveals Optimal Complex Terrestrial Undulation Patterns

    NASA Astrophysics Data System (ADS)

    Gong, Chaohui; Astley, Henry; Schiebel, Perrin; Dai, Jin; Travers, Matthew; Goldman, Daniel; Choset, Howie; CMU Team; GT Team

    Geometric mechanics offers useful tools for intuitively analyzing biological and robotic locomotion. However, utility of these tools were previously restricted to systems that have only two internal degrees of freedom and in uniform media. We show kinematics of complex locomotors that make intermittent contacts with substrates can be approximated as a linear combination of two shape bases, and can be represented using two variables. Therefore, the tools of geometric mechanics can be used to analyze motions of locomotors with many degrees of freedom. To demonstrate the proposed technique, we present studies on two different types of snake gaits which utilize combinations of waves in the horizontal and vertical planes: sidewinding (in the sidewinder rattlesnake C. cerastes) and lateral undulation (in the desert specialist snake C. occipitalis). C. cerastes moves by generating posteriorly traveling body waves in the horizontal and vertical directions, with a relative phase offset equal to +/-π/2 while C. occipitalismaintains a π/2 offset of a frequency doubled vertical wave. Geometric analysis reveals these coordination patterns enable optimal movement in the two different styles of undulatory terrestrial locomotion. More broadly, these examples demonstrate the utility of geometric mechanics in analyzing realistic biological and robotic locomotion.

  15. THP-1 macrophage lipid accumulation unaffected by fatty acid double bond geometric or positional configuration

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Dietary fatty acid type alters atherosclerotic lesion progression and macrophage lipid accumulation. Incompletely elucidated are the mechanisms by which fatty acids differing in double-bond geometric or positional configuration alter arterial lipid accumulation. The objective of this study was to ev...

  16. A geometric analysis of mastectomy incisions: Optimizing intraoperative breast volume

    PubMed Central

    Chopp, David; Rawlani, Vinay; Ellis, Marco; Johnson, Sarah A; Buck, Donald W; Khan, Seema; Bethke, Kevin; Hansen, Nora; Kim, John YS

    2011-01-01

    INTRODUCTION: The advent of acellular dermis-based tissue expander breast reconstruction has placed an increased emphasis on optimizing intraoperative volume. Because skin preservation is a critical determinant of intraoperative volume expansion, a mathematical model was developed to capture the influence of incision dimension on subsequent tissue expander volumes. METHODS: A mathematical equation was developed to calculate breast volume via integration of a geometrically modelled breast cross-section. The equation calculates volume changes associated with excised skin during the mastectomy incision by reducing the arc length of the cross-section. The degree of volume loss is subsequently calculated based on excision dimensions ranging from 35 mm to 60 mm. RESULTS: A quadratic relationship between breast volume and the vertical dimension of the mastectomy incision exists, such that incrementally larger incisions lead to a disproportionally greater amount of volume loss. The vertical dimension of the mastectomy incision – more so than the horizontal dimension – is of critical importance to maintain breast volume. Moreover, the predicted volume loss is more profound in smaller breasts and primarily occurs in areas that affect breast projection on ptosis. CONCLUSIONS: The present study is the first to model the relationship between the vertical dimensions of the mastectomy incision and subsequent volume loss. These geometric principles will aid in optimizing intra-operative volume expansion during expander-based breast reconstruction. PMID:22654531

  17. Geometric factors affecting dentin bonding in root canals: a theoretical modeling approach.

    PubMed

    Tay, Franklin R; Loushine, Robert J; Lambrechts, Paul; Weller, R Norman; Pashley, David H

    2005-08-01

    Cavity configuration factor (C-factor) is the ratio of the bonded surface area in a cavity to the unbonded surface area. In a box-like class I cavity, there may be five times more bonded surface area than the unbonded surface area. During polymerization, the volume of monomers is reduced, which creates sufficient shrinkage stresses to debond the material from dentin, thereby decreasing retention and increasing leakage. The important variables influencing bonding adhesive root-filling materials to canals was examined using a truncated inverted cone model. C-factors in bonded root canals exhibit a negative correlation with sealer thickness. For a 20 mm-long canal prepared with a size 25 file, calculated C-factors ranged from 46 to 23,461 with decreasing sealer thickness (500-1 microm), compared to a C-factor of 32 when the canal was filled only with sealer. As the thickness of the adhesive is reduced, the volummetric shrinkage is reduced, which results in a reduction in shrinkage stress (S-factor). C-factors above 954 calculated with sealer thickness smaller than 25 microm are partially compensated by increases in bonding area and decreases in shrinkage volume. However, the interaction of these two geometrically related factors (C- and S-factors) predicts that bonding of adhesive root-filling materials to root canals is highly unfavorable when compared with indirect intracoronal restorations with a similar resin film thickness. PMID:16044041

  18. State-Selective Excitation of Quantum Systems via Geometrical Optimization.

    PubMed

    Chang, Bo Y; Shin, Seokmin; Sola, Ignacio R

    2015-09-01

    We lay out the foundations of a general method of quantum control via geometrical optimization. We apply the method to state-selective population transfer using ultrashort transform-limited pulses between manifolds of levels that may represent, e.g., state-selective transitions in molecules. Assuming that certain states can be prepared, we develop three implementations: (i) preoptimization, which implies engineering the initial state within the ground manifold or electronic state before the pulse is applied; (ii) postoptimization, which implies engineering the final state within the excited manifold or target electronic state, after the pulse; and (iii) double-time optimization, which uses both types of time-ordered manipulations. We apply the schemes to two important dynamical problems: To prepare arbitrary vibrational superposition states on the target electronic state and to select weakly coupled vibrational states. Whereas full population inversion between the electronic states only requires control at initial time in all of the ground vibrational levels, only very specific superposition states can be prepared with high fidelity by either pre- or postoptimization mechanisms. Full state-selective population inversion requires manipulating the vibrational coherences in the ground electronic state before the optical pulse is applied and in the excited electronic state afterward, but not during all times. PMID:26575896

  19. A geometric method for optimal design of color filter arrays.

    PubMed

    Hao, Pengwei; Li, Yan; Lin, Zhouchen; Dubois, Eric

    2011-03-01

    A color filter array (CFA) used in a digital camera is a mosaic of spectrally selective filters, which allows only one color component to be sensed at each pixel. The missing two components of each pixel have to be estimated by methods known as demosaicking. The demosaicking algorithm and the CFA design are crucial for the quality of the output images. In this paper, we present a CFA design methodology in the frequency domain. The frequency structure, which is shown to be just the symbolic DFT of the CFA pattern (one period of the CFA), is introduced to represent images sampled with any rectangular CFAs in the frequency domain. Based on the frequency structure, the CFA design involves the solution of a constrained optimization problem that aims at minimizing the demosaicking error. To decrease the number of parameters and speed up the parameter searching, the optimization problem is reformulated as the selection of geometric points on the boundary of a convex polygon or the surface of a convex polyhedron. Using our methodology, several new CFA patterns are found, which outperform the currently commercialized and published ones. Experiments demonstrate the effectiveness of our CFA design methodology and the superiority of our new CFA patterns. PMID:20858581

  20. Printability Optimization For Fine Pitch Solder Bonding

    SciTech Connect

    Kwon, Sang-Hyun; Lee, Chang-Woo; Yoo, Sehoon

    2011-01-17

    Effect of metal mask and pad design on solder printability was evaluated by DOE in this study. The process parameters were stencil thickness, squeegee angle, squeegee speed, mask separating speed, and pad angle of PCB. The main process parameters for printability were stencil thickness and squeegee angle. The response surface showed that maximum printability of 1005 chip was achieved at the stencil thickness of 0.12 mm while the maximum printability of 0603 and 0402 chip was obtained at the stencil thickness of 0.05 mm. The bonding strength of the MLCC chips was also directly related with the printability.

  1. Bond strength optimization between adherends with different curvatures

    SciTech Connect

    Randow, C.L.; Dillard, D.A.

    1996-12-31

    Due to the increasing use of adhesives in various industrial applications, the accurate prediction of bond behavior becomes more important. This information may also be used to optimize bond design. In particular, the following analysis focuses on bond geometries involving a curvature mismatch between adherends. For example, consider the profile view of a typical laminated counter-top. This involves bonding an initially flat adherend to a rigid substrate with a flat top, a curved corner of radius {rho}, and a flat landing at the bond edge. Questions arise regarding the behavior of the bond and how to optimize the design to minimize stresses resulting from the initially flat adherend being fixed to the rigid, curved substrate. The deflection of the adherend is modeled using beam on elastic foundation analysis. These results, which can be used to calculate peel stresses, are used to determine the optimal design of the laminated counter-top geometry as presented above. Experimental results are also correlated to the analytical solution.

  2. Communication: Ab initio simulations of hydrogen-bonded ferroelectrics: Collective tunneling and the origin of geometrical isotope effects

    SciTech Connect

    Wikfeldt, K. T.; Michaelides, A.

    2014-01-28

    Ab initio simulations that account for nuclear quantum effects have been used to examine the order-disorder transition in squaric acid, a prototypical H-bonded antiferroelectric crystal. Our simulations reproduce the >100 K difference in transition temperature observed upon deuteration as well as the strong geometrical isotope effect observed on intermolecular separations within the crystal. We find that collective transfer of protons along the H-bonding chains – facilitated by quantum mechanical tunneling – is critical to the order-disorder transition and the geometrical isotope effect. This sheds light on the origin of isotope effects and the importance of tunneling in squaric acid which likely extends to other H-bonded ferroelectrics.

  3. Optimization of the geometrical stability in square ring laser gyroscopes

    NASA Astrophysics Data System (ADS)

    Santagata, R.; Beghi, A.; Belfi, J.; Beverini, N.; Cuccato, D.; Di Virgilio, A.; Ortolan, A.; Porzio, A.; Solimeno, S.

    2015-03-01

    Ultra-sensitive ring laser gyroscopes are regarded as potential detectors of the general relativistic frame-dragging effect due to the rotation of the Earth. Our project for this goal is called GINGER (gyroscopes in general relativity), and consists of a ground-based triaxial array of ring lasers aimed at measuring the rotation rate of the Earth with an accuracy of {{10}-14} rad {{s}-1}. Such an ambitious goal is now within reach, as large-area ring lasers are very close to the required sensitivity and stability. However, demanding constraints on the geometrical stability of the optical path of the laser inside the ring cavity are required. Thus, we have begun a detailed study of the geometry of an optical cavity in order to find a control strategy for its geometry that could meet the specifications of the GINGER project. As the cavity perimeter has a stationary point for the square configuration, we identify a set of transformations on the mirror positions that allows us to adjust the laser beam steering to the shape of a square. We show that the geometrical stability of a square cavity strongly increases by implementing a suitable system to measure the mirror distances, and that the geometry stabilization can be achieved by measuring the absolute lengths of the two diagonals and the perimeter of the ring.

  4. Geometrical optimization of a local ballistic magnetic sensor

    SciTech Connect

    Kanda, Yuhsuke; Hara, Masahiro; Nomura, Tatsuya; Kimura, Takashi

    2014-04-07

    We have developed a highly sensitive local magnetic sensor by using a ballistic transport property in a two-dimensional conductor. A semiclassical simulation reveals that the sensitivity increases when the geometry of the sensor and the spatial distribution of the local field are optimized. We have also experimentally demonstrated a clear observation of a magnetization process in a permalloy dot whose size is much smaller than the size of an optimized ballistic magnetic sensor fabricated from a GaAs/AlGaAs two-dimensional electron gas.

  5. Geometric optimization of a neutron detector based on a lithium glass-polymer composite

    NASA Astrophysics Data System (ADS)

    Mayer, M.; Nattress, J.; Trivelpiece, C.; Jovanovic, I.

    2015-06-01

    We report on the simulation and optimization of a neutron detector based on a glass-polymer composite that achieves high gamma rejection. Lithium glass is embedded in polyvinyltoluene in three geometric forms: disks, rods, and spheres. Optimal shape, geometric configuration, and size of the lithium glass fragments are determined using Geant4 simulations. All geometrical configurations maintain an approximate 7% glass to polymer mass ratio. Results indicate a 125-mm diameter as the optimal detector size for initial prototype design achieving a 10% efficiency for the thermalization of incident fission neutrons from 252Cf. The geometrical features of a composite detector are shown to have little effect on the intrinsic neutron efficiency, but a significant effect on the gamma rejection is observed. The sphere geometry showed the best overall performance with an intrinsic neutron efficiency of approximately 6% with a gamma rejection better than 10-7 for 280-μm diameter spheres. These promising results provide a motivation for prototype composite detector development based on the simulated designs.

  6. Effects of geometric nonlinearities on the response of optimized box beam structures

    NASA Technical Reports Server (NTRS)

    Ragon, S.; Gurdal, Z.

    1993-01-01

    The present minimum-mass designs for a two-spar rectangular box beam were derived on the basis of linear-buckling FEM analysis constraints. In order to ascertain the effects of any geometric nonlinearities on these designs, each was subjected to a geometrically nonlinear FEM analysis. In all cases, the structure collapses below the design load, and does so in a mode which differs from that of linear theory. This discrepancy is attributable to such nonlinear panel-interaction mechanisms as rib-crusing loads. The optimized design is highly sensitive to crushing loads, relative to the nonoptimal design.

  7. Optimal design of an automotive magnetorheological brake considering geometric dimensions and zero-field friction heat

    NASA Astrophysics Data System (ADS)

    Nguyen, Q. H.; Choi, S. B.

    2010-11-01

    This paper presents an optimal design of a magnetorheological (MR) brake for a middle-sized passenger car which can replace a conventional hydraulic disc-type brake. In the optimization, the required braking torque, the temperature due to zero-field friction of MR fluid, the mass of the brake system and all significant geometric dimensions are considered. After describing the configuration, the braking torque of the proposed MR brake is derived on the basis of the field-dependent Bingham and Herschel-Bulkley rheological model of the MR fluid. The optimal design of the MR brake is then analyzed taking into account available space, mass, braking torque and steady heat generated by zero-field friction torque of the MR brake. The optimization procedure based on the finite element analysis integrated with an optimization tool is proposed to obtain optimal geometric dimensions of the MR brake. Based on the proposed procedure, optimal solutions of single and multiple disc-type MR brakes featuring different types of MR fluid are achieved. From the results, the most effective MR brake for the middle-sized passenger car is identified and some discussions on the performance improvement of the optimized MR brake are described.

  8. Geometric versus numerical optimal control of a dissipative spin-(1/2) particle

    SciTech Connect

    Lapert, M.; Sugny, D.; Zhang, Y.; Braun, M.; Glaser, S. J.

    2010-12-15

    We analyze the saturation of a nuclear magnetic resonance (NMR) signal using optimal magnetic fields. We consider both the problems of minimizing the duration of the control and its energy for a fixed duration. We solve the optimal control problems by using geometric methods and a purely numerical approach, the grape algorithm, the two methods being based on the application of the Pontryagin maximum principle. A very good agreement is obtained between the two results. The optimal solutions for the energy-minimization problem are finally implemented experimentally with available NMR techniques.

  9. A Wafer-Bonded, Floating Element Shear-Stress Sensor Using a Geometric Moire Optical Transduction Technique

    NASA Technical Reports Server (NTRS)

    Horowitz, Stephen; Chen, Tai-An; Chandrasekaran, Venkataraman; Tedjojuwono, Ken; Cattafesta, Louis; Nishida, Toshikazu; Sheplak, Mark

    2004-01-01

    This paper presents a geometric Moir optical-based floating-element shear stress sensor for wind tunnel turbulence measurements. The sensor was fabricated using an aligned wafer-bond/thin-back process producing optical gratings on the backside of a floating element and on the top surface of the support wafer. Measured results indicate a static sensitivity of 0.26 microns/Pa, a resonant frequency of 1.7 kHz, and a noise floor of 6.2 mPa/(square root)Hz.

  10. Optimization of the Geometric Phase Sensitivity of an Array of Atom Ring Interferometers

    NASA Astrophysics Data System (ADS)

    Sandoval-Sanchez, Karina; Campo, Christian; Rivera, Tabitha; Toland, John

    2015-05-01

    Sagnac, and Aharonov-Bohm phase shifts are important geometric phase shifts in atom interferometry. These phase shifts characterize rotational and magnetic field interference effects respectively. Theoretical explorations have shown that a series of ring interferometers can be connected in series to increase the sensitivity of the overall device while keeping the maximum path separation less than the coherence length of the atoms. It has also been shown that the application of an area chirp to the rings will further enhance the sensitivity of the array of rings to geometric phase shifts. Area chirp refers to characterizing all of the rings in the array to a fixed percentage of a reference ring, this allows for the phase shifts in each ring to be characterized by one ring. The goal of this project is to determine a set of parameters namely kL, the product of the ring circumference and the wave number and γ, the chirp factor for the area chirp, that optimize the geometric phase sensitivity for an array of N rings. We model the transmission coefficient of a quantum matter wave through an area chirped array of interferometers as a function of phase, using transfer matrices to represent the transmission and reflection of individual rings in the array. Isolated transmission resonances represent the domain of interest, these are regions of high phase sensitivity. After optimizing a ring array without loss we apply velocity broadening to the input matter waves to investigate a more realistic output.

  11. Inverse plan optimization accounting for random geometric uncertainties with a multiple instance geometry approximation (MIGA)

    SciTech Connect

    McShan, D.L.; Kessler, M.L.; Vineberg, K.; Fraass, B.A.

    2006-05-15

    Radiotherapy treatment plans that are optimized to be highly conformal based on a static patient geometry can be degraded by setup errors and/or intratreatment motion, particularly for IMRT plans. To achieve improved plans in the face of geometrical uncertainties, direct simulation of multiple instances of the patient anatomy (to account for setup and/or motion uncertainties) is used within the inverse planning process. This multiple instance geometry approximation (MIGA) method uses two or more instances of the patient anatomy and optimizes a single beam arrangement for all instances concurrently. Each anatomical instance can represent expected extremes or a weighted distribution of geometries. The current implementation supports mapping between instances that include distortions, but this report is limited to the use of rigid body translations/rotations. For inverse planning, the method uses beamlet dose calculations for each instance, with the resulting doses combined using a weighted sum of the results for the multiple instances. Beamlet intensities are then optimized using the inverse planning system based on the cost for the composite dose distribution. MIGA can simulate various types of geometrical uncertainties, including random setup error and intratreatment motion. A limited number of instances are necessary to simulate Gaussian-distributed errors. IMRT plans optimized using MIGA show significantly less degradation in the face of geometrical errors, and are robust to the expected (simulated) motions. Results for a complex head/neck plan involving multiple target volumes and numerous normal structures are significantly improved when the MIGA method of inverse planning is used. Inverse planning using MIGA can lead to significant improvements over the use of simple PTV volume expansions for inclusion of geometrical uncertainties into inverse planning, since it can account for the correlated motions of the entire anatomical representation. The optimized plan

  12. Automated reconstruction of dendritic and axonal trees by global optimization with geometric priors.

    PubMed

    Türetken, Engin; González, Germán; Blum, Christian; Fua, Pascal

    2011-09-01

    We present a novel probabilistic approach to fully automated delineation of tree structures in noisy 2D images and 3D image stacks. Unlike earlier methods that rely mostly on local evidence, ours builds a set of candidate trees over many different subsets of points likely to belong to the optimal tree and then chooses the best one according to a global objective function that combines image evidence with geometric priors. Since the best tree does not necessarily span all the points, the algorithm is able to eliminate false detections while retaining the correct tree topology. Manually annotated brightfield micrographs, retinal scans and the DIADEM challenge datasets are used to evaluate the performance of our method. We used the DIADEM metric to quantitatively evaluate the topological accuracy of the reconstructions and showed that the use of the geometric regularization yields a substantial improvement. PMID:21573886

  13. Implementation and Optimization of miniGMG - a Compact Geometric Multigrid Benchmark

    SciTech Connect

    Williams, Samuel; Kalamkar, Dhiraj; Singh, Amik; Deshpande, Anand M.; Straalen, Brian Van; Smelyanskiy, Mikhail; Almgren, Ann; Dubey, Pradeep; Shalf, John; Oliker, Leonid

    2012-12-01

    Multigrid methods are widely used to accelerate the convergence of iterative solvers for linear systems used in a number of different application areas. In this report, we describe miniGMG, our compact geometric multigrid benchmark designed to proxy the multigrid solves found in AMR applications. We explore optimization techniques for geometric multigrid on existing and emerging multicore systems including the Opteron-based Cray XE6, Intel Sandy Bridge and Nehalem-based Infiniband clusters, as well as manycore-based architectures including NVIDIA's Fermi and Kepler GPUs and Intel's Knights Corner (KNC) co-processor. This report examines a variety of novel techniques including communication-aggregation, threaded wavefront-based DRAM communication-avoiding, dynamic threading decisions, SIMDization, and fusion of operators. We quantify performance through each phase of the V-cycle for both single-node and distributed-memory experiments and provide detailed analysis for each class of optimization. Results show our optimizations yield significant speedups across a variety of subdomain sizes while simultaneously demonstrating the potential of multi- and manycore processors to dramatically accelerate single-node performance. However, our analysis also indicates that improvements in networks and communication will be essential to reap the potential of manycore processors in large-scale multigrid calculations.

  14. Light scattering measurements for quantifying biological cell concentration: an optimization of opto-geometric parameters

    NASA Astrophysics Data System (ADS)

    Mignani, A. G.; Ciaccheri, L.; Mencaglia, A. A.; Giannelli, L.

    2011-05-01

    An experimental study was carried out, aimed at optimizing the optical/geometrical configuration for measuring the concentration of biological cells by means of static light scattering measurements. A LED-based optoelectronic setup making use of optical fibers was experimented, as the precursor of a low-cost device to be integrated in instrumentation for cytometry. Two biological sample types were considered as test samples of the most popular analyses - cervical cells and urine, respectively. The most suitable wavelengths and detecting angles were identified, and calibration curves were calculated.

  15. Light scattering measurements for quantifying biological cell concentration: an optimization of opto-geometric parameters

    NASA Astrophysics Data System (ADS)

    Mignani, A. G.; Ciaccheri, L.; Giannelli, L.; Mencaglia, A. A.

    2012-03-01

    An experimental study was carried out, aimed at optimizing the optical/geometrical configuration for measuring the concentration of biological cells by means of static light scattering measurements. A LED-based optoelectronic setup making use of optical fibers was experimented, as the precursor of a low-cost device to be integrated in instrumentation for cytometry. Two biological sample types were considered as test samples of the most popular analyses - cervical cells and urine, respectively. The most suitable wavelengths and detecting angles were identified, and calibration curves were calculated.

  16. Novel tools for stepping source brachytherapy treatment planning: Enhanced geometrical optimization and interactive inverse planning

    SciTech Connect

    Dinkla, Anna M. Laarse, Rob van der; Koedooder, Kees; Petra Kok, H.; Wieringen, Niek van; Pieters, Bradley R.; Bel, Arjan

    2015-01-15

    Purpose: Dose optimization for stepping source brachytherapy can nowadays be performed using automated inverse algorithms. Although much quicker than graphical optimization, an experienced treatment planner is required for both methods. With automated inverse algorithms, the procedure to achieve the desired dose distribution is often based on trial-and-error. Methods: A new approach for stepping source prostate brachytherapy treatment planning was developed as a quick and user-friendly alternative. This approach consists of the combined use of two novel tools: Enhanced geometrical optimization (EGO) and interactive inverse planning (IIP). EGO is an extended version of the common geometrical optimization method and is applied to create a dose distribution as homogeneous as possible. With the second tool, IIP, this dose distribution is tailored to a specific patient anatomy by interactively changing the highest and lowest dose on the contours. Results: The combined use of EGO–IIP was evaluated on 24 prostate cancer patients, by having an inexperienced user create treatment plans, compliant to clinical dose objectives. This user was able to create dose plans of 24 patients in an average time of 4.4 min/patient. An experienced treatment planner without extensive training in EGO–IIP also created 24 plans. The resulting dose-volume histogram parameters were comparable to the clinical plans and showed high conformance to clinical standards. Conclusions: Even for an inexperienced user, treatment planning with EGO–IIP for stepping source prostate brachytherapy is feasible as an alternative to current optimization algorithms, offering speed, simplicity for the user, and local control of the dose levels.

  17. Parametric geometric model and shape optimization of an underwater glider with blended-wing-body

    NASA Astrophysics Data System (ADS)

    Sun, Chunya; Song, Baowei; Wang, Peng

    2015-11-01

    Underwater glider, as a new kind of autonomous underwater vehicles, has many merits such as long-range, extended-duration and low costs. The shape of underwater glider is an important factor in determining the hydrodynamic efficiency. In this paper, a high lift to drag ratio configuration, the Blended-Wing-Body (BWB), is used to design a small civilian under water glider. In the parametric geometric model of the BWB underwater glider, the planform is defined with Bezier curve and linear line, and the section is defined with symmetrical airfoil NACA 0012. Computational investigations are carried out to study the hydrodynamic performance of the glider using the commercial Computational Fluid Dynamics (CFD) code Fluent. The Kriging-based genetic algorithm, called Efficient Global Optimization (EGO), is applied to hydrodynamic design optimization. The result demonstrates that the BWB underwater glider has excellent hydrodynamic performance, and the lift to drag ratio of initial design is increased by 7% in the EGO process.

  18. An optimal hydrogen-bond surrogate for α-helices.

    PubMed

    Joy, Stephen T; Arora, Paramjit S

    2016-04-14

    Substitution of a main chain i → i + 4 hydrogen bond with a covalent bond can nucleate and stabilize the α-helical conformation in peptides. Herein we describe the potential of different alkene isosteres to mimic intramolecular hydrogen bonds and stabilize α-helices in diverse peptide sequences. PMID:27046675

  19. Geometric Integrators for Higher-Order Variational Systems and Their Application to Optimal Control

    NASA Astrophysics Data System (ADS)

    Colombo, Leonardo; Ferraro, Sebastián; Martín de Diego, David

    2016-07-01

    Numerical methods that preserve geometric invariants of the system, such as energy, momentum or the symplectic form, are called geometric integrators. In this paper we present a method to construct symplectic-momentum integrators for higher-order Lagrangian systems. Given a regular higher-order Lagrangian L:T^{(k)}Q→ R with k≥ 1 , the resulting discrete equations define a generally implicit numerical integrator algorithm on T^{(k-1)}Q× T^{(k-1)}Q that approximates the flow of the higher-order Euler-Lagrange equations for L. The algorithm equations are called higher-order discrete Euler-Lagrange equations and constitute a variational integrator for higher-order mechanical systems. The general idea for those variational integrators is to directly discretize Hamilton's principle rather than the equations of motion in a way that preserves the invariants of the original system, notably the symplectic form and, via a discrete version of Noether's theorem, the momentum map. We construct an exact discrete Lagrangian L_d^e using the locally unique solution of the higher-order Euler-Lagrange equations for L with boundary conditions. By taking the discrete Lagrangian as an approximation of L_d^e , we obtain variational integrators for higher-order mechanical systems. We apply our techniques to optimal control problems since, given a cost function, the optimal control problem is understood as a second-order variational problem.

  20. Geometric-attributes-based segmentation of cortical bone slides using optimized neural networks.

    PubMed

    Hage, Ilige S; Hamade, Ramsey F

    2016-05-01

    In cortical bone, solid (lamellar and interstitial) matrix occupies space left over by porous microfeatures such as Haversian canals, lacunae, and canaliculi-containing clusters. In this work, pulse-coupled neural networks (PCNN) were used to automatically distinguish the microfeatures present in histology slides of cortical bone. The networks' parameters were optimized using particle swarm optimization (PSO). When forming the fitness functions for the PSO, we considered the microfeatures' geometric attributes-namely, their size (based on measures of elliptical perimeter or area), shape (based on measures of compactness or the ratio of minor axis length to major axis length), and a two-way combination of these two geometric attributes. This hybrid PCNN-PSO method was further enhanced for pulse evaluation by combination with yet another method, adaptive threshold (AT), where the PCNN algorithm is repeated until the best threshold is found corresponding to the maximum variance between two segmented regions. Together, this framework of using PCNN-PSO-AT constitutes, we believe, a novel framework in biomedical imaging. Using this framework and extracting microfeatures from only one training image, we successfully extracted microfeatures from other test images. The high fidelity of all resultant segments was established using quantitative metrics such as precision, specificity, and Dice indices. PMID:26104115

  1. Joining of Silicon Carbide: Diffusion Bond Optimization and Characterization

    NASA Technical Reports Server (NTRS)

    Halbig, Michael C.; Singh, Mrityunjay

    2008-01-01

    Joining and integration methods are critically needed as enabling technologies for the full utilization of advanced ceramic components in aerospace and aeronautics applications. One such application is a lean direct injector for a turbine engine to achieve low NOx emissions. In the application, several SiC substrates with different hole patterns to form fuel and combustion air channels are bonded to form the injector. Diffusion bonding is a joining approach that offers uniform bonds with high temperature capability, chemical stability, and high strength. Diffusion bonding was investigated with the aid of titanium foils and coatings as the interlayer between SiC substrates to aid bonding. The influence of such variables as interlayer type, interlayer thickness, substrate finish, and processing time were investigated. Optical microscopy, scanning electron microscopy, and electron microprobe analysis were used to characterize the bonds and to identify the reaction formed phases.

  2. Macronutrient Optimization and Seasonal Diet Mixing in a Large Omnivore, the Grizzly Bear: A Geometric Analysis

    PubMed Central

    Coogan, Sean C. P.; Raubenheimer, David; Stenhouse, Gordon B.; Nielsen, Scott E.

    2014-01-01

    Nutrient balance is a strong determinant of animal fitness and demography. It is therefore important to understand how the compositions of available foods relate to required balance of nutrients and habitat suitability for animals in the wild. These relationships are, however, complex, particularly for omnivores that often need to compose balanced diets by combining their intake from diverse nutritionally complementary foods. Here we apply geometric models to understand how the nutritional compositions of foods available to an omnivorous member of the order Carnivora, the grizzly bear (Ursus arctos L.), relate to optimal macronutrient intake, and assess the seasonal nutritional constraints on the study population in west-central Alberta, Canada. The models examined the proportion of macronutrients that bears could consume by mixing their diet from food available in each season, and assessed the extent to which bears could consume the ratio of protein to non-protein energy previously demonstrated using captive bears to optimize mass gain. We found that non-selective feeding on ungulate carcasses provided a non-optimal macronutrient balance with surplus protein relative to fat and carbohydrate, reflecting adaptation to an omnivorous lifestyle, and that optimization through feeding selectively on different tissues of ungulate carcasses is unlikely. Bears were, however, able to dilute protein intake to an optimal ratio by mixing their otherwise high-protein diet with carbohydrate-rich fruit. Some individual food items were close to optimally balanced in protein to non-protein energy (e.g. Hedysarum alpinum roots), which may help explain their dietary prevalence. Ants may be consumed particularly as a source of lipids. Overall, our analysis showed that most food available to bears in the study area were high in protein relative to lipid or carbohydrate, suggesting the lack of non-protein energy limits the fitness (e.g. body size and reproduction) and population density

  3. Macronutrient optimization and seasonal diet mixing in a large omnivore, the grizzly bear: a geometric analysis.

    PubMed

    Coogan, Sean C P; Raubenheimer, David; Stenhouse, Gordon B; Nielsen, Scott E

    2014-01-01

    Nutrient balance is a strong determinant of animal fitness and demography. It is therefore important to understand how the compositions of available foods relate to required balance of nutrients and habitat suitability for animals in the wild. These relationships are, however, complex, particularly for omnivores that often need to compose balanced diets by combining their intake from diverse nutritionally complementary foods. Here we apply geometric models to understand how the nutritional compositions of foods available to an omnivorous member of the order Carnivora, the grizzly bear (Ursus arctos L.), relate to optimal macronutrient intake, and assess the seasonal nutritional constraints on the study population in west-central Alberta, Canada. The models examined the proportion of macronutrients that bears could consume by mixing their diet from food available in each season, and assessed the extent to which bears could consume the ratio of protein to non-protein energy previously demonstrated using captive bears to optimize mass gain. We found that non-selective feeding on ungulate carcasses provided a non-optimal macronutrient balance with surplus protein relative to fat and carbohydrate, reflecting adaptation to an omnivorous lifestyle, and that optimization through feeding selectively on different tissues of ungulate carcasses is unlikely. Bears were, however, able to dilute protein intake to an optimal ratio by mixing their otherwise high-protein diet with carbohydrate-rich fruit. Some individual food items were close to optimally balanced in protein to non-protein energy (e.g. Hedysarum alpinum roots), which may help explain their dietary prevalence. Ants may be consumed particularly as a source of lipids. Overall, our analysis showed that most food available to bears in the study area were high in protein relative to lipid or carbohydrate, suggesting the lack of non-protein energy limits the fitness (e.g. body size and reproduction) and population density

  4. Geometric optimization of helical tail designs to calibrate swimming velocities of microswimmers

    NASA Astrophysics Data System (ADS)

    Demir, Ebru; Yesilyurt, Serhat

    2014-11-01

    Artificial microswimmers present both a solution and a challenge as alternative tools to be used in medical applications, namely, drug delivery and minimally invasive surgeries. Achieving desired amount of controlled displacement of microswimmers at desired velocities plays an important role in determining the success of such applications. In this study, a non-dimensionalised CFD model is utilised to investigate the effects of various geometrical parameters on swimming velocities of microswimmers with helical tails in cylindrical confinements, such as helix wavelength, helical body thickness, and diameter. To this end, a ``one wavelength long'' helical tail is placed inside a cylindrical channel of the same length with periodic boundary conditions applied to both ends, constituting an infinite helix model. As the channel diameter is kept constant, a parametric study of abovementioned geometric identities is conducted to observe the change in the swimming velocities. Furthermore, effects of helix-channel eccentricity and helix rotation about the longitudinal axis on swimming velocity of a dimensionally optimized helix are investigated to reveal near wall effects. The results are found to be in good agreement with the theoretical models existing in the literature.

  5. Riemannian geometric approach to human arm dynamics, movement optimization, and invariance

    NASA Astrophysics Data System (ADS)

    Biess, Armin; Flash, Tamar; Liebermann, Dario G.

    2011-03-01

    We present a generally covariant formulation of human arm dynamics and optimization principles in Riemannian configuration space. We extend the one-parameter family of mean-squared-derivative (MSD) cost functionals from Euclidean to Riemannian space, and we show that they are mathematically identical to the corresponding dynamic costs when formulated in a Riemannian space equipped with the kinetic energy metric. In particular, we derive the equivalence of the minimum-jerk and minimum-torque change models in this metric space. Solutions of the one-parameter family of MSD variational problems in Riemannian space are given by (reparametrized) geodesic paths, which correspond to movements with least muscular effort. Finally, movement invariants are derived from symmetries of the Riemannian manifold. We argue that the geometrical structure imposed on the arm’s configuration space may provide insights into the emerging properties of the movements generated by the motor system.

  6. Whole cell tracking through the optimal control of geometric evolution laws

    NASA Astrophysics Data System (ADS)

    Blazakis, Konstantinos N.; Madzvamuse, Anotida; Reyes-Aldasoro, Constantino Carlos; Styles, Vanessa; Venkataraman, Chandrasekhar

    2015-09-01

    Cell tracking algorithms which automate and systematise the analysis of time lapse image data sets of cells are an indispensable tool in the modelling and understanding of cellular phenomena. In this study we present a theoretical framework and an algorithm for whole cell tracking. Within this work we consider that "tracking" is equivalent to a dynamic reconstruction of the whole cell data (morphologies) from static image data sets. The novelty of our work is that the tracking algorithm is driven by a model for the motion of the cell. This model may be regarded as a simplification of a recently developed physically meaningful model for cell motility. The resulting problem is the optimal control of a geometric evolution law and we discuss the formulation and numerical approximation of the optimal control problem. The overall goal of this work is to design a framework for cell tracking within which the recovered data reflects the physics of the forward model. A number of numerical simulations are presented that illustrate the applicability of our approach.

  7. Geometrical Optimization Of Clinch Forming Process Using The Response Surface Method

    SciTech Connect

    Oudjene, M.; Ben-Ayed, L.; Batoz, J.-L.

    2007-05-17

    The determination of optimum tool shapes in clinch forming process is needed to achieve the required high quality of clinch joints. The design of the tools (punch and die) is crucial since the strength of the clinch joints is closely correlated to the tools geometry. To increase the strength of clinch joints, an automatic optimization procedure is developed. The objective function is defined in terms of the maximum value of the tensile force, obtained by separation of the sheets. Feasibility constraints on the geometrical parameters are also taken into account. First, a Python Script is used to generate the ABAQUS finite element model, to run the computations and post-process results, which are exported in an ASCII file. Then, this ASCII file is read by a FORTRAN program, in which the response surface approximation and SQP algorithm are implemented. The results show the potential interest of the developed optimization procedure towards the improvement of the strength of the clinch forming joints to tensile loading.

  8. Integrated multidisciplinary design optimization using discrete sensitivity analysis for geometrically complex aeroelastic configurations

    NASA Astrophysics Data System (ADS)

    Newman, James Charles, III

    1997-10-01

    The first two steps in the development of an integrated multidisciplinary design optimization procedure capable of analyzing the nonlinear fluid flow about geometrically complex aeroelastic configurations have been accomplished in the present work. For the first step, a three-dimensional unstructured grid approach to aerodynamic shape sensitivity analysis and design optimization has been developed. The advantage of unstructured grids, when compared with a structured-grid approach, is their inherent ability to discretize irregularly shaped domains with greater efficiency and less effort. Hence, this approach is ideally suited for geometrically complex configurations of practical interest. In this work the time-dependent, nonlinear Euler equations are solved using an upwind, cell-centered, finite-volume scheme. The discrete, linearized systems which result from this scheme are solved iteratively by a preconditioned conjugate-gradient-like algorithm known as GMRES for the two-dimensional cases and a Gauss-Seidel algorithm for the three-dimensional; at steady-state, similar procedures are used to solve the accompanying linear aerodynamic sensitivity equations in incremental iterative form. As shown, this particular form of the sensitivity equation makes large-scale gradient-based aerodynamic optimization possible by taking advantage of memory efficient methods to construct exact Jacobian matrix-vector products. Various surface parameterization techniques have been employed in the current study to control the shape of the design surface. Once this surface has been deformed, the interior volume of the unstructured grid is adapted by considering the mesh as a system of interconnected tension springs. Grid sensitivities are obtained by differentiating the surface parameterization and the grid adaptation algorithms with ADIFOR, an advanced automatic-differentiation software tool. To demonstrate the ability of this procedure to analyze and design complex configurations of

  9. Geometrical criteria versus quantum chemical criteria for assessment of intramolecular hydrogen bond (IMHB) interaction: A computational comparison into the effect of chlorine substitution on IMHB of salicylic acid in its lowest energy ground state conformer

    NASA Astrophysics Data System (ADS)

    Paul, Bijan Kumar; Guchhait, Nikhil

    2013-02-01

    Density functional theory based computational study has been performed to characterize intramolecular hydrogen bonding (IMHB) interaction in a series of salicylic acid derivatives varying in chlorine substitution on the benzene ring. The molecular systems studied are salicylic acid, 5-chlorosalicylic acid, 3,5-dichlorosalicylic acid and 3,5,6-tricholorosalicylic acid. Major emphasis is rendered on the analysis of IMHB interaction by calculation of electron density ρ(r) and Laplacian ∇2ρ(r) at the bond critical point using atoms-in-molecule theory. Topological features, energy densities based on ρ(r) through perturbing the intramolecular H-bond distances suggest that at equilibrium geometry the IMHB interaction develops certain characteristics typical of covalent interaction. The interplay between aromaticity and resonance-assisted hydrogen bonding (RAHB) is discussed using both geometrical and magnetic criteria as the descriptors of aromaticity. The optimized geometry features, molecular electrostatic potential map analysis are also found to produce a consensus view in relation with the formation of RAHB in these systems.

  10. Performance improvement for optimization of the non-linear geometric fitting problem in manufacturing metrology

    NASA Astrophysics Data System (ADS)

    Moroni, Giovanni; Syam, Wahyudin P.; Petrò, Stefano

    2014-08-01

    Product quality is a main concern today in manufacturing; it drives competition between companies. To ensure high quality, a dimensional inspection to verify the geometric properties of a product must be carried out. High-speed non-contact scanners help with this task, by both speeding up acquisition speed and increasing accuracy through a more complete description of the surface. The algorithms for the management of the measurement data play a critical role in ensuring both the measurement accuracy and speed of the device. One of the most fundamental parts of the algorithm is the procedure for fitting the substitute geometry to a cloud of points. This article addresses this challenge. Three relevant geometries are selected as case studies: a non-linear least-squares fitting of a circle, sphere and cylinder. These geometries are chosen in consideration of their common use in practice; for example the sphere is often adopted as a reference artifact for performance verification of a coordinate measuring machine (CMM) and a cylinder is the most relevant geometry for a pin-hole relation as an assembly feature to construct a complete functioning product. In this article, an improvement of the initial point guess for the Levenberg-Marquardt (LM) algorithm by employing a chaos optimization (CO) method is proposed. This causes a performance improvement in the optimization of a non-linear function fitting the three geometries. The results show that, with this combination, a higher quality of fitting results a smaller norm of the residuals can be obtained while preserving the computational cost. Fitting an ‘incomplete-point-cloud’, which is a situation where the point cloud does not cover a complete feature e.g. from half of the total part surface, is also investigated. Finally, a case study of fitting a hemisphere is presented.

  11. Geometric optimization of self-healing power capacitor with consideration of multiple factors

    NASA Astrophysics Data System (ADS)

    Wang, Zijian; Yan, Fei; Hua, Zheng; Qi, Lingna; Hou, Zhijian; Xu, Zhiniu

    2016-08-01

    To decrease temperature rise in self-healing power capacitor and lay foundation for improvement of applied voltage and lifetime, the influence of elements orientation on the temperature distribution of self-healing capacitor is investigated using Fluent15.0 and validated by thermal stability test. Based on the above investigations, the influences of parameters of film, electrode and element on power loss and temperature rise of capacitor are systematically investigated. The results reveal that if geometry and volume of capacitor remain constant, orientation of spray coating has little influence on temperature rise. In view of manufacturing processes, the mode of spray coating close to the large surface should be selected. The power loss will decrease with increasing/decreasing in film thickness/width. Therefore, thicker film should be selected and its width should be less than 75 mm. Temperature rise decreases slowly with element diameter. However, the element diameter should be a moderate value because of the influence of it on the number of self-healing point. A capacitor group with rated voltage of 11/ √{ 3} kV and capacity of 334 kvar is designed and the scheme with the lowest temperature rise is selected. This study provides a reference to self-healing capacitor geometric optimization and lifetime improvement.

  12. Optimization of laser-assisted glass frit bonding process by response surface methodology

    NASA Astrophysics Data System (ADS)

    Wang, Wen; Xiao, Yanyi; Wu, Xingyang; Zhang, Jianhua

    2016-03-01

    In this work, a systematic study on laser-assisted glass frit bonding process was carried out by response surface methodology (RSM). Laser power, sealing speed and spot diameter were considered as key bonding parameters. Combined with a central rotatable experimental design, RSM was employed to establish mathematical model to predict the relationship between the shear force after bonding and the bonding process parameters. The model was validated experimentally. Based on the model, the interaction effects of the process parameters on the shear force were analyzed and the optimum bonding parameters were achieved. The results indicate that the model can be used to illustrate the relationship between the shear force and the bonding parameters. The predicted results obtained under the optimized parameters by the models are consistent with the experimental results.

  13. Geometric and electronic structure of mixed metal-semiconductor clusters from global optimization.-

    NASA Astrophysics Data System (ADS)

    Hagelberg, Frank; Wu, Jianhua

    2006-03-01

    In addition to pure metal and semiconductor clusters, hybrid species that contain both types of constituents occur at the metal-semiconductor interface. Thus, clusters of the form Cu(x)Si(y) were detected by mass spectrometry [1]. In this contribution, the geometric and energetic features of Me(m)Si(7-m) (Me=Cu and Li) clusters are discussed. The choice of these systems is motivated by the structural similarity of the pure Si(7), Li(7), and Cu(7) systems which all stabilize in D(5h) symmetry. On the other hand, Li and Cu, representing the alkali group (IA) and the noble metal group (IB) of the periodic system, are expected to display strongly differing behavior when integrated into a Si(n) cluster, resulting in different ground state geometries for the cases Me = Li and Me = Cu. Addressing this problem by means of geometry optimization requires, in view of the large number of possible atomic permutations for Me(m)Si(7-m) with 0 < m < 7, the use of a global search algorithm. Equilibrium geometries are obtained by simulated annealing within the Nose' thermostat frame. It is observed that Cu(m)Si(7-m) clusters with m < 6 tend towards ground state geometries derived from the D(5h) prototype. For Li(m)Si(7-m), the Li(m) subsystem is found to adsorb on the framework of the Si(7-m) dianion. [1] J.J. Scherer, J.B. Pau, C.P. Collier, A. O'Keefe, and R.J. Saykally, J. Chem. Phys. 103, 9187 (1995).

  14. Optimization approach for the evaluation of geometric errors in computer-aided inspection

    NASA Astrophysics Data System (ADS)

    Jiang, Guohua

    Geometric dimensioning and tolerancing (GD&T) is a set of standards that defines a clear and concise mathematical language for communicating product definition. A design based on GD&T clearly reflects the functional requirements of a product, provides unique definition of a drawing among design, manufacturing and inspection engineers and conveys the design intention clearly without any ambiguity. The latest version of this standard is ASME Y14.5M-1994. Traditional methods for the inspection of geometric tolerances have been mostly with the use of functional gages and Coordinate Measuring Machines (CMM). Function gages are very expensive and only provide a yes/no result. CMMs have embedded algorithms to verify geometric tolerances according to the design specification. However, it has been shown that these embedded algorithms neither provide accurate evaluation of geometric errors nor do they conform to the ASME standards. High accuracy requirements in the manufacture of precision parts with complex geometries have made accurate evaluation and verification of geometric tolerances very critical. Over the years, researchers have developed many algorithms to evaluate some of the geometric errors. However, there is still a significant lack of evaluation procedures for complex geometric errors. In this dissertation, mathematical models have been built for the evaluation of a certain set of complex geometric characteristics. The concentration has been on the evaluation of 3D feature relating positional error, cylindricity error and straightness error of spatial line. Research has been carried out to understand the mathematical natures of these problems. Based on the research results, efficient solution methodologies have been developed according to the ASME standards. A robust and efficient procedure has also been developed for the identification of candidate datum sets. The proposed procedures have been implemented using the C++ or C programming language. Experimental

  15. An optimization-based method for geometrical calibration in cone-beam CT without dedicated phantoms

    NASA Astrophysics Data System (ADS)

    Panetta, D.; Belcari, N.; DelGuerra, A.; Moehrs, S.

    2008-07-01

    In this paper we present a new method for the determination of geometrical misalignments in cone-beam CT scanners, from the analysis of the projection data of a generic object. No a priori knowledge of the object shape and positioning is required. We show that a cost function, which depends on the misalignment parameters, can be defined using the projection data and that such a cost function has a local minimum in correspondence to the actual parameters of the system. Hence, the calibration of the scanner can be carried out by minimizing the cost function using standard optimization techniques. The method is developed for a particular class of 3D object functions, for which the redundancy of the fan beam sinogram in the transaxial midplane can be extended to cone-beam projection data, even at wide cone angles. The method has an approximated validity for objects which do not belong to that class; in that case, a suitable subset of the projection data can be selected in order to compute the cost function. We show by numerical simulations that our method is capable to determine with high accuracy the most critical misalignment parameters of the scanner, i.e., the transversal shift and the skew of the detector. Additionally, the detector slant can be determined. Other parameters such as the detector tilt, the longitudinal shift and the error in the source-detector distance cannot be determined with our method, as the proposed cost function has a very weak dependence on them. However, due to the negligible influence of these latter parameters in the reconstructed image quality, they can be kept fixed at estimated values in both calibration and reconstruction processes without compromising the final result. A trade-off between computational cost and calibration accuracy must be considered when choosing the data subset used for the computation of the cost function. Results on real data of a mouse femur as obtained with a small animal micro-CT are shown as well, proving

  16. Optimized Cu-Sn Wafer-Level Bonding Using Intermetallic Phase Characterization

    NASA Astrophysics Data System (ADS)

    Luu, Thi-Thuy; Duan, Ani; Aasmundtveit, Knut E.; Hoivik, Nils

    2013-12-01

    The objective of this study is to optimize the Cu/Sn solid-liquid interdiffusion process for wafer-level bonding applications. To optimize the temperature profile of the bonding process, the formation of intermetallic compounds (IMCs) which takes place during the bonding process needs to be well understood and characterized. In this study, a simulation model for the development of IMCs and the unreacted remaining Sn thickness as a function of the bonding temperature profile was developed. With this accurate simulation model, we are able to predict the parameters which are critical for bonding process optimization. The initial characterization focuses on a kinetics model of the Cu3Sn thickness growth and the amount of Sn thickness that reacts with Cu to form IMCs. As-plated Cu/Sn samples were annealed using different temperatures (150°C to 300°C) and durations (0 min to 320 min). The kinetics model is then extracted from the measured thickness of IMCs of the annealed samples.

  17. Radiation model for row crops: I. Geometric view factors and parameter optimization

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Row crops with partial cover result in different radiation partitioning to the soil and canopy compared with full cover; however, methods to account for partial cover have not been adequately investigated. The objectives of this study were to: (i) develop geometric view factors to account for the sp...

  18. Optimization of Stability Constrained Geometrically Nonlinear Shallow Trusses Using an Arc Length Sparse Method with a Strain Energy Density Approach

    NASA Technical Reports Server (NTRS)

    Hrinda, Glenn A.; Nguyen, Duc T.

    2008-01-01

    A technique for the optimization of stability constrained geometrically nonlinear shallow trusses with snap through behavior is demonstrated using the arc length method and a strain energy density approach within a discrete finite element formulation. The optimization method uses an iterative scheme that evaluates the design variables' performance and then updates them according to a recursive formula controlled by the arc length method. A minimum weight design is achieved when a uniform nonlinear strain energy density is found in all members. This minimal condition places the design load just below the critical limit load causing snap through of the structure. The optimization scheme is programmed into a nonlinear finite element algorithm to find the large strain energy at critical limit loads. Examples of highly nonlinear trusses found in literature are presented to verify the method.

  19. Optimal point of insertion of the needle in neuraxial blockade using a midline approach: study in a geometrical model

    PubMed Central

    Vogt, Mark; van Gerwen, Dennis J; van den Dobbelsteen, John J; Hagenaars, Martin

    2016-01-01

    Performance of neuraxial blockade using a midline approach can be technically difficult. It is therefore important to optimize factors that are under the influence of the clinician performing the procedure. One of these factors might be the chosen point of insertion of the needle. Surprisingly few data exist on where between the tips of two adjacent spinous processes the needle should be introduced. A geometrical model was adopted to gain more insight into this issue. Spinous processes were represented by parallelograms. The length, the steepness relative to the skin, and the distance between the parallelograms were varied. The influence of the chosen point of insertion of the needle on the range of angles at which the epidural and subarachnoid space could be reached was studied. The optimal point of insertion was defined as the point where this range is the widest. The geometrical model clearly demonstrated, that the range of angles at which the epidural or subarachnoid space can be reached, is dependent on the point of insertion between the tips of the adjacent spinous processes. The steeper the spinous processes run, the more cranial the point of insertion should be. Assuming that the model is representative for patients, the performance of neuraxial blockade using a midline approach might be improved by choosing the optimal point of insertion. PMID:27570462

  20. Geometrical analysis on cap-shaped coils for power optimization of the vibration-based electromagnetic harvesting system

    NASA Astrophysics Data System (ADS)

    Hasbullah Mohd Isa, Wan; Fikri Muhammad, Khairul; Mohd Khairuddin, Ismail; Ishak, Ismayuzri; Razlan Yusoff, Ahmad

    2016-02-01

    This paper presents the new form of coils for electromagnetic energy harvesting system based on topology optimization method which look-liked a cap to maximize the power output. It could increase the number of magnetic flux linkage interception of a cylindrical permanent magnet which in this case is of 10mm diameter. Several coils with different geometrical properties have been build and tested on a vibration generator with frequency of 100Hz. The results showed that the coil with lowest number of winding transduced highest power output of 680μW while the highest number of windings generated highest voltage output of 0.16V.

  1. Optimizing wind farm layout via LES-calibrated geometric models inclusive of wind direction and atmospheric stability effects

    NASA Astrophysics Data System (ADS)

    Archer, Cristina; Ghaisas, Niranjan

    2015-04-01

    The energy generation at a wind farm is controlled primarily by the average wind speed at hub height. However, two other factors impact wind farm performance: 1) the layout of the wind turbines, in terms of spacing between turbines along and across the prevailing wind direction; staggering or aligning consecutive rows; angles between rows, columns, and prevailing wind direction); and 2) atmospheric stability, which is a measure of whether vertical motion is enhanced (unstable), suppressed (stable), or neither (neutral). Studying both factors and their complex interplay with Large-Eddy Simulation (LES) is a valid approach because it produces high-resolution, 3D, turbulent fields, such as wind velocity, temperature, and momentum and heat fluxes, and it properly accounts for the interactions between wind turbine blades and the surrounding atmospheric and near-surface properties. However, LES are computationally expensive and simulating all the possible combinations of wind directions, atmospheric stabilities, and turbine layouts to identify the optimal wind farm configuration is practically unfeasible today. A new, geometry-based method is proposed that is computationally inexpensive and that combines simple geometric quantities with a minimal number of LES simulations to identify the optimal wind turbine layout, taking into account not only the actual frequency distribution of wind directions (i.e., wind rose) at the site of interest, but also atmospheric stability. The geometry-based method is calibrated with LES of the Lillgrund wind farm conducted with the Software for Offshore/onshore Wind Farm Applications (SOWFA), based on the open-access OpenFOAM libraries. The geometric quantities that offer the best correlations (>0.93) with the LES results are the blockage ratio, defined as the fraction of the swept area of a wind turbine that is blocked by an upstream turbine, and the blockage distance, the weighted distance from a given turbine to all upstream turbines

  2. Fluence map optimization (FMO) with dose-volume constraints in IMRT using the geometric distance sorting method

    NASA Astrophysics Data System (ADS)

    Lan, Yihua; Li, Cunhua; Ren, Haozheng; Zhang, Yong; Min, Zhifang

    2012-10-01

    A new heuristic algorithm based on the so-called geometric distance sorting technique is proposed for solving the fluence map optimization with dose-volume constraints which is one of the most essential tasks for inverse planning in IMRT. The framework of the proposed method is basically an iterative process which begins with a simple linear constrained quadratic optimization model without considering any dose-volume constraints, and then the dose constraints for the voxels violating the dose-volume constraints are gradually added into the quadratic optimization model step by step until all the dose-volume constraints are satisfied. In each iteration step, an interior point method is adopted to solve each new linear constrained quadratic programming. For choosing the proper candidate voxels for the current dose constraint adding, a so-called geometric distance defined in the transformed standard quadratic form of the fluence map optimization model was used to guide the selection of the voxels. The new geometric distance sorting technique can mostly reduce the unexpected increase of the objective function value caused inevitably by the constraint adding. It can be regarded as an upgrading to the traditional dose sorting technique. The geometry explanation for the proposed method is also given and a proposition is proved to support our heuristic idea. In addition, a smart constraint adding/deleting strategy is designed to ensure a stable iteration convergence. The new algorithm is tested on four cases including head-neck, a prostate, a lung and an oropharyngeal, and compared with the algorithm based on the traditional dose sorting technique. Experimental results showed that the proposed method is more suitable for guiding the selection of new constraints than the traditional dose sorting method, especially for the cases whose target regions are in non-convex shapes. It is a more efficient optimization technique to some extent for choosing constraints than the dose

  3. The packing of soft materials: Molecular asymmetry, geometric frustration and optimal lattices in block copolymer melts

    NASA Astrophysics Data System (ADS)

    Grason, Gregory M.

    Melts of block copolymers provide an ideal route to engineering well-controlled structures on nanometer length scales. Through the control of only a few thermodynamic parameters, these systems can be tuned to self-assemble into periodic structures of an astounding variety. It is known that geometry plays a particularly important role in determining equilibrium structure since phase behavior of copolymer melts is generically insensitive to detail at the monomeric scale. Here, we explore a particular way in which the geometry of packing objects in three dimensions frustrates the internal configurations of segregated block copolymer domains. In particular, we find that lattices of spherical micelles are sensitive to the periodic structure of the lattice arrangement because these micelles are forced to occupy the non-ideal, polyhedral unit cells of the lattice. By analyzing the energetics of block copolymer melts in the limit of strongly-segregated domains, we find that the interfaces which separate unlike polymer domains tend to adopt the polyhedral shape of the lattice unit cell, and this tendency is entirely controlled by the specific copolymer architecture. Furthermore, in the limit where interfaces are perfectly polyhedral, a remarkable simplicity emerges, and the relative stability of competing lattice arrangements of micelles can be assessed purely in terms of geometric measures of the two-dimensional lattice unit cell. From this analysis we predict the stability of a novel cubic arrangement spherical micelles in block copolymer melts, the A15 lattice. To corroborate our geometric arguments we develop and implement a numerical self-consistent field theory for melts of highly asymmetric block copolymers. This field theory allows us to systematically and efficiently explore the equilibrium phase behavior of asymmetric copolymer melts as a function of molecular architecture. These numerical results bear out the predictions of our geometric analysis and confirm that

  4. A Numerical Methodology for Aerodynamic Shape Optimization in Turbulent Flow Enabling Large Geometric Variation

    NASA Astrophysics Data System (ADS)

    Osusky, Lana Maria

    The increase in the availability and power of computational resources over the last fifteen years has contributed to the development of many different types of numerical optimization methods and created a large area of research focussed on numerical aerodynamic shape optimization and, more recently, high-fidelity multidisciplinary optimization. Numerical optimization provides dramatic savings when designing new aerodynamic configurations, as it allows the designer to focus more on the development of a well-posed design problem rather than on performing an exhaustive search of the design space via the traditional cut-and-try approach, which is expensive and time-consuming. It also reduces the dependence on the designer's experience and intuition, which can potentially lead to more optimal designs. Numerical optimization methods are particularly attractive when designing novel, unconventional aircraft for which the designer has no pre-existing studies or experiences from which to draw; these methods have the potential to discover new designs that might never have been arrived at without optimization. This work presents an extension of an efficient gradient-based numerical aerodynamic shape optimization algorithm to enable optimization in turbulent flow. The algorithm includes an integrated geometry parameterization and mesh movement scheme, an efficient parallel Newton-Krylov-Schur algorithm for solving the Reynolds-Averaged Navier-Stokes (RANS) equations, which are fully coupled with the one-equation Spalart-Allmaras turbulence model, and a discrete-adjoint gradient evaluation. In order to develop an efficient methodology for optimization in turbulent flows, the viscous and turbulent terms in the ii governing equations were linearized by hand. Additionally, a set of mesh refinement tools was introduced in order to obtain both an acceptable control volume mesh and a sufficiently refined computational mesh from an initial coarse mesh. A series of drag minimization

  5. On the validity of the arithmetic-geometric mean method to locate the optimal solution in a supply chain system

    NASA Astrophysics Data System (ADS)

    Chung, Kun-Jen

    2012-08-01

    Cardenas-Barron [Cardenas-Barron, L.E. (2010) 'A Simple Method to Compute Economic order Quantities: Some Observations', Applied Mathematical Modelling, 34, 1684-1688] indicates that there are several functions in which the arithmetic-geometric mean method (AGM) does not give the minimum. This article presents another situation to reveal that the AGM inequality to locate the optimal solution may be invalid for Teng, Chen, and Goyal [Teng, J.T., Chen, J., and Goyal S.K. (2009), 'A Comprehensive Note on: An Inventory Model under Two Levels of Trade Credit and Limited Storage Space Derived without Derivatives', Applied Mathematical Modelling, 33, 4388-4396], Teng and Goyal [Teng, J.T., and Goyal S.K. (2009), 'Comment on 'Optimal Inventory Replenishment Policy for the EPQ Model under Trade Credit Derived without Derivatives', International Journal of Systems Science, 40, 1095-1098] and Hsieh, Chang, Weng, and Dye [Hsieh, T.P., Chang, H.J., Weng, M.W., and Dye, C.Y. (2008), 'A Simple Approach to an Integrated Single-vendor Single-buyer Inventory System with Shortage', Production Planning and Control, 19, 601-604]. So, the main purpose of this article is to adopt the calculus approach not only to overcome shortcomings of the arithmetic-geometric mean method of Teng et al. (2009), Teng and Goyal (2009) and Hsieh et al. (2008), but also to develop the complete solution procedures for them.

  6. Optimization of spin injection and spin detection in lateral nanostructures by geometrical means

    NASA Astrophysics Data System (ADS)

    Stejskal, Ondřej; Hamrle, Jaroslav; Pištora, Jaromír; Otani, Yoshichika

    2016-09-01

    Lateral spin devices are an important concept in nowadays all-metallic spintronic devices. One of the key problems is to obtain large spin injection and detection efficiency. Several concepts has been envisaged, such as to use half-metallic ferromagnetic electrodes or spin-polarized interface barriers. Within this work, we address the optimization of spin devices (namely optimization of spin current density, spin current and spin accumulation) based on adjustment of the geometry (dimensions) of the lateral device, material selection of spin conductors, jointly with optimization of the interface resistance.

  7. Geometric optimization of a solar cubic-cavity multi-tubular reactor

    NASA Astrophysics Data System (ADS)

    Valades-Pelayo, P. J.; Arancibia-Bulnes, C. A.; Villafan-Vidales, H.; Romero-Paredes, H.

    2016-05-01

    A multi-tubular solar thermochemical cavity reactor is proposed and the tubular array optimized. The optimized reactor design aims at operating under different temperatures and carrying out different kinds of thermochemical reactions. The radiation entering the receptacle comes from a solar concentrating system and the reactor consists of a cubic receptacle made of woven graphite, housing nine 2.54 cm diameter tungsten tubes. A model is developed and implemented considering high-temperature radiative transfer at steady state. The temperature distribution within the cavity surfaces is determined by employing a hybrid Monte Carlo-Finite Volume approach. Optimal tube distributions are explored by using a custom-made stochastic, multi-parameter, optimization algorithm. In this way, multiple global maxima are determined. Patterns among all possible optimal tube distributions within the cavity are obtained for different scenarios, by maximizing average tube temperature. From this study, practical guidelines are obtained for future application in the design of solar cavity reactors and more specifically, on the layout of multi tubular arrays to optimize radiative heat transfer.

  8. Enhanced Magnetoresistance in Molecular Junctions by Geometrical Optimization of Spin-Selective Orbital Hybridization.

    PubMed

    Rakhmilevitch, David; Sarkar, Soumyajit; Bitton, Ora; Kronik, Leeor; Tal, Oren

    2016-03-01

    Molecular junctions based on ferromagnetic electrodes allow the study of electronic spin transport near the limit of spintronics miniaturization. However, these junctions reveal moderate magnetoresistance that is sensitive to the orbital structure at their ferromagnet-molecule interfaces. The key structural parameters that should be controlled in order to gain high magnetoresistance have not been established, despite their importance for efficient manipulation of spin transport at the nanoscale. Here, we show that single-molecule junctions based on nickel electrodes and benzene molecules can yield a significant anisotropic magnetoresistance of up to ∼200% near the conductance quantum G0. The measured magnetoresistance is mechanically tuned by changing the distance between the electrodes, revealing a nonmonotonic response to junction elongation. These findings are ascribed with the aid of first-principles calculations to variations in the metal-molecule orientation that can be adjusted to obtain highly spin-selective orbital hybridization. Our results demonstrate the important role of geometrical considerations in determining the spin transport properties of metal-molecule interfaces. PMID:26926769

  9. A Single-Lap Joint Adhesive Bonding Optimization Method Using Gradient and Genetic Algorithms

    NASA Technical Reports Server (NTRS)

    Smeltzer, Stanley S., III; Finckenor, Jeffrey L.

    1999-01-01

    A natural process for any engineer, scientist, educator, etc. is to seek the most efficient method for accomplishing a given task. In the case of structural design, an area that has a significant impact on the structural efficiency is joint design. Unless the structure is machined from a solid block of material, the individual components which compose the overall structure must be joined together. The method for joining a structure varies depending on the applied loads, material, assembly and disassembly requirements, service life, environment, etc. Using both metallic and fiber reinforced plastic materials limits the user to two methods or a combination of these methods for joining the components into one structure. The first is mechanical fastening and the second is adhesive bonding. Mechanical fastening is by far the most popular joining technique; however, in terms of structural efficiency, adhesive bonding provides a superior joint since the load is distributed uniformly across the joint. The purpose of this paper is to develop a method for optimizing single-lap joint adhesive bonded structures using both gradient and genetic algorithms and comparing the solution process for each method. The goal of the single-lap joint optimization is to find the most efficient structure that meets the imposed requirements while still remaining as lightweight, economical, and reliable as possible. For the single-lap joint, an optimum joint is determined by minimizing the weight of the overall joint based on constraints from adhesive strengths as well as empirically derived rules. The analytical solution of the sin-le-lap joint is determined using the classical Goland-Reissner technique for case 2 type adhesive joints. Joint weight minimization is achieved using a commercially available routine, Design Optimization Tool (DOT), for the gradient solution while an author developed method is used for the genetic algorithm solution. Results illustrate the critical design variables

  10. An inverse display color characterization model based on an optimized geometrical structure

    NASA Astrophysics Data System (ADS)

    Thomas, Jean-Baptiste; Colantoni, Philippe; Hardeberg, Jon Y.; Foucherot, Irène; Gouton, Pierre

    2008-01-01

    We have defined an inverse model for colorimetric characterization of additive displays. It is based on an optimized three-dimensional tetrahedral structure. In order to minimize the number of measurements, the structure is defined using a forward characterization model. Defining a regular grid in the device-dependent destination color space leads to heterogeneous interpolation errors in the device-independent source color space. The parameters of the function used to define the grid are optimized using a globalized Nelder-Mead simplex downhill algorithm. Several cost functions are tested on several devices. We have performed experiments with a forward model which assumes variation in chromaticities (PLVC), based on one-dimensional interpolations for each primary ramp along X, Y and Z (3×3×1-D). Results on 4 devices (2 LCD and a DLP projection devices, one LCD monitor) are shown and discussed.

  11. Region detection by minimizing intraclass variance with geometric constraints, global optimality, and efficient approximation.

    PubMed

    Wu, Xiaodong; Dou, Xin; Wahle, Andreas; Sonka, Milan

    2011-03-01

    Efficient segmentation of globally optimal surfaces in volumetric images is a central problem in many medical image analysis applications. Intraclass variance has been successfully utilized for object segmentation, for instance, in the Chan-Vese model, especially for images without prominent edges. In this paper, we study the optimization problem of detecting a region (volume) between two coupled smooth surfaces by minimizing the intraclass variance using an efficient polynomial-time algorithm. Our algorithm is based on the shape probing technique in computational geometry and computes a sequence of minimum-cost closed sets in a derived parametric graph. The method has been validated on computer-synthetic volumetric images and in X-ray CT-scanned datasets of plexiglas tubes of known sizes. Its applicability to clinical data sets was also demonstrated. In all cases, the approach yielded highly accurate results. We believe that the developed technique is of interest on its own. We expect that it can shed some light on solving other important optimization problems arising in medical imaging. Furthermore, we report an approximation algorithm which runs much faster than the exact algorithm while yielding highly comparable segmentation accuracy. PMID:21118766

  12. Orbital Exponent Optimization in Elementary VB Calculations of the Chemical Bond in the Ground State of Simple Molecular Systems

    ERIC Educational Resources Information Center

    Magnasco, Valerio

    2008-01-01

    Orbital exponent optimization in the elementary ab-initio VB calculation of the ground states of H[subscript 2][superscript +], H[subscript 2], He[subscript 2][superscript +], He[subscript 2] gives a fair description of the exchange-overlap component of the interatomic interaction that is important in the bond region. Correct bond lengths and…

  13. An efficient algorithm for energy gradients and orbital optimization in valence bond theory.

    PubMed

    Song, Lingchun; Song, Jinshuai; Mo, Yirong; Wu, Wei

    2009-02-01

    An efficient algorithm for energy gradients in valence bond theory with nonorthogonal orbitals is presented. A general Hartree-Fock-like expression for the Hamiltonian matrix element between valence bond (VB) determinants is derived by introducing a transition density matrix. Analytical expressions for the energy gradients with respect to the orbital coefficients are obtained explicitly, whose scaling for computational cost is m(4), where m is the number of basis functions, and is thus approximately the same as in HF method. Compared with other existing approaches, the present algorithm has lower scaling, and thus is much more efficient. Furthermore, the expression for the energy gradient with respect to the nuclear coordinates is also presented, and it provides an effective algorithm for the geometry optimization and the evaluation of various molecular properties in VB theory. Test applications show that our new algorithm runs faster than other methods. PMID:18629879

  14. Geometrical optimization of an annulus Compton suppression system using Monte Carlo simulation.

    PubMed

    Han, Jubong; Lee, K B; Park, T S; Lee, J M; Lee, S H

    2013-11-01

    We are planning to construct a Compton-suppression system permitting accurate and precise determinations of radioactivity of low-level environmental samples. An annulus guard detector (NaI) and a plug-in detector (NaI) are being used as suppression detectors with an HPGe primary detector. The geometry of the Compton suppression spectrometer was optimized by simulation with PENELOPE for obtaining the highest suppression factor (SF) for a point source. The results of the simulations show that the ultimate value of the suppression factor is 7.87 ± 0.18, obtained when the source is located at 57% of an annuls guard detector. PMID:23583087

  15. Optimizing galvanic pulse plating parameters to improve indium bump to bump bonding

    NASA Astrophysics Data System (ADS)

    Coleman, Jonathan J.; Rowen, Adam; Mani, Seethambal S.; Yelton, W. Graham; Arrington, Christian; Gillen, Rusty; Hollowell, Andrew E.; Okerlund, Daniel; Ionescu, Adrian

    2010-02-01

    The plating characteristics of a commercially available indium plating solution are examined and optimized to help meet the increasing performance demands of integrated circuits requiring substantial numbers of electrical interconnections over large areas. Current fabrication techniques rely on evaporation of soft metals, such as indium, into lift-off resist profiles. This becomes increasingly difficult to accomplish as pitches decrease and aspect ratios increase. To minimize pixel dimensions and maximize the number of pixels per unit area, lithography and electrochemical deposition (ECD) of indium has been investigated. Pulse ECD offers the capability of improving large area uniformity ideal for large area device hybridization. Electrochemical experimentation into lithographically patterned molds allow for large areas of bumps to be fabricated for low temperature indium to indium bonds. The galvanic pulse profile, in conjunction with the bath configuration, determines the uniformity of the plated array. This pulse is manipulated to produce optimal properties for hybridizing arrays of aligned and bonded indium bumps. The physical properties of the indium bump arrays are examined using a white light interferometer, a SEM and tensile pull testing. This paper provides details from the electroplating processes as well as conclusions leading to optimized plating conditions.

  16. Geometric modeling of space-optimal unit-cell-based tissue engineering scaffolds

    NASA Astrophysics Data System (ADS)

    Rajagopalan, Srinivasan; Lu, Lichun; Yaszemski, Michael J.; Robb, Richard A.

    2005-04-01

    Tissue engineering involves regenerating damaged or malfunctioning organs using cells, biomolecules, and synthetic or natural scaffolds. Based on their intended roles, scaffolds can be injected as space-fillers or be preformed and implanted to provide mechanical support. Preformed scaffolds are biomimetic "trellis-like" structures which, on implantation and integration, act as tissue/organ surrogates. Customized, computer controlled, and reproducible preformed scaffolds can be fabricated using Computer Aided Design (CAD) techniques and rapid prototyping devices. A curved, monolithic construct with minimal surface area constitutes an efficient substrate geometry that promotes cell attachment, migration and proliferation. However, current CAD approaches do not provide such a biomorphic construct. We address this critical issue by presenting one of the very first physical realizations of minimal surfaces towards the construction of efficient unit-cell based tissue engineering scaffolds. Mask programmability, and optimal packing density of triply periodic minimal surfaces are used to construct the optimal pore geometry. Budgeted polygonization, and progressive minimal surface refinement facilitate the machinability of these surfaces. The efficient stress distributions, as deduced from the Finite Element simulations, favor the use of these scaffolds for orthopedic applications.

  17. Spatiotemporal and geometric optimization of sensor arrays for detecting analytes in fluids

    DOEpatents

    Lewis, Nathan S.; Freund, Michael S.; Briglin, Shawn S.; Tokumaru, Phillip; Martin, Charles R.; Mitchell, David

    2009-09-29

    Sensor arrays and sensor array systems for detecting analytes in fluids. Sensors configured to generate a response upon introduction of a fluid containing one or more analytes can be located on one or more surfaces relative to one or more fluid channels in an array. Fluid channels can take the form of pores or holes in a substrate material. Fluid channels can be formed between one or more substrate plates. Sensor can be fabricated with substantially optimized sensor volumes to generate a response having a substantially maximized signal to noise ratio upon introduction of a fluid containing one or more target analytes. Methods of fabricating and using such sensor arrays and systems are also disclosed.

  18. Spatiotemporal and geometric optimization of sensor arrays for detecting analytes fluids

    DOEpatents

    Lewis, Nathan S.; Freund, Michael S.; Briglin, Shawn M.; Tokumaru, Phil; Martin, Charles R.; Mitchell, David T.

    2006-10-17

    Sensor arrays and sensor array systems for detecting analytes in fluids. Sensors configured to generate a response upon introduction of a fluid containing one or more analytes can be located on one or more surfaces relative to one or more fluid channels in an array. Fluid channels can take the form of pores or holes in a substrate material. Fluid channels can be formed between one or more substrate plates. Sensor can be fabricated with substantially optimized sensor volumes to generate a response having a substantially maximized signal to noise ratio upon introduction of a fluid containing one or more target analytes. Methods of fabricating and using such sensor arrays and systems are also disclosed.

  19. Discrete-Time Pricing and Optimal Exercise of American Perpetual Warrants in the Geometric Random Walk Model

    SciTech Connect

    Vanderbei, Robert J.; P Latin-Small-Letter-Dotless-I nar, Mustafa C.; Bozkaya, Efe B.

    2013-02-15

    An American option (or, warrant) is the right, but not the obligation, to purchase or sell an underlying equity at any time up to a predetermined expiration date for a predetermined amount. A perpetual American option differs from a plain American option in that it does not expire. In this study, we solve the optimal stopping problem of a perpetual American option (both call and put) in discrete time using linear programming duality. Under the assumption that the underlying stock price follows a discrete time and discrete state Markov process, namely a geometric random walk, we formulate the pricing problem as an infinite dimensional linear programming (LP) problem using the excessive-majorant property of the value function. This formulation allows us to solve complementary slackness conditions in closed-form, revealing an optimal stopping strategy which highlights the set of stock-prices where the option should be exercised. The analysis for the call option reveals that such a critical value exists only in some cases, depending on a combination of state-transition probabilities and the economic discount factor (i.e., the prevailing interest rate) whereas it ceases to be an issue for the put.

  20. Geometric optimization of a step bearing for a hydrodynamically levitated centrifugal blood pump for the reduction of hemolysis.

    PubMed

    Kosaka, Ryo; Yada, Toru; Nishida, Masahiro; Maruyama, Osamu; Yamane, Takashi

    2013-09-01

    A hydrodynamically levitated centrifugal blood pump with a semi-open impeller has been developed for mechanical circulatory assistance. However, a narrow bearing gap has the potential to cause hemolysis. The purpose of the present study is to optimize the geometric configuration of the hydrodynamic step bearing in order to reduce hemolysis by expansion of the bearing gap. First, a numerical analysis of the step bearing, based on lubrication theory, was performed to determine the optimal design. Second, in order to assess the accuracy of the numerical analysis, the hydrodynamic forces calculated in the numerical analysis were compared with those obtained in an actual measurement test using impellers having step lengths of 0%, 33%, and 67% of the vane length. Finally, a bearing gap measurement test and a hemolysis test were performed. As a result, the numerical analysis revealed that the hydrodynamic force was the largest when the step length was approximately 70%. The hydrodynamic force calculated in the numerical analysis was approximately equivalent to that obtained in the measurement test. In the measurement test and the hemolysis test, the blood pump having a step length of 67% achieved the maximum bearing gap and reduced hemolysis, as compared with the pumps having step lengths of 0% and 33%. It was confirmed that the numerical analysis of the step bearing was effective, and the developed blood pump having a step length of approximately 70% was found to be a suitable configuration for the reduction of hemolysis. PMID:23834855

  1. Optimal tubular adhesive-bonded lap joint of the carbon fiber epoxy composite shaft

    NASA Astrophysics Data System (ADS)

    Kim, Ki S.; Kim, Won T.; Lee, Dai G.; Jun, Eui J.

    The effects of the adhesive thickness and the adherend surface roughness on the fatigue strength of a tubular adhesive-bonded single lap joint were investigated using fatigue test specimens whose adherends were made of S45C carbon steel. Results of fatigue tests showed that the optimal arithmetic surface roughness of the adherends is about 2 microns and the optimal adhesive thickness is about 0.15 mm. Using these values, the prototype torsional adhesive joints were manufactured for power transmission shafts of an automotive vehicle or a small helicopter, and static tests under torque were performed on a single-lap joint, a single-lap joint with scarf, a double-lap joint, and a double-lap joint with scarf. It was found that the double-lap joint was superior among the joints, in terms of torque capacity and manufacturing cost.

  2. Stochastic geometrical model and Monte Carlo optimization methods for building reconstruction from InSAR data

    NASA Astrophysics Data System (ADS)

    Zhang, Yue; Sun, Xian; Thiele, Antje; Hinz, Stefan

    2015-10-01

    Synthetic aperture radar (SAR) systems, such as TanDEM-X, TerraSAR-X and Cosmo-SkyMed, acquire imagery with high spatial resolution (HR), making it possible to observe objects in urban areas with high detail. In this paper, we propose a new top-down framework for three-dimensional (3D) building reconstruction from HR interferometric SAR (InSAR) data. Unlike most methods proposed before, we adopt a generative model and utilize the reconstruction process by maximizing a posteriori estimation (MAP) through Monte Carlo methods. The reason for this strategy refers to the fact that the noisiness of SAR images calls for a thorough prior model to better cope with the inherent amplitude and phase fluctuations. In the reconstruction process, according to the radar configuration and the building geometry, a 3D building hypothesis is mapped to the SAR image plane and decomposed to feature regions such as layover, corner line, and shadow. Then, the statistical properties of intensity, interferometric phase and coherence of each region are explored respectively, and are included as region terms. Roofs are not directly considered as they are mixed with wall into layover area in most cases. When estimating the similarity between the building hypothesis and the real data, the prior, the region term, together with the edge term related to the contours of layover and corner line, are taken into consideration. In the optimization step, in order to achieve convergent reconstruction outputs and get rid of local extrema, special transition kernels are designed. The proposed framework is evaluated on the TanDEM-X dataset and performs well for buildings reconstruction.

  3. Estimation of Gravity Parameters Related to Simple Geometrical Structures by Developing an Approach Based on Deconvolution and Linear Optimization Techniques

    NASA Astrophysics Data System (ADS)

    Asfahani, J.; Tlas, M.

    2015-10-01

    An easy and practical method for interpreting residual gravity anomalies due to simple geometrically shaped models such as cylinders and spheres has been proposed in this paper. This proposed method is based on both the deconvolution technique and the simplex algorithm for linear optimization to most effectively estimate the model parameters, e.g., the depth from the surface to the center of a buried structure (sphere or horizontal cylinder) or the depth from the surface to the top of a buried object (vertical cylinder), and the amplitude coefficient from the residual gravity anomaly profile. The method was tested on synthetic data sets corrupted by different white Gaussian random noise levels to demonstrate the capability and reliability of the method. The results acquired show that the estimated parameter values derived by this proposed method are close to the assumed true parameter values. The validity of this method is also demonstrated using real field residual gravity anomalies from Cuba and Sweden. Comparable and acceptable agreement is shown between the results derived by this method and those derived from real field data.

  4. Investigation of optimized end-bonding magnetoelectric heterostructure for sensitive magnetic field sensor.

    PubMed

    Lu, Caijiang; Xu, Changbao; Wang, Lei; Gao, Jipu; Gui, Junguo; Lin, Chenghui

    2014-11-01

    This paper reports an optimized end-bonding magnetoelectric (ME) heterostructure FeCuNbSiB-PZT-FeCuNbSiB (FPF) for sensitive magnetic field sensor. The heterostructure is made by attaching magnetostrictive Fe73.5Cu1Nb3Si13.5B9 (FeCuNbSiB) foils at the free ends of piezoelectric Pb(Zr1-x,Tix)O3 (PZT) plates. Due to the structural advantages, the FPF has ∼3.12 times larger resonance voltage coefficient (αME,r) than traditional FeCuNbSiB/PZT laminate. And compared with the Metglas-PZT-Metglas heterostructure, the FPF heterostructure has stronger ME responses for the excellent magnetic characteristics of FeCuNbSiB. In experiments, the FPF heterostructure is optimal designed through adjusting the thickness of PZT plate (tp) and the length of FeCuNbSiB foil (L). The results demonstrate that the maximum αME,r of 662.1 (V/cm Oe) is observed at 13 Oe DC bias magnetic field when L = 15 mm and tp = 0.6 mm. Based on the giant ME coupling, the DC magnetic field sensitivity for the optimized FPF heterostructure is 3.89 nT at resonant frequency. These results are very promising for the cheap room-temperature magnetic field sensing technology. PMID:25430140

  5. An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics.

    PubMed

    Pyzer-Knapp, Edward O; Thompson, Hugh P G; Day, Graeme M

    2016-08-01

    We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370

  6. An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics

    PubMed Central

    Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.

    2016-01-01

    We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370

  7. Anatomy-based inverse optimization in high-dose-rate brachytherapy combined with hypofractionated external beam radiotherapy for localized prostate cancer: Comparison of incidence of acute genitourinary toxicity between anatomy-based inverse optimization and geometric optimization

    SciTech Connect

    Akimoto, Tetsuo . E-mail: takimoto@showa.gunma-u.ac.jp; Katoh, Hiroyuki; Kitamoto, Yoshizumi; Shirai, Katsuyuki; Shioya, Mariko; Nakano, Takashi

    2006-04-01

    Purpose: To evaluate the advantages of anatomy-based inverse optimization (IO) in planning high-dose-rate (HDR) brachytherapy. Methods and Materials: A total of 114 patients who received HDR brachytherapy (9 Gy in two fractions) combined with hypofractionated external beam radiotherapy (EBRT) were analyzed. The dose distributions of HDR brachytherapy were optimized using geometric optimization (GO) in 70 patients and by anatomy-based IO in the remaining 44 patients. The correlation between the dose-volume histogram parameters, including the urethral dose and the incidence of acute genitourinary (GU) toxicity, was evaluated. Results: The averaged values of the percentage of volume receiving 80-150% of the prescribed minimal peripheral dose (V{sub 8}-V{sub 15}) of the urethra generated by anatomy-based IO were significantly lower than the corresponding values generated by GO. Similarly, the averaged values of the minimal dose received by 5-50% of the target volume (D{sub 5}-D{sub 5}) obtained using anatomy-based IO were significantly lower than those obtained using GO. Regarding acute toxicity, Grade 2 or worse acute GU toxicity developed in 23% of all patients, but was significantly lower in patients for whom anatomy-based IO (16%) was used than in those for whom GO was used (37%), consistent with the reduced urethral dose (p <0.01). Conclusion: The results of this study suggest that anatomy-based IO is superior to GO for dose optimization in HDR brachytherapy for prostate cancer.

  8. Chlorophyll a Covalently Bonded to Organo-Modified Translucent Silica Xerogels: Optimizing Fluorescence and Maximum Loading.

    PubMed

    García-Sánchez, M A; Serratos, I N; Sosa, R; Tapia-Esquivel, T; González-García, F; Rojas-González, F; Tello-Solís, S R; Palacios-Enriquez, A Y; Esparza Schulz, J M; Arrieta, A

    2016-01-01

    Chlorophyll is a pyrrolic pigment with important optical properties, which is the reason it has been studied for many years. Recently, interest has been rising with respect to this molecule because of its outstanding physicochemical properties, particularly applicable to the design and development of luminescent materials, hybrid sensor systems, and photodynamic therapy devices for the treatment of cancer cells and bacteria. More recently, our research group has been finding evidence for the possibility of preserving these important properties of substrates containing chlorophyll covalently incorporated within solid pore matrices, such as SiO₂, TiO₂ or ZrO₂ synthesized through the sol-gel process. In this work, we study the optical properties of silica xerogels organo-modified on their surface with allyl and phenyl groups and containing different concentrations of chlorophyll bonded to the pore walls, in order to optimize the fluorescence that these macrocyclic species displays in solution. The intention of this investigation was to determine the maximum chlorophyll a concentration at which this molecule can be trapped inside the pores of a given xerogel and to ascertain if this pigment remains trapped as a monomer, a dimer, or aggregate. Allyl and phenyl groups were deposited on the surface of xerogels in view of their important effects on the stability of the molecule, as well as over the fluorescence emission of chlorophyll; however, these organic groups allow the trapping of either chlorophyll a monomers or dimers. The determination of the above parameters allows finding the most adequate systems for subsequent in vitro or in vivo studies. The characterization of the obtained xerogels was performed through spectroscopic absorption, emission and excitation spectra. These hybrid systems can be employed as mimics of natural systems; the entrapment of chlorophyll inside pore matrices indicates that it is possible to exploit some of the most physicochemical

  9. Evaluation of an alternative technique to optimize direct bonding of orthodontic brackets to temporary crowns

    PubMed Central

    Dias, Francilena Maria Campos Santos; Pinzan-Vercelino, Célia Regina Maio; Tavares, Rudys Rodolfo de Jesus; Gurgel, Júlio de Araújo; Bramante, Fausto Silva; Fialho, Melissa Nogueira Proença

    2015-01-01

    OBJECTIVE: To compare shear bond strength of different direct bonding techniques of orthodontic brackets to acrylic resin surfaces. METHODS: The sample comprised 64 discs of chemically activated acrylic resin (CAAR) randomly divided into four groups: discs in group 1 were bonded by means of light-cured composite resin (conventional adhesive); discs in group 2 had surfaces roughened with a diamond bur followed by conventional direct bonding by means of light-cured composite resin; discs in group 3 were bonded by means of CAAR (alternative adhesive); and discs in group 4 had surfaces roughened with a diamond bur followed by direct bonding by means of CAAR. Shear bond strength values were determined after 24 hours by means of a universal testing machine at a speed of 0.5 mm/min, and compared by analysis of variance followed by post-hoc Tukey test. Adhesive remnant index (ARI) was measured and compared among groups by means of Kruskal-Wallis and Dunn tests. RESULTS: Groups 3 and 4 had significantly greater shear bond strength values in comparison to groups 1 and 2. Groups 3 and 4 yielded similar results. Group 2 showed better results when compared to group 1. In ARI analyses, groups 1 and 2 predominantly exhibited a score equal to 0, whereas groups 3 and 4 predominantly exhibited a score equal to 3. CONCLUSIONS: Direct bonding of brackets to acrylic resin surfaces using CAAR yielded better results than light-cured composite resin. Surface preparation with diamond bur only increased shear bond strength in group 2. PMID:26352846

  10. Geometric neural computing.

    PubMed

    Bayro-Corrochano, E J

    2001-01-01

    This paper shows the analysis and design of feedforward neural networks using the coordinate-free system of Clifford or geometric algebra. It is shown that real-, complex-, and quaternion-valued neural networks are simply particular cases of the geometric algebra multidimensional neural networks and that some of them can also be generated using support multivector machines (SMVMs). Particularly, the generation of radial basis function for neurocomputing in geometric algebra is easier using the SMVM, which allows one to find automatically the optimal parameters. The use of support vector machines in the geometric algebra framework expands its sphere of applicability for multidimensional learning. Interesting examples of nonlinear problems show the effect of the use of an adequate Clifford geometric algebra which alleviate the training of neural networks and that of SMVMs. PMID:18249926

  11. Optimizing dentin bond durability: control of collagen degradation by matrix metalloproteinases and cysteine cathepsins

    PubMed Central

    Tjäderhane, Leo; Nascimento, Fabio D.; Breschi, Lorenzo; Mazzoni, Annalisa; Tersariol, Ivarne L.S.; Geraldeli, Saulo; Tezvergil-Mutluay, Arzu; Carrilho, Marcela R.; Carvalho, Ricardo M.; Tay, Franklin R.; Pashley, David H.

    2012-01-01

    Objectives Contemporary adhesives lose their bond strength to dentin regardless of the bonding system used. This loss relates to the hydrolysis of collagen matrix of the hybrid layers. The preservation of the collagen matrix integrity is a key issue in the attempts to improve the dentin bonding durability. Methods Dentin contains collagenolytic enzymes, matrix metalloproteinases (MMPs) and cysteine cathepsins, which are responsible for the hydrolytic degradation of collagen matrix in the bonded interface. Results The identities, roles and function of collagenolytic enzymes in mineralized dentin has been gathered only within last 15 years, but they have already been demonstrated to have an important role in dental hard tissue pathologies, including the degradation of the hybrid layer. Identifying responsible enzymes facilitates the development of new, more efficient methods to improve the stability of dentin-adhesive bond and durability of bond strength. Significance Understanding the nature and role of proteolytic degradation of dentin-adhesive interfaces has improved immensely and has practically grown to a scientific field of its own within only 10 years, holding excellent promise that stable resin-dentin bonds will be routinely available in a daily clinical setting already in a near future. PMID:22901826

  12. Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.

    PubMed

    Jungbauer, Stefan H; Huber, Stefan M

    2015-09-23

    In contrast to hydrogen bonding, which is firmly established in organocatalysis, there are still very few applications of halogen bonding in this field. Herein, we present the first catalytic application of cationic halogen-bond donors in a halide abstraction reaction. First, halopyridinium-, haloimidazolium-, and halo-1,2,3-triazolium-based catalysts were systematically tested. In contrast to the pyridinium compounds, both the imidazolium and the triazolium salts showed promising potency. For the haloimidazolium-based organocatalysts, we could show that the catalytic activity is based on halogen bonding using, e.g., the chlorinated derivatives as reference compounds. On the basis of these studies, halobenzimidazolium organocatalysts were then investigated. Monodentate compounds featured the same trends as the corresponding imidazolium analogues but showed a stronger catalytic activity. In order to prepare bidentate versions which are preorganized for anion binding, a new class of rigid bis(halobenzimidazolium) compounds was synthesized and structurally characterized. The corresponding syn isomer showed unprecedented catalytic potency and could be used in as low as 0.5 mol % in the benchmark reaction of 1-chloroisochroman with a silyl enol ether. Calculations confirmed that the syn isomer may bind in a bidentate fashion to chloride. The respective anti isomer is less active and binds halides in a monodentate fashion. Kinetic investigations confirmed that the syn isomer led to a 20-fold rate acceleration compared to a neutral tridentate halogen-bond donor. The strength of the preorganized halogen-bond donor seems to approach the limit under the reaction conditions, as decomposition is observed in the presence of chloride in the same solvent at higher temperatures. Calorimetric titrations of the syn isomer with bromide confirmed the strong halogen-bond donor strength of the former (K ≈ 4 × 10(6) M(-1), ΔG ≈ 38 kJ/mol). PMID:26329271

  13. High-energy, stable and recycled molecular solar thermal storage materials using AZO/graphene hybrids by optimizing hydrogen bonds.

    PubMed

    Luo, Wen; Feng, Yiyu; Qin, Chengqun; Li, Man; Li, Shipei; Cao, Chen; Long, Peng; Liu, Enzuo; Hu, Wenping; Yoshino, Katsumi; Feng, Wei

    2015-10-21

    An important method for establishing a high-energy, stable and recycled molecular solar heat system is by designing and preparing novel photo-isomerizable molecules with a high enthalpy and a long thermal life by controlling molecular interactions. A meta- and ortho-bis-substituted azobenzene chromophore (AZO) is covalently grafted onto reduced graphene oxide (RGO) for solar thermal storage materials. High grafting degree and close-packed molecules enable intermolecular hydrogen bonds (H-bonds) for both trans-(E) and cis-(Z) isomers of AZO on the surface of nanosheets, resulting in a dramatic increase in enthalpy and lifetime. The metastable Z-form of AZO on RGO is thermally stabilized with a half-life of 52 days by steric hindrance and intermolecular H-bonds calculated using density functional theory (DFT). The AZO-RGO fuel shows a high storage capacity of 138 Wh kg(-1) by optimizing intermolecular H-bonds with a good cycling stability for 50 cycles induced by visible light at 520 nm. Our work opens up a new method for making advanced molecular solar thermal storage materials by tuning molecular interactions on a nano-template. PMID:26289389

  14. Laser Surface Preparation of Epoxy Composites for Secondary Bonding: Optimization of Ablation Depth

    NASA Technical Reports Server (NTRS)

    Palmieri, Frank L.; Hopkins, John; Wohl, Christopher J.; Lin, Yi; Connell, John W.; Belcher, Marcus A.; Blohowiak, Kay Y.

    2015-01-01

    Surface preparation has been identified as one of the most critical aspects of attaining predictable and reliable adhesive bonds. Energetic processes such as laser ablation or plasma treatment are amenable to automation and are easily monitored and adjusted for controlled surface preparation. A laser ablation process was developed to accurately remove a targeted depth of resin, approximately 0.1 to 20 micrometers, from a carbon fiber reinforced epoxy composite surface while simultaneously changing surface chemistry and creating micro-roughness. This work demonstrates the application of this process to prepare composite surfaces for bonding without exposing or damaging fibers on the surface. Composite panels were prepared in an autoclave and had a resin layer approximately 10 micrometers thick above the fiber reinforcement. These composite panels were laser surface treated using several conditions, fabricated into bonded panels and hygrothermally aged. Bond performance of aged, experimental specimens was compared with grit blast surface treated specimens using a modified double cantilever beam test that enabled accelerated saturation of the specimen with water. Comparison of bonded specimens will be used to determine how ablation depth may affect average fracture energies and failure modes.

  15. Optimizing dentin bond durability: strategies to prevent hydrolytic degradation of the hybrid layer

    PubMed Central

    Tjäderhane, Leo; Nascimento, Fabio D.; Breschi, Lorenzo; Mazzoni, Annalisa; Tersariol, Ivarne L.S.; Geraldeli, Saulo; Tezvergil-Mutluay, Arzu; Carrilho, Marcela; Carvalho, Ricardo M.; Tay, Franklin R.; Pashley, David H.

    2014-01-01

    Objectives Endogenous dentin collagenolytic enzymes, matrix metalloproteinases (MMPs) and cysteine cathepsins, are responsible for the time-related hydrolysis of collagen matrix of the hybrid layers. As the integrity of the collagen matrix is essential for the preservation of long-term dentin bond strength, inhibition or inactivation of endogenous dentin proteases is necessary for durable resin-bonded composite resin restorations. Methods Dentin contains collagenolytic enzymes, matrix metalloproteinases (MMPs) and cysteine cathepsins, which are responsible for the hydrolytic degradation of collagen matrix in the bonded interface. Several tentative approaches to prevent enzyme function either directly or indirectly have been proposed in the literature. Results Chlorhexidine, a general inhibitor of both MMPs and cysteine cathepsins, applied before primer/adhesive application is the most tested method. In general, these experiments have shown that enzyme inhibition is a promising scheme to improve hybrid layer preservation and bond strength durability. Other enzyme inhibitors, e.g. enzyme-inhibiting monomers and antimicrobial compounds, may be considered promising alternatives that would allow more simple clinical application than chlorhexidine. Cross-linking collagen and/or dentin organic matrix-bound enzymes could render hybrid layer organic matrix resistant to degradation, and complete removal of water from the hybrid layer with ethanol wet bonding or biomimetic remineralization should eliminate hydrolysis of both collagen and resin components. Significance Identification of the enzymes responsible for the hydrolysis of hybrid layer collagen and understanding their function has prompted several innovative approaches to retain the hybrid layer integrity and strong dentin bonding. The ultimate goal, prevention of collagen matrix degradation with techniques and commercially available materials that are simple and effective in clinical settings may be achievable in

  16. Optimization of magnesia-based, cement-free, spinel bonded castables

    NASA Astrophysics Data System (ADS)

    Xing, Cheng

    The optimization of magnesia-based, cement-free and spinel bonded MgO-Al2O3 castables with more than 70% magnesia and 5% hydratable alumina as binder has been conducted. The major aspects which have been covered during this study are: flowability, volume stability, physical and mechanical properties and corrosion resistance. Flowability tests have been carried out to determine the appropriate deflocculant type and addition level. Volume stability study is divided into two parts, one emphases on the effects of pre-reacted spinel addition on thermal expansion behaviors, the other focuses on the effect of silica fume additions. For the first part, three series have been tested with additions of 0%, 5%, 10% pre-reacted spinel. The starting temperature of in-situ spinel formed is around 1100°C. The reversible thermal expansion coefficient of MgO-Al 2O3 castable corresponds to the expansion of the magnesia for temperature up to 1100°C. Above 1100°C, the thermal expansion of MgO-Al2O3 castable is consistent with phenomenological model with three distinct contributions: the reversible thermal expansion of MgO aggregate, the volume exchange due to the formation of spinel from the reaction of MgO, Al2O3 and the high temperature shrinkage from fine powders sintering. For the second part, silica fume was added at 0--3% to two series, with or without pre-reacted spinel AR78 addition. With silica fume addition, the in-situ spinel formation is enhanced. Adding silica fume into castable doesn't change the thermal expansion behavior below 1100°C, but does at higher temperature, increasing the maximum thermal expansion and decreasing the temperature at maximum thermal expansion. The additional level also remarkably affects thermal expansion of MgO-Al2O3 castable at high temperature. Adding pre-reacted spinel AR78 still can control the expansion. The effects of pre-reacted spinel and SiO2 fume addition on physical and mechanical properties of MgO-Al2O3 castable are discussed. The

  17. Geometrical Optics

    NASA Astrophysics Data System (ADS)

    Lindlein, Norbert; Leuchs, Gerd

    This chapter shall discuss the basics and the applications of geometrical optical methods in modern optics. Geometrical optics has a long tradition and some ideas are many centuries old. Nevertheless, the invention of modern personal computers which can perform several million floating-point operations in a second also revolutionized the methods of geometrical optics and so several analytical methods lost importance whereas numerical methods such as ray tracing became very important. Therefore, the emphasis in this chapter is also on modern numerical methods such as ray tracing and some other systematic methods such as the paraxial matrix theory.

  18. Geometric and Electronic Structure of [{Cu(MeAN)}2(μ-η2:η2(O22−))]2+ with an Unusually Long O–O Bond: O–O Bond Weakening vs Activation for Reductive Cleavage

    PubMed Central

    Park, Ga Young; Qayyum, Munzarin F.; Woertink, Julia; Hodgson, Keith O.; Hedman, Britt; Narducci Sarjeant, Amy A.; Solomon, Edward I.; Karlin, Kenneth D.

    2012-01-01

    Certain side-on peroxo dicopper(II) species with particularly low υO–O (710–730 cm−1) have been found in equilibrium with their bis-μ-oxo dicopper(III) isomer. An issue is whether such side-on peroxo bridges are further activated for O–O cleavage. In a previous study (Liang, H.-C., et al., J. Am. Chem. Soc. 2002, 124, 4170–4171), we showed that oxygenation of the three-coordinate complex [CuI(MeAN)]+ (MeAN=N-methyl-N,N-bis[3-(dimethylamino)propyl]amine) leads to a low-temperature stable [{CuII(MeAN)}2(μ-η2:η2-O22−)]2+ peroxo species with low υO–O (721 cm−1), as characterized by UV-Vis absorption and resonance Raman (rR) spectroscopies. Here, this complex has been crystallized as its SbF6− salt and an X-ray structure indicates the presence of an unusually long O–O bond (1.540(5) Å) consistent with the low υO–O. EXAFS and rR spectroscopic and reactivity studies indicate the exclusive formation of [{CuII(MeAN)}2(μ-η2:η2-O22−)]2+ without any bis-μ-oxo-dicopper(III) isomer present. This is the first structure of a side-on peroxo dicopper(II) species with a significantly long and weak O–O bond. DFT calculations show that the weak O–O bond results from strong σ donation from the MeAN ligand to Cu that is compensated by a decrease in the extent of peroxo to Cu charge transfer. Importantly, the weak O–O bond does not reflect an increase in backbonding into the σ* orbital of the peroxide. Thus, although the O–O bond is unusually weak, this structure is not further activated for reductive cleavage to form a reactive bis-μ-oxo-dicopper(III) species. These results highlight the necessity of understanding electronic structure changes associated with spectral changes for correlations to reactivity. PMID:22571744

  19. Geometrical optimization of the transmission and dispersion properties of arrayed waveguide gratings using two stigmatic point mountings.

    PubMed

    Muñoz, P; Pastor, D; Capmany, J; Martínez, A

    2003-09-22

    In this paper, the procedure to optimize flat-top Arrayed Waveguide Grating (AWG) devices in terms of transmission and dispersion properties is presented. The systematic procedure consists on the stigmatization and minimization of the Light Path Function (LPF) used in classic planar spectrograph theory. The resulting geometry arrangement for the Arrayed Waveguides (AW) and the Output Waveguides (OW) is not the classical Rowland mounting, but an arbitrary geometry arrangement. Simulation using previous published enhanced modeling show how this geometry reduces the passband ripple, asymmetry and dispersion, in a design example. PMID:19471353

  20. Preliminary Simulations for Geometric Optimization of a High-Energy Delayed Gamma Spectrometer for Direct Assay of Pu in Spent Nuclear Fuel

    SciTech Connect

    Kulisek, Jonathan A.; Campbell, Luke W.; Rodriguez, Douglas C.

    2012-06-07

    High-energy, beta-delayed gamma-ray spectroscopy is under investigation as part of the Next Generation Safeguard Initiative effort to develop non-destructive assay instruments for plutonium mass quantification in spent nuclear fuel assemblies. Results obtained to date indicate that individual isotope-specific signatures contained in the delayed gamma-ray spectra can potentially be used to quantify the total fissile content and individual weight fractions of fissile and fertile nuclides present in spent fuel. Adequate assay precision for inventory analysis can be obtained using a neutron generator of sufficient strength and currently available detection technology. In an attempt to optimize the geometric configuration and material composition for a delayed gamma measurement on spent fuel, the current study applies MCNPX, a Monte Carlo radiation transport code, in order to obtain the best signal-to-noise ratio. Results are presented for optimizing the neutron spectrum tailoring material, geometries to maximize thermal or fast fissions from a given neutron source, and detector location to allow an acceptable delayed gamma-ray signal while achieving a reasonable detector lifetime while operating in a high-energy neutron field. This work is supported in part by the Next Generation Safeguards Initiative, Office of Nuclear Safeguards and Security, National Nuclear Security Administration.

  1. Optimizing an SEM-based 3D surface imaging technique for recording bond coat surface geometry in thermal barrier coatings

    NASA Astrophysics Data System (ADS)

    Shahbazmohamadi, Sina; Jordan, Eric H.

    2012-12-01

    Creation of three-dimensional representations of surfaces from images taken at two or more view angles is a well-established technique applied to optical images and is frequently used in combination with scanning electron microscopy (SEM). The present work describes specific steps taken to optimize and enhance the repeatability of three-dimensional surfaces reconstructed from SEM images. The presented steps result in an approximately tenfold improvement in the repeatability of the surface reconstruction compared to more standard techniques. The enhanced techniques presented can be used with any SEM friendly samples. In this work the modified technique was developed in order to accurately quantify surface geometry changes in metallic bond coats used with thermal barrier coatings (TBCs) to provide improved turbine hot part durability. Bond coat surfaces are quite rough, and accurate determination of surface geometry change (rumpling) requires excellent repeatability. Rumpling is an important contributor to TBC failure, and accurate quantification of rumpling is important to better understanding of the failure behavior of TBCs.

  2. 3Drefine: Consistent Protein Structure Refinement by Optimizing Hydrogen Bonding Network and Atomic-Level Energy Minimization

    PubMed Central

    Bhattacharya, Debswapna; Cheng, Jianlin

    2013-01-01

    One of the major limitations of computational protein structure prediction is the deviation of predicted models from their experimentally derived true, native structures. The limitations often hinder the possibility of applying computational protein structure prediction methods in biochemical assignment and drug design that are very sensitive to structural details. Refinement of these low-resolution predicted models to high-resolution structures close to the native state, however, has proven to be extremely challenging. Thus, protein structure refinement remains a largely unsolved problem. Critical assessment of techniques for protein structure prediction (CASP) specifically indicated that most predictors participating in the refinement category still did not consistently improve model quality. Here, we propose a two-step refinement protocol, called 3Drefine, to consistently bring the initial model closer to the native structure. The first step is based on optimization of hydrogen bonding (HB) network and the second step applies atomic-level energy minimization on the optimized model using a composite physics and knowledge-based force fields. The approach has been evaluated on the CASP benchmark data and it exhibits consistent improvement over the initial structure in both global and local structural quality measures. 3Drefine method is also computationally inexpensive, consuming only few minutes of CPU time to refine a protein of typical length (300 residues). PMID:22927229

  3. Geometric verification

    NASA Technical Reports Server (NTRS)

    Grebowsky, G. J.

    1982-01-01

    Present LANDSAT data formats are reviewed to clarify how the geodetic location and registration capabilities were defined for P-tape products and RBV data. Since there is only one geometric model used in the master data processor, geometric location accuracy of P-tape products depends on the absolute accuracy of the model and registration accuracy is determined by the stability of the model. Due primarily to inaccuracies in data provided by the LANDSAT attitude management system, desired accuracies are obtained only by using ground control points and a correlation process. The verification of system performance with regards to geodetic location requires the capability to determine pixel positions of map points in a P-tape array. Verification of registration performance requires the capability to determine pixel positions of common points (not necessarily map points) in 2 or more P-tape arrays for a given world reference system scene. Techniques for registration verification can be more varied and automated since map data are not required. The verification of LACIE extractions is used as an example.

  4. Low Dose High Energy X-ray In-Line Phase Sensitive Imaging Prototype: Investigation of Optimal Geometric Conditions and Design Parameters

    PubMed Central

    Ghani, Muhammad. U.; Yan, Aimin; Wong, Molly. D.; Li, Yuhua; Ren, Liqiang; Wu, Xizeng; Liu, Hong

    2016-01-01

    The objective of this study was to investigate the optimization of a high energy in-line phase sensitive x-ray imaging prototype under different geometric and operating conditions for mammography application. A phase retrieval algorithm based on phase attenuation duality (PAD) was applied to the phase contrast images acquired by the prototype. Imaging performance was investigated at four magnification values of 1.67, 2, 2.5 and 3 using an acrylic edge, an American College of Radiology (ACR) mammography phantom and contrast detail (CD) phantom with tube potentials of 100, 120 and 140 kVp. The ACR and CD images were acquired at the same mean glandular dose (MGD) of 1.29 mGy with a computed radiography (CR) detector of 43.75 µm pixel pitch at a fixed source to image distance (SID) of 170 cm. The x-ray tube focal spot size was kept constant as 7 µm while a 2.5 mm thick aluminum (Al) filter was used for beam hardening. The performance of phase contrast and phase retrieved images were compared with computer simulations based on the relative phase contrast factor (RPF) at high x-ray energies. The imaging results showed that the x-ray tube operated at 100 kVp under the magnification of 2.5 exhibits superior imaging performance which is in accordance to the computer simulations. As compared to the phase contrast images, the phase retrieved images of the ACR and CD phantoms demonstrated improved imaging contrast and target discrimination. We compared the CD phantom images acquired in conventional contact mode with and without the anti-scatter grid using the same prototype at 1.295 mGy and 2.59 mGy using 40 kVp, a 25 µm rhodium (Rh) filter. At the same radiation dose, the phase sensitive images provided improved detection capabilities for both the large and small discs, while compared to the double dose image acquired in conventional mode, the observer study also indicated that the phase sensitive images provided improved detection capabilities for the large discs. This

  5. Low dose high energy x-ray in-line phase sensitive imaging prototype: Investigation of optimal geometric conditions and design parameters.

    PubMed

    Ghani, Muhammad U; Yan, Aimin; Wong, Molly D; Li, Yuhua; Ren, Liqiang; Wu, Xizeng; Liu, Hong

    2015-01-01

    The objective of this study was to investigate the optimization of a high energy in-line phase sensitive x-ray imaging prototype under different geometric and operating conditions for mammography application. A phase retrieval algorithm based on phase attenuation duality (PAD) was applied to the phase contrast images acquired by the prototype. Imaging performance was investigated at four magnification values of 1.67, 2, 2.5 and 3 using an acrylic edge, an American College of Radiology (ACR) mammography phantom and contrast detail (CD) phantom with tube potentials of 100, 120 and 140 kVp. The ACR and CD images were acquired at the same mean glandular dose (MGD) of 1.29 mGy with a computed radiography (CR) detector of 43.75 μm pixel pitch at a fixed source to image distance (SID) of 170 cm. The x-ray tube focal spot size was kept constant as 7 μm while a 2.5 mm thick aluminum (Al) filter was used for beam hardening. The performance of phase contrast and phase retrieved images were compared with computer simulations based on the relative phase contrast factor (RPF) at high x-ray energies. The imaging results showed that the x-ray tube operated at 100 kVp under the magnification of 2.5 exhibits superior imaging performance which is in accordance to the computer simulations. As compared to the phase contrast images, the phase retrieved images of the ACR and CD phantoms demonstrated improved imaging contrast and target discrimination. We compared the CD phantom images acquired in conventional contact mode with and without the anti-scatter grid using the same prototype at 1.295 mGy and 2.59 mGy using 40 kVp, a 25 μm rhodium (Rh) filter. At the same radiation dose, the phase sensitive images provided improved detection capabilities for both the large and small discs, while compared to the double dose image acquired in conventional mode, the observer study also indicated that the phase sensitive images provided improved detection capabilities for the large discs. This

  6. Comparison of insect kinin analogs with cis-peptide bond motif 4-aminopyroglutamate identifies optimal stereochemistry for diuretic activity.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The insect kinins are present in a wide variety of insects and function as potent diuretic peptides, though they are subject to rapid degradation by internal peptidases. Insect kinin analogs incorporating stereochemical variants of (2S,4S)-4-aminopyroglutamate (APy), a cis-peptide bond motif, demon...

  7. On the efficiency of VBSCF algorithms, a comment on "An efficient algorithm for energy gradients and orbital optimization in valence bond theory".

    PubMed

    van Lenthe, J H; Broer-Braam, H B; Rashid, Z

    2012-03-30

    We comment on the paper [Song et al., J. Comput. Chem. 2009, 30, 399]. and discuss the efficiency of the orbital optimization and gradient evaluation in the Valence Bond Self Consistent Field (VBSCF) method. We note that Song et al. neglect to properly reference Broer et al., who published an algorithm [Broer and Nieuwpoort, Theor. Chim. Acta 1988, 73, 405] to use a Fock matrix to compute a matrix element between two different determinants, which can be used for an orbital optimization. Further, Song et al. publish a misleading comparison with our VBSCF algorithm [Dijkstra and van Lenthe, J. Chem. Phys. 2000, 113, 2100; van Lenthe et al., Mol. Phys. 1991, 73, 1159] to enable them to favorably compare their algorithm with ours. We give detail timings in terms of different orbital types in the calculation and actual timings for the example cases. PMID:22278948

  8. Theory of chemical bonds in metalloenzymes XI: Full geometry optimization and vibration analysis of porphyrin iron-oxo species

    NASA Astrophysics Data System (ADS)

    Shoji, Mitsuo; Isobe, Hiroshi; Saito, Toru; Kitagawa, Yasutaka; Yamanaka, Shusuke; Kawakami, Takashi; Okumura, Mitsutaka; Yamaguchi, Kizashi

    Physiochemical properties of compound I and II intermediate states for heme enzymes (catalase, peroxidase, P450) and inorganic models are investigated by hybrid density functional theory. Used theoretical models are composed of an oxoferryl porphyrin and an axial ligand, which are cresol, methylimidazole, methylthiol, and chloride for catalase, peroxidase, P450, and inorganic models, respectively. The oxoferryl bonds are characterized in terms of bond lengths and vibration frequencies. It is found that the oxoferryl bond lengths (the stretching frequency) are shorter (higher) than those of the X-ray crystal structures of enzymes, on the other hand for inorganic models, they are comparable with the experimental values. Spin density distributions showed that radical state at the compound I can be classified into two types: (1) porphyrin radical state and (2) axial ligand radical state. Peroxidase and inorganic model are in the former case and Catalase and P450 are in the later case at the present calculation models. Magnetic interactions between oxoferryl and ligand radical moieties are analyzed by the natural orbital analysis and it is showed that the effective exchange integral (J) values are strongly related to the radical spin density distributions: axial ligand radical tends to increase the antiferromagnetic interaction. Mössbauer shift parameters are also evaluated and it is shown that iron charge states are similar for these models.

  9. Bent Bonds and Multiple Bonds.

    ERIC Educational Resources Information Center

    Robinson, Edward A.; Gillespie, Ronald J.

    1980-01-01

    Considers carbon-carbon multiple bonds in terms of Pauling's bent bond model, which allows direct calculation of double and triple bonds from the length of a CC single bond. Lengths of these multiple bonds are estimated from direct measurements on "bent-bond" models constructed of plastic tubing and standard kits. (CS)

  10. Sequence-specific Ni(II)-dependent peptide bond hydrolysis for protein engineering. Combinatorial library determination of optimal sequences.

    PubMed

    Krezel, Artur; Kopera, Edyta; Protas, Anna Maria; Poznański, Jarosław; Wysłouch-Cieszyńska, Aleksandra; Bal, Wojciech

    2010-03-17

    Previously we demonstrated for several examples that peptides having a general internal sequence R(N)-Yaa-Ser/Thr-Xaa-His-Zaa-R(C) (Yaa = Glu or Ala, Xaa = Ala or His, Zaa = Lys, R(N) and R(C) = any N- and C-terminal amino acid sequence) were hydrolyzed specifically at the Yaa-Ser/Thr peptide bond in the presence of Ni(II) ions at alkaline pH (Krezel, A., Mylonas, M., Kopera, E. and Bal, E. Acta Biochim. Polon. 2006, 53, 721-727 and references therein). Hereby we report the synthesis of a combinatorial library of CH(3)CO-Gly-Ala-(Ser/Thr)-Xaa-His-Zaa-Lys-Phe-Leu-NH(2) peptides, where Xaa residues included 17 common alpha-amino acids (except Asp, Glu, and Cys) and Zaa residues included 19 common alpha-amino acids (except Cys). The Ni(II)-dependent hydrolysis at 37 and 45 degrees C of batches of combinatorial peptide mixtures randomized at Zaa was monitored by MALDI-TOF mass spectrometry. The correctness of library-based predictions was confirmed by accurate measurements of hydrolysis rates of seven selected peptides using HPLC. The hydrolysis was strictly limited to the Ala-Ser/Thr bond in all library and individual peptide experiments. The effects of individual residues on hydrolysis rates were quantified and correlated with physical properties of their side chains according to a model of independent contributions of Xaa and Zaa residues. The principal component analysis calculations demonstrated partial molar side chain volume and the free energy of amino acid vaporization for both Xaa and Zaa residues and the amine pK(a) for Zaa residues to be the most significant empirical parameters influencing the hydrolysis rate. Therefore, efficient hydrolysis required bulky and hydrophobic residues at both variable positions Xaa and Zaa, which contributed independently to the hydrolysis rate. This relationship between the peptide sequence and the hydrolysis rate provides a basis for further research, aimed at the elucidation of the reaction mechanism and biotechnological

  11. High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory

    NASA Astrophysics Data System (ADS)

    Xiao, Ruijuan; Li, Hong; Chen, Liquan

    2015-09-01

    Looking for solid state electrolytes with fast lithium ion conduction is an important prerequisite for developing all-solid-state lithium secondary batteries. By combining the simulation techniques in different levels of accuracy, e.g. the bond-valence (BV) method and the density functional theory (DFT), a high-throughput design and optimization scheme is proposed for searching fast lithium ion conductors as candidate solid state electrolytes for lithium rechargeable batteries. The screening from more than 1000 compounds is performed through BV-based method, and the ability to predict reliable tendency of the Li+ migration energy barriers is confirmed by comparing with the results from DFT calculations. β-Li3PS4 is taken as a model system to demonstrate the application of this combination method in optimizing properties of solid electrolytes. By employing the high-throughput DFT simulations to more than 200 structures of the doping derivatives of β-Li3PS4, the effects of doping on the ionic conductivities in this material are predicted by the BV calculations. The O-doping scheme is proposed as a promising way to improve the kinetic properties of this materials, and the validity of the optimization is proved by the first-principles molecular dynamics (FPMD) simulations.

  12. High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory

    PubMed Central

    Xiao, Ruijuan; Li, Hong; Chen, Liquan

    2015-01-01

    Looking for solid state electrolytes with fast lithium ion conduction is an important prerequisite for developing all-solid-state lithium secondary batteries. By combining the simulation techniques in different levels of accuracy, e.g. the bond-valence (BV) method and the density functional theory (DFT), a high-throughput design and optimization scheme is proposed for searching fast lithium ion conductors as candidate solid state electrolytes for lithium rechargeable batteries. The screening from more than 1000 compounds is performed through BV-based method, and the ability to predict reliable tendency of the Li+ migration energy barriers is confirmed by comparing with the results from DFT calculations. β-Li3PS4 is taken as a model system to demonstrate the application of this combination method in optimizing properties of solid electrolytes. By employing the high-throughput DFT simulations to more than 200 structures of the doping derivatives of β-Li3PS4, the effects of doping on the ionic conductivities in this material are predicted by the BV calculations. The O-doping scheme is proposed as a promising way to improve the kinetic properties of this materials, and the validity of the optimization is proved by the first-principles molecular dynamics (FPMD) simulations. PMID:26387639

  13. Hydrogen bonds in methane-water clusters.

    PubMed

    Salazar-Cano, Juan-Ramón; Guevara-García, Alfredo; Vargas, Rubicelia; Restrepo, Albeiro; Garza, Jorge

    2016-08-24

    Characterization of hydrogen bonds in CH4-(H2O)12 clusters was carried out by using several quantum chemistry tools. An initial stochastic search provided around 2 500 000 candidate structures, then, using a convex-hull polygon criterion followed by gradient based optimization under the Kohn-Sham scheme, a total of 54 well defined local minima were located in the Potential Energy Surface. These structures were further analyzed through second-order many-body perturbation theory with an extended basis set at the MP2/6-311++G(d,p) level. Our analysis of Gibbs energies at several temperatures clearly suggests a structural preference toward compact water clusters interacting with the external methane molecule, instead of the more commonly known clathrate-like structures. This study shows that CH4-(H2O)12 clusters may be detected at temperatures up to 179 K, this finding provides strong support to a recently postulated hypothesis that suggests that methane-water clusters could be present in Mars at these conditions. Interestingly, we found that water to water hydrogen bonding is strengthened in the mixed clusters when compared to the isolated water dimer, which in turn leads to a weakening of the methane to water hydrogen bonding when compared to the CH4-(H2O) dimer. Finally, our evidence places a stern warning about the abilities of popular geometrical criteria to determine the existence of hydrogen bonds. PMID:27492605

  14. Molecular Level Design Principle behind Optimal Sizes of Photosynthetic LH2 Complex: Taming Disorder through Cooperation of Hydrogen Bonding and Quantum Delocalization.

    PubMed

    Jang, Seogjoo; Rivera, Eva; Montemayor, Daniel

    2015-03-19

    The light harvesting 2 (LH2) antenna complex from purple photosynthetic bacteria is an efficient natural excitation energy carrier with well-known symmetric structure, but the molecular level design principle governing its structure-function relationship is unknown. Our all-atomistic simulations of nonnatural analogues of LH2 as well as those of a natural LH2 suggest that nonnatural sizes of LH2-like complexes could be built. However, stable and consistent hydrogen bonding (HB) between bacteriochlorophyll and the protein is shown to be possible only near naturally occurring sizes, leading to significantly smaller disorder than for nonnatural ones. Extensive quantum calculations of intercomplex exciton transfer dynamics, sampled for a large set of disorder, reveal that taming the negative effect of disorder through a reliable HB as well as quantum delocalization of the exciton is a critical mechanism that makes LH2 highly functional, which also explains why the natural sizes of LH2 are indeed optimal. PMID:26262847

  15. Geometric Algebra for Physicists

    NASA Astrophysics Data System (ADS)

    Doran, Chris; Lasenby, Anthony

    2007-11-01

    Preface; Notation; 1. Introduction; 2. Geometric algebra in two and three dimensions; 3. Classical mechanics; 4. Foundations of geometric algebra; 5. Relativity and spacetime; 6. Geometric calculus; 7. Classical electrodynamics; 8. Quantum theory and spinors; 9. Multiparticle states and quantum entanglement; 10. Geometry; 11. Further topics in calculus and group theory; 12. Lagrangian and Hamiltonian techniques; 13. Symmetry and gauge theory; 14. Gravitation; Bibliography; Index.

  16. Simulation and optimization of Al-Fe aerospace alloy processed by laser surface remelting using geometric Multigrid solver and experimental validation

    NASA Astrophysics Data System (ADS)

    Pariona, Moisés Meza; de Oliveira, Fabiane; Teleginski, Viviane; Machado, Siliane; Pinto, Marcio Augusto Villela

    2016-05-01

    Al-1.5 wt% Fe alloy was irradiate by Yb-fiber laser beam using the laser surface remelting (LSR) technique, generating weld fillets that covered the whole surface of the sample. The laser-treatment showed to be an efficient technology for corrosion resistance improvements. In this study, the finite element method was used to simulate the solidification processes by LSR technique. The method Multigrid was employed in order to reduce the CPU time, which is important to the viability for industrial applications. Multigrid method is a technique very promising of optimization that reduced drastically the CPU time. The result was highly satisfactory, because the CPU time has fallen dramatically in comparison when it was not used Multigrid method. To validate the result of numerical simulation with the experimental result was done the microstructural characterization of laser-treated layer by the optical microscopy and SEM techniques and however, that both results showing be consistent.

  17. Optimizing geometric accuracy of four-dimensional CT scans acquired using the wall- and couch-mounted Varian® Real-time Position Management™ camera systems

    PubMed Central

    Irvine, D M; Cole, A J; Hanna, G G; McGarry, C K

    2015-01-01

    Objective: The aim of this study was to identify sources of anatomical misrepresentation owing to the location of camera mounting, tumour motion velocity and image processing artefacts in order to optimize the four-dimensional CT (4DCT) scan protocol and improve geometrical–temporal accuracy. Methods: A phantom with an imaging insert was driven with a sinusoidal superior–inferior motion of varying amplitude and period for 4DCT scanning. The length of a high-density cube within the insert was measured using treatment planning software to determine the accuracy of its spatial representation. Scan parameters were varied, including the tube rotation period and the cine time between reconstructed images. A CT image quality phantom was used to measure various image quality signatures under the scan parameters tested. Results: No significant difference in spatial accuracy was found for 4DCT scans carried out using the wall- or couch-mounted camera for sinusoidal target motion. Greater spatial accuracy was found for 4DCT scans carried out using a tube rotation speed of 0.5 s rather than 1.0 s. The reduction in image quality when using a faster rotation speed was not enough to require an increase in patient dose. Conclusion: The 4DCT accuracy may be increased by optimizing scan parameters, including choosing faster tube rotation speeds. Peak misidentification in the recorded breathing trace may lead to spatial artefacts, and this risk can be reduced by using a couch-mounted infrared camera. Advances in knowledge: This study explicitly shows that 4DCT scan accuracy is improved by scanning with a faster CT tube rotation speed. PMID:25470359

  18. Exploring New Geometric Worlds

    ERIC Educational Resources Information Center

    Nirode, Wayne

    2015-01-01

    When students work with a non-Euclidean distance formula, geometric objects such as circles and segment bisectors can look very different from their Euclidean counterparts. Students and even teachers can experience the thrill of creative discovery when investigating these differences among geometric worlds. In this article, the author describes a…

  19. On a novel rate theory for transport in narrow ion channels and its application to the study of flux optimization via geometric effects

    NASA Astrophysics Data System (ADS)

    Abad, E.; Reingruber, J.; Sansom, M. S. P.

    2009-02-01

    We present a novel rate theory based on the notions of splitting probability and mean first passage time to describe single-ion conduction in narrow, effectively one-dimensional membrane channels. In contrast to traditional approaches such as transition state theory or Kramers theory, transitions between different conduction states in our model are governed by rates which depend on the full geometry of the potential of mean force (PMF) resulting from the superposition of an equilibrium free energy profile and a transmembrane potential induced by a nonequilibrium constraint. If a detailed theoretical PMF is available (e.g., from atomistic molecular dynamics simulations), it can be used to compute characteristic conductance curves in the framework of our model, thereby bridging the gap between the atomistic and the mesoscopic level of description. Explicit analytic solutions for the rates, the ion flux, and the associated electric current can be obtained by approximating the actual PMF by a piecewise linear potential. As illustrative examples, we consider both a theoretical and an experimental application of the model. The theoretical example is based on a hypothetical channel with a fully symmetric sawtooth equilibrium PMF. For this system, we explore how changes in the spatial extent of the binding sites affect the rate of transport when a linear voltage ramp is applied. Already for the case of a single binding site, we find that there is an optimum size of the site which maximizes the current through the channel provided that the applied voltage exceeds a threshold value given by the binding energy of the site. The above optimization effect is shown to arise from the complex interplay between the channel structure and the applied electric field, expressed by a nonlinear dependence of the rates with respect to the linear size of the binding site. In studying the properties of current-voltage curves, we find a double crossover between sublinear and superlinear

  20. Geometrical frustration in the spin liquid β'-Me3EtSb[Pd(dmit)2]2 and the valence-bond solid Me3EtP[Pd(dmit)2]2.

    PubMed

    Scriven, E P; Powell, B J

    2012-08-31

    We show that the electronic structures of the title compounds predicted by density functional theory are well described by tight binding models. We determine the frustration ratio, J'/J, of the Heisenberg model on the anisotropic triangular lattice, which describes the spin degrees of freedom in the Mott insulating phase for a range of Pd(dmit)2 salts. All of the antiferromagnetic materials studied have J'/J is < or approximately equal to 0.5 or J'/J > or approximately equal to 0.9, and all salts with 0.5 < or approximately equal to J'/J < or approximately equal to 0.9 are known, experimentally, to be charge ordered valence-bond solids or spin liquids. PMID:23002879

  1. N-O versus N-N bond activation in reaction of N2O with carbon cluster ions: Experimental and ab initio studies of the effects of geometric and electronic structure

    NASA Astrophysics Data System (ADS)

    Resat, Marianne Sowa; Smolanoff, Jason N.; Goldman, Ilyse B.; Anderson, Scott L.

    1994-06-01

    We report a combined experimental and theoretical study of the reaction of small carbon cluster cations with N2O aimed at understanding the reaction mechanism and how it is affected by the electronic and geometric structure of the C+n reactants. Cross sections for reaction of C+n (n=3-12) with N2O were measured over a collision energy range from 0.1-10 eV, using a guided ion beam tandem mass spectrometer. Ab initio calculations were used to examine the structure and energetics of reactant and product species. Small clusters, which are linear, react with no activation barrier, resulting in either oxide or nitride formation. The branching between oxide and nitride channels shows a strong even-odd alternation, with even clusters preferentially forming nitrides. This appears to be correlated with an even/odd alternation in the ionization potential of the CnN. The larger, monocyclic C+n have activation barriers for reaction, and a completely different product distribution. Secondary reactions of the primary oxide and nitride products were studied at high N2O pressures. Products containing two O or two N atoms are not observed, but it is possible to add one of each. Possible reaction mechanisms are discussed and supported by thermochemistry derived from spin restricted ab initio calculations.

  2. Geometric intrinsic symmetries

    SciTech Connect

    Gozdz, A. Szulerecka, A.; Pedrak, A.

    2013-08-15

    The problem of geometric symmetries in the intrinsic frame of a many-body system (nucleus) is considered. An importance of symmetrization group notion is discussed. Ageneral structure of the intrinsic symmetry group structure is determined.

  3. Geometric Reasoning for Automated Planning

    NASA Technical Reports Server (NTRS)

    Clement, Bradley J.; Knight, Russell L.; Broderick, Daniel

    2012-01-01

    An important aspect of mission planning for NASA s operation of the International Space Station is the allocation and management of space for supplies and equipment. The Stowage, Configuration Analysis, and Operations Planning teams collaborate to perform the bulk of that planning. A Geometric Reasoning Engine is developed in a way that can be shared by the teams to optimize item placement in the context of crew planning. The ISS crew spends (at the time of this writing) a third or more of their time moving supplies and equipment around. Better logistical support and optimized packing could make a significant impact on operational efficiency of the ISS. Currently, computational geometry and motion planning do not focus specifically on the optimized orientation and placement of 3D objects based on multiple distance and containment preferences and constraints. The software performs reasoning about the manipulation of 3D solid models in order to maximize an objective function based on distance. It optimizes for 3D orientation and placement. Spatial placement optimization is a general problem and can be applied to object packing or asset relocation.

  4. Descriptive Geometry and Geometric Modeling.

    ERIC Educational Resources Information Center

    Adams, J. Alan

    1988-01-01

    Describes experiences for engineering students to develop spatial awareness and reasoning capability. Describes geometric modeling, basic geometric concepts, operations, surface modeling, and conclusions. (YP)

  5. Bond Issues.

    ERIC Educational Resources Information Center

    Pollack, Rachel H.

    2000-01-01

    Notes trends toward increased borrowing by colleges and universities and offers guidelines for institutions that are considering issuing bonds to raise money for capital projects. Discussion covers advantages of using bond financing, how use of bonds impacts on traditional fund raising, other cautions and concerns, and some troubling aspects of…

  6. Geometric optimization for radiation hardness assurance

    NASA Astrophysics Data System (ADS)

    Northum, J.; Guetersloh, S.

    The probability of a single event effect occurring is generally a function of the energy deposited in a sensitive volume, which is typically expressed as the absorbed dose in that volume. For short segments of high energy particle tracks, the dose due to a single event is proportional to the chord length through the sensitive volume. Thus, the distribution of dose in chord length is likely to relate to the probability of single event effects. For various geometries, a differential chord length distribution was generated and from this the dose distribution, frequency mean chord length, and dose mean chord length were calculated. In every case, the dose mean chord length was greater than the frequency mean chord length by a minimum of 26% and increased with the eccentricity of the volume. The large value of the dose mean chord length relative to the frequency mean chord length demonstrates the need to consider rare, long-chord-length crossings in radiation hardness testing, despite their relatively low probability of occurrence.

  7. Optimizing HVOF Spray Parameters to Maximize Bonding Strength of WC-CrC-Ni Coatings on AISI 304L Stainless Steel

    NASA Astrophysics Data System (ADS)

    Thiruvikraman, C.; Balasubramanian, V.; Sridhar, K.

    2014-06-01

    High velocity oxygen fuel (HVOF)-sprayed cermet coatings are extensively used to combat erosion-corrosion in naval applications and in slurry environments. HVOF spray parameters such as oxygen flow rate, fuel flow rate, powder feed rate, carrier gas flow rate, and spray distance have significant influence on coating characteristics like adhesion bond strength and shear strength. This paper presents the use of statistical techniques in particular response surface methodology (RSM), analysis of variance, and regression analysis to develop empirical relationships to predict adhesion bond strength and lap shear bond strength of HVOF-sprayed WC-CrC-Ni coatings. The developed empirical relationships can be effectively used to predict adhesion bond strength and lap shear bond strength of HVOF-sprayed WC-CrC-Ni coatings at 95% confidence level. Response graphs and contour plots were constructed to identify the optimum HVOF spray parameters to attain maximum bond strength in WC-CrC-Ni coatings.

  8. Halogen Bonding in Hypervalent Iodine Compounds.

    PubMed

    Catalano, Luca; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe; Terraneo, Giancarlo

    2016-01-01

    Halogen bonds occur when electrophilic halogens (Lewis acids) attractively interact with donors of electron density (Lewis bases). This term is commonly used for interactions undertaken by monovalent halogen derivatives. The aim of this chapter is to show that the geometric features of the bonding pattern around iodine in its hypervalent derivatives justify the understanding of some of the longer bonds as halogen bonds. We suggest that interactions directionality in ionic and neutral λ(3)-iodane derivatives is evidence that the electron density distribution around iodine atoms is anisotropic, a region of most positive electrostatic potential exists on the extensions of the covalent bonds formed by iodine, and these positive caps affect, or even determine, the crystal packing of these derivatives. For instance, the short cation-anion contacts in ionic λ(3)-iodane and λ(5)-iodane derivatives fully match the halogen bond definition and geometrical prerequisites. The same holds for the short contacts the cation of ionic λ(3)-iodanes forms with lone-pair donors or the short contacts given by neutral λ(3)-iodanes with incoming nucleophiles. The longer and weaker bonds formed by iodine in hypervalent compounds are usually called secondary bondings and we propose that the term halogen bond can also be used. Compared to the term secondary bond, halogen bond may possibly be more descriptive of some bonding features, e.g., its directionality and the relationships between structure of interacting groups and interaction strength. PMID:26809623

  9. Geometric requirements for multidisciplinary analysis of aerospace-vehicle design

    NASA Technical Reports Server (NTRS)

    Smith, Robert E.; Kerr, Patirca A.

    1992-01-01

    The geometric requirements for creating surfaces and grids for multidisciplinary analysis and optimization of aerospace-vehicle designs are described. Geometric surface representations are outlined and compared. Directions for future designs are proposed. High-speed civil transport aircraft configurations are targeted to demonstrate the processes.

  10. Inflation from geometrical tachyons

    SciTech Connect

    Thomas, Steven; Ward, John

    2005-10-15

    We propose an alternative formulation of tachyon inflation using the geometrical tachyon arising from the time dependent motion of a BPS D3-brane in the background geometry due to k parallel NS5-branes arranged around a ring of radius R. Because of the fact that the mass of this geometrical tachyon field is {radical}(2/k) times smaller than the corresponding open-string tachyon mass, we find that the slow-roll conditions for inflation and the number of e-foldings can be satisfied in a manner that is consistent with an effective 4-dimensional model and with a perturbative string coupling. We also show that the metric perturbations produced at the end of inflation can be sufficiently small and do not lead to the inconsistencies that plague the open-string tachyon models. Finally we argue for the existence of a minimum of the geometrical tachyon potential which could give rise to a traditional reheating mechanism.

  11. Bond stretching phonon softening and angle-resolved photoemission kinks in optimally doped Bi2Sr1:6La0:4Cu2O6+sigma superconductors

    SciTech Connect

    Graf, Jeff; d'Astuto, M.; Jozwiak, C.; Garcia, D.R.; Saini, N.L.; Krisch, M.; Ikeuchi, K.; Baron, A.Q.R.; Eisaki, H.; Lanzara, Alessandra

    2008-05-08

    We report the first measurement of the Cu-O bond stretching phonon dispersion in optimally doped Bi2Sr1.6La0.4Cu2O6+delta using inelastic x-ray scattering. We found a softening of this phonon at q=(0.25,0,0) from 76 to 60 meV, similar to the one reported in other cuprates. A comparison with angle-resolved photoemission data on the same sample revealed an excellent agreement in terms of energy and momentum between the angle-resolved photoemission nodal kink and the soft part of the bond stretching phonon. Indeed, we find that the momentum space where a 63+-5 meV kink is observed can be connected with a vector q=(xi,0,0) with xi>= 0.22, corresponding exactly to the soft part of the bond stretching phonon.

  12. Algebraic geometric codes

    NASA Technical Reports Server (NTRS)

    Shahshahani, M.

    1991-01-01

    The performance characteristics are discussed of certain algebraic geometric codes. Algebraic geometric codes have good minimum distance properties. On many channels they outperform other comparable block codes; therefore, one would expect them eventually to replace some of the block codes used in communications systems. It is suggested that it is unlikely that they will become useful substitutes for the Reed-Solomon codes used by the Deep Space Network in the near future. However, they may be applicable to systems where the signal to noise ratio is sufficiently high so that block codes would be more suitable than convolutional or concatenated codes.

  13. Valence State Driven Site Preference in the Quaternary Compound Ca5MgAgGe5: An Electron-Deficient Phase with Optimized Bonding

    SciTech Connect

    Ponou, Simeon; Lidin, Sven; Zhang, Yuemei; Miller, Gordon J.

    2014-04-18

    The quaternary phase Ca5Mg0.95Ag1.05(1)Ge5 (3) was synthesized by high-temperature solid-state techniques, and its crystal structure was determined by single-crystal diffraction methods in the orthorhombic space group Pnma – Wyckoff sequence c12 with a = 23.1481(4) Å, b = 4.4736(1) Å, c = 11.0128(2) Å, V = 1140.43(4) Å3, Z = 4. The crystal structure can be described as linear intergrowths of slabs cut from the CaGe (CrB-type) and the CaMGe (TiNiSi-type; M = Mg, Ag) structures. Hence, 3 is a hettotype of the hitherto missing n = 3 member of the structure series with the general formula R2+nT2X2+n, previously described with n = 1, 2, and 4. The member with n = 3 was predicted in the space group Cmcm – Wyckoff sequence f5c2. The experimental space group Pnma (in the nonstandard setting Pmcn) corresponds to a klassengleiche symmetry reduction of index two of the predicted space group Cmcm. This transition originates from the switching of one Ge and one Ag position in the TiNiSi-related slab, a process that triggers an uncoupling of each of the five 8f sites in Cmcm into two 4c sites in Pnma. The Mg/Ag site preference was investigated using VASP calculations and revealed a remarkable example of an intermetallic compound for which the electrostatic valency principle is a critical structure-directing force. The compound is deficient by one valence electron according to the Zintl concept, but LMTO electronic structure calculations indicate electronic stabilization and overall bonding optimization in the polyanionic network. Other stability factors beyond the Zintl concept that may account for the electronic stabilization are discussed.

  14. Adaptive Source Coding Schemes for Geometrically Distributed Integer Alphabets

    NASA Technical Reports Server (NTRS)

    Cheung, K-M.; Smyth, P.

    1993-01-01

    Revisit the Gallager and van Voorhis optimal source coding scheme for geometrically distributed non-negative integer alphabets and show that the various subcodes in the popular Rice algorithm can be derived from the Gallager and van Voorhis code.

  15. PREFACE: Geometrically frustrated magnetism Geometrically frustrated magnetism

    NASA Astrophysics Data System (ADS)

    Gardner, Jason S.

    2011-04-01

    Frustrated magnetism is an exciting and diverse field in condensed matter physics that has grown tremendously over the past 20 years. This special issue aims to capture some of that excitement in the field of geometrically frustrated magnets and is inspired by the 2010 Highly Frustrated Magnetism (HFM 2010) meeting in Baltimore, MD, USA. Geometric frustration is a broad phenomenon that results from an intrinsic incompatibility between some fundamental interactions and the underlying lattice geometry based on triangles and tetrahedra. Most studies have centred around the kagomé and pyrochlore based magnets but recent work has looked at other structures including the delafossite, langasites, hyper-kagomé, garnets and Laves phase materials to name a few. Personally, I hope this issue serves as a great reference to scientist both new and old to this field, and that we all continue to have fun in this very frustrated playground. Finally, I want to thank the HFM 2010 organizers and all the sponsors whose contributions were an essential part of the success of the meeting in Baltimore. Geometrically frustrated magnetism contents Spangolite: an s = 1/2 maple leaf lattice antiferromagnet? T Fennell, J O Piatek, R A Stephenson, G J Nilsen and H M Rønnow Two-dimensional magnetism and spin-size effect in the S = 1 triangular antiferromagnet NiGa2S4 Yusuke Nambu and Satoru Nakatsuji Short range ordering in the modified honeycomb lattice compound SrHo2O4 S Ghosh, H D Zhou, L Balicas, S Hill, J S Gardner, Y Qi and C R Wiebe Heavy fermion compounds on the geometrically frustrated Shastry-Sutherland lattice M S Kim and M C Aronson A neutron polarization analysis study of moment correlations in (Dy0.4Y0.6)T2 (T = Mn, Al) J R Stewart, J M Hillier, P Manuel and R Cywinski Elemental analysis and magnetism of hydronium jarosites—model kagome antiferromagnets and topological spin glasses A S Wills and W G Bisson The Herbertsmithite Hamiltonian: μSR measurements on single crystals

  16. Geometric grid generation

    NASA Technical Reports Server (NTRS)

    Ives, David

    1995-01-01

    This paper presents a highly automated hexahedral grid generator based on extensive geometrical and solid modeling operations developed in response to a vision of a designer-driven one day turnaround CFD process which implies a designer-driven one hour grid generation process.

  17. Untangling Geometric Ideas

    ERIC Educational Resources Information Center

    Burgess, Claudia R.

    2014-01-01

    Designed for a broad audience, including educators, camp directors, afterschool coordinators, and preservice teachers, this investigation aims to help individuals experience mathematics in unconventional and exciting ways by engaging them in the physical activity of building geometric shapes using ropes. Through this engagement, the author…

  18. A Geometric Scavenger Hunt

    ERIC Educational Resources Information Center

    Smart, Julie; Marshall, Jeff

    2007-01-01

    Children possess a genuine curiosity for exploring the natural world around them. One third grade teacher capitalized on this inherent trait by leading her students on "A Geometric Scavenger Hunt." The four-lesson inquiry investigation described in this article integrates mathematics and science. Among the students' discoveries was the fact that…

  19. Levels of Geometric Understanding.

    ERIC Educational Resources Information Center

    Pegg, John; Davey, Geoff

    1991-01-01

    Three activities are presented to assess the level of students' geometric understanding according to van Hiele learning model. The activities--Descriptions, Minimum Properties, and Class Inclusion--are applied to the example of classifying quadrilaterals as squares, rectangles, rhombi, or parallelograms. Implications of this assessment are…

  20. Pragmatic geometric model evaluation

    NASA Astrophysics Data System (ADS)

    Pamer, Robert

    2015-04-01

    Quantification of subsurface model reliability is mathematically and technically demanding as there are many different sources of uncertainty and some of the factors can be assessed merely in a subjective way. For many practical applications in industry or risk assessment (e. g. geothermal drilling) a quantitative estimation of possible geometric variations in depth unit is preferred over relative numbers because of cost calculations for different scenarios. The talk gives an overview of several factors that affect the geometry of structural subsurface models that are based upon typical geological survey organization (GSO) data like geological maps, borehole data and conceptually driven construction of subsurface elements (e. g. fault network). Within the context of the trans-European project "GeoMol" uncertainty analysis has to be very pragmatic also because of different data rights, data policies and modelling software between the project partners. In a case study a two-step evaluation methodology for geometric subsurface model uncertainty is being developed. In a first step several models of the same volume of interest have been calculated by omitting successively more and more input data types (seismic constraints, fault network, outcrop data). The positions of the various horizon surfaces are then compared. The procedure is equivalent to comparing data of various levels of detail and therefore structural complexity. This gives a measure of the structural significance of each data set in space and as a consequence areas of geometric complexity are identified. These areas are usually very data sensitive hence geometric variability in between individual data points in these areas is higher than in areas of low structural complexity. Instead of calculating a multitude of different models by varying some input data or parameters as it is done by Monte-Carlo-simulations, the aim of the second step of the evaluation procedure (which is part of the ongoing work) is to

  1. MM Algorithms for Geometric and Signomial Programming.

    PubMed

    Lange, Kenneth; Zhou, Hua

    2014-02-01

    This paper derives new algorithms for signomial programming, a generalization of geometric programming. The algorithms are based on a generic principle for optimization called the MM algorithm. In this setting, one can apply the geometric-arithmetic mean inequality and a supporting hyperplane inequality to create a surrogate function with parameters separated. Thus, unconstrained signomial programming reduces to a sequence of one-dimensional minimization problems. Simple examples demonstrate that the MM algorithm derived can converge to a boundary point or to one point of a continuum of minimum points. Conditions under which the minimum point is unique or occurs in the interior of parameter space are proved for geometric programming. Convergence to an interior point occurs at a linear rate. Finally, the MM framework easily accommodates equality and inequality constraints of signomial type. For the most important special case, constrained quadratic programming, the MM algorithm involves very simple updates. PMID:24634545

  2. Geometric direct search algorithms for image registration.

    PubMed

    Lee, Seok; Choi, Minseok; Kim, Hyungmin; Park, Frank Chongwoo

    2007-09-01

    A widely used approach to image registration involves finding the general linear transformation that maximizes the mutual information between two images, with the transformation being rigid-body [i.e., belonging to SE(3)] or volume-preserving [i.e., belonging to SL(3)]. In this paper, we present coordinate-invariant, geometric versions of the Nelder-Mead optimization algorithm on the groups SL(3), SE(3), and their various subgroups, that are applicable to a wide class of image registration problems. Because the algorithms respect the geometric structure of the underlying groups, they are numerically more stable, and exhibit better convergence properties than existing local coordinate-based algorithms. Experimental results demonstrate the improved convergence properties of our geometric algorithms. PMID:17784595

  3. MM Algorithms for Geometric and Signomial Programming

    PubMed Central

    Lange, Kenneth; Zhou, Hua

    2013-01-01

    This paper derives new algorithms for signomial programming, a generalization of geometric programming. The algorithms are based on a generic principle for optimization called the MM algorithm. In this setting, one can apply the geometric-arithmetic mean inequality and a supporting hyperplane inequality to create a surrogate function with parameters separated. Thus, unconstrained signomial programming reduces to a sequence of one-dimensional minimization problems. Simple examples demonstrate that the MM algorithm derived can converge to a boundary point or to one point of a continuum of minimum points. Conditions under which the minimum point is unique or occurs in the interior of parameter space are proved for geometric programming. Convergence to an interior point occurs at a linear rate. Finally, the MM framework easily accommodates equality and inequality constraints of signomial type. For the most important special case, constrained quadratic programming, the MM algorithm involves very simple updates. PMID:24634545

  4. Effect of bonding on the performance of a piezoactuator-based active control system

    NASA Technical Reports Server (NTRS)

    Baz, A.; Poh, S.

    1987-01-01

    The utilization of piezoelectric actuators in controlling the structural vibrations of flexible beams is studied. A Modified Independent Modal Space Control (MIMSC) method is devised to select the optimal location, control gains and excitation voltage of the piezoelectric actuators in a way that would minimize the amplitudes of vibrations of beams to which these actuators are bonded, as well as the input control energy necessary to suppress these vibrations. The presented method accounts for the effects that the piezoelectric actuators and the bonding layers have on changing the elastic and inertial properties of the flexible beams. Numerical examples are presented to illustrate the application of the MIMSC method and to demonstrate the effect of the physical and geometrical properties of the bonding layer on the dynamic performance of the actively controlled beams. The obtained results emphasize the importance of the devised method in designing more realistic active control systems for flexible beams, in particular, and large flexible structures in general.

  5. Institutional Bonding.

    ERIC Educational Resources Information Center

    Allard, M. June

    Institutional bonding was examined at a public, urban commuter college with exceptionally high attrition and visibly low morale. Changes in bonding and attrition were measured 6 years after a 2-year effort to develop school identity and student feelings of membership. It was found that a simple index of campus morale is provided by level of…

  6. Geometrical deuteron stripping revisited

    SciTech Connect

    Neoh, Y. S.; Yap, S. L.

    2014-03-05

    We investigate the reality of the idea of geometrical deuteron stripping originally envisioned by Serber. By taking into account of realistic deuteron wavefunction, nuclear density, and nucleon stopping mean free path, we are able to estimate inclusive deuteron stripping cross section for deuteron energy up to before pion production. Our semiclassical model contains only one global parameter constant for all nuclei which can be approximated by Woods-Saxon or any other spherically symmetric density distribution.

  7. Geometric measures of entanglement

    SciTech Connect

    Uyanik, K.; Turgut, S.

    2010-03-15

    The geometric measure of entanglement, which expresses the minimum distance to product states, has been generalized to distances to sets that remain invariant under the stochastic reducibility relation. For each such set, an associated entanglement monotone can be defined. The explicit analytical forms of these measures are obtained for bipartite entangled states. Moreover, the three-qubit case is discussed and it is argued that the distance to the W states is a new monotone.

  8. Geometric diffusion of quantum trajectories

    PubMed Central

    Yang, Fan; Liu, Ren-Bao

    2015-01-01

    A quantum object can acquire a geometric phase (such as Berry phases and Aharonov–Bohm phases) when evolving along a path in a parameter space with non-trivial gauge structures. Inherent to quantum evolutions of wavepackets, quantum diffusion occurs along quantum trajectories. Here we show that quantum diffusion can also be geometric as characterized by the imaginary part of a geometric phase. The geometric quantum diffusion results from interference between different instantaneous eigenstate pathways which have different geometric phases during the adiabatic evolution. As a specific example, we study the quantum trajectories of optically excited electron-hole pairs in time-reversal symmetric insulators, driven by an elliptically polarized terahertz field. The imaginary geometric phase manifests itself as elliptical polarization in the terahertz sideband generation. The geometric quantum diffusion adds a new dimension to geometric phases and may have applications in many fields of physics, e.g., transport in topological insulators and novel electro-optical effects. PMID:26178745

  9. Geometric diffusion of quantum trajectories.

    PubMed

    Yang, Fan; Liu, Ren-Bao

    2015-01-01

    A quantum object can acquire a geometric phase (such as Berry phases and Aharonov-Bohm phases) when evolving along a path in a parameter space with non-trivial gauge structures. Inherent to quantum evolutions of wavepackets, quantum diffusion occurs along quantum trajectories. Here we show that quantum diffusion can also be geometric as characterized by the imaginary part of a geometric phase. The geometric quantum diffusion results from interference between different instantaneous eigenstate pathways which have different geometric phases during the adiabatic evolution. As a specific example, we study the quantum trajectories of optically excited electron-hole pairs in time-reversal symmetric insulators, driven by an elliptically polarized terahertz field. The imaginary geometric phase manifests itself as elliptical polarization in the terahertz sideband generation. The geometric quantum diffusion adds a new dimension to geometric phases and may have applications in many fields of physics, e.g., transport in topological insulators and novel electro-optical effects. PMID:26178745

  10. Quantum computation using geometric algebra

    NASA Astrophysics Data System (ADS)

    Matzke, Douglas James

    This dissertation reports that arbitrary Boolean logic equations and operators can be represented in geometric algebra as linear equations composed entirely of orthonormal vectors using only addition and multiplication Geometric algebra is a topologically based algebraic system that naturally incorporates the inner and anticommutative outer products into a real valued geometric product, yet does not rely on complex numbers or matrices. A series of custom tools was designed and built to simplify geometric algebra expressions into a standard sum of products form, and automate the anticommutative geometric product and operations. Using this infrastructure, quantum bits (qubits), quantum registers and EPR-bits (ebits) are expressed symmetrically as geometric algebra expressions. Many known quantum computing gates, measurement operators, and especially the Bell/magic operators are also expressed as geometric products. These results demonstrate that geometric algebra can naturally and faithfully represent the central concepts, objects, and operators necessary for quantum computing, and can facilitate the design and construction of quantum computing tools.

  11. Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in SrxBa2-xSiO4:Eu2+ Orthosilicate Phosphors

    SciTech Connect

    Denault, Kristin A.; Brgoch, Jakoah; Gaultois, Michael W.; Mikhailovsky, Alexander; Petry, Ralf; Winkler, Holger; DenBaars, Steven P.; Seshadri, Ram

    2014-08-19

    The orthosilicate phosphors SrxBa2–xSiO4:Eu2+ have now been known for over four decades and have found extensive recent use in solid-state white lighting. It is well-recognized in the literature and in practice that intermediate compositions in the solid-solutions between the orthosilicates Sr2SiO4 and Ba2SiO4 yield the best phosphor hosts when the thermal stability of luminescence is considered. We employ a combination of synchrotron X-ray diffraction, total scattering measurements, density functional theory calculations, and low-temperature heat capacity measurements, in conjunction with detailed temperature- and time-resolved studies of luminescence properties to understand the origins of the improved luminescence properties. We observe that in the intermediate compositions, the two cation sites in the crystal structure are optimally bonded as determined from bond valence sum calculations. Optimal bonding results in a more rigid lattice, as established by the intermediate compositions possessing the highest Debye temperature, which are determined experimentally from low-temperature heat capacity measurements. Greater rigidity in turn results in the highest luminescence efficiency for intermediate compositions at elevated temperatures.

  12. Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of 4-chlorobenzothioamide

    NASA Astrophysics Data System (ADS)

    Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

    2013-09-01

    In the present work, the experimental and theoretical vibrational spectra of 4-chlorobenzothioamide were investigated. The FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of 4-chlorobenzothioamide in the solid phase were recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared and Raman intensities of the title molecule in the ground state were calculated using ab initio Hartree-Fock and density functional theory (B3LYP) methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and the theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 4-chlorobenzothioamide was also simulated to evaluate the effect of intermolecular hydrogen bonding on the vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while the in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯S hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.

  13. Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil

    NASA Astrophysics Data System (ADS)

    Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

    2014-06-01

    In the present work, the experimental and theoretical vibrational spectra of 5-hydroxymethyluracil were investigated. The FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase was recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared intensities of the title molecule in the ground state were calculated using density functional B3LYP and M06-2X methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data, and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 5-hydroxymethyluracil molecule was also simulated to evaluate the effect of intermolecular hydrogen bonding on its vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while its in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯O hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.

  14. Characteristics of hydrogen bond revealed from water clusters

    NASA Astrophysics Data System (ADS)

    Song, Yan; Chen, Hongshan; Zhang, Cairong; Zhang, Yan; Yin, Yuehong

    2014-09-01

    The hydrogen bond network is responsible for the exceptional physical and chemical properties of water, however, the description of hydrogen bond remains a challenge for the studies of condensed water. The investigation of structural and binding properties of water clusters provides a key for understanding the H-bonds in bulk water. In this paper, a new set of geometric parameters are defined to describe the extent of the overlap between the bonding orbital of the donor OH and the nonbonding orbital of the lone-pair of the acceptor molecule. This orbital overlap plays a dominant role for the strength of H-bonds. The dependences of the binding energy of the water dimer on these parameters are studied. The results show that these parameters properly describe the H-bond strength. The ring, book, cage and prism isomers of water hexamer form 6, 7, 8 and 9 H-bonds, and the strength of the bonding in these isomers changes markedly. The internally-solvated and the all-surface structures of (H2O) n for n = 17, 19 and 21 are nearly isoenergetic. The internally-solvated isomers form fewer but stronger H-bonds. The hydrogen bonding in the above clusters are investigated in detail. The geometric parameters can well describe the characters of the H-bonds, and they correlate well with the H-bond strength. For the structures forming stronger H-bonds, the H-bond lengths are shorter, the angle parameters are closer to the optimum values, and their rms deviations are smaller. The H-bonds emanating from DDAA and DDA molecules as H-donor are relatively weak. The vibrational spectra of (H2O) n ( n = 17, 19 and 21) are studied as well. The stretching vibration of the intramolecular OH bond is sensitive to its bonding environment. The H-bond strength judged from the geometric parameters is in good agreement with the bonding strength judged from the stretching frequencies.

  15. Intramolecular hydrogen bonding in 5-nitrosalicylaldehyde: IR spectrum and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Moosavi-Tekyeh, Zainab; Taherian, Fatemeh; Tayyari, Sayyed Faramarz

    2016-05-01

    The structural parameters, and vibrational frequencies of 5-nitrosalicylaldehyde (5NSA) were studied by the FT-IR and Raman spectra and the quantum chemical calculations carried out at the B3LYP/6-311++G(d,p) level of theory in order to investigate the intramolecular hydrogen bonding (IHB) present in its structure. The strength and nature of IHB in the optimized structure of 5NSA were studied in detail by means of the atoms in molecules (AIM) and the natural bond orbital (NBO) approaches. The results obtained were then compared with the corresponding data for its parent molecule, salicylaldehyde (SA). Comparisons made between the geometrical structures for 5NSA and SA, their OH/OD stretching and out-of-plane bending modes, their enthalpies for the hydrogen bond, and their AIM parameters demonstrated a stronger H-bonding in 5NSA compared with that in SA. The calculated binding enthalpy (ΔHbind) for 5NSA was -10.92 kcal mol-1. The observed νOH and γOH appeared at about 3120 cm-1 and 786 cm-1 respectively. The stretching frequency shift of H-bond formation was 426 cm-1 which is consistent with ΔHbind and the strength of H-bond in 5NSA. The delocalization energies and electron delocalization indices derived by the NBO and AIM approaches indicate that the resonance effects were responsible for the stronger IHB in 5NSA than in SA.

  16. Methods and apparatuses for signaling with geometric constellations

    NASA Technical Reports Server (NTRS)

    Barsoum, Maged F. (Inventor); Jones, Christopher R. (Inventor)

    2012-01-01

    Communication systems are described that use signal constellations, which have unequally spaced (i.e. geometrically shaped) points. In many embodiments, the communication systems use specific geometric constellations that are capacity optimized at a specific SNR. In addition, ranges within which the constellation points of a capacity optimized constellation can be perturbed and are still likely to achieve a given percentage of the optimal capacity increase compared to a constellation that maximizes d.sub.min, are also described. Capacity measures that are used in the selection of the location of constellation points include, but are not limited to, parallel decode (PD) capacity and joint capacity.

  17. Distinguishing Bonds.

    PubMed

    Rahm, Martin; Hoffmann, Roald

    2016-03-23

    The energy change per electron in a chemical or physical transformation, ΔE/n, may be expressed as Δχ̅ + Δ(VNN + ω)/n, where Δχ̅ is the average electron binding energy, a generalized electronegativity, ΔVNN is the change in nuclear repulsions, and Δω is the change in multielectron interactions in the process considered. The last term can be obtained by the difference from experimental or theoretical estimates of the first terms. Previously obtained consequences of this energy partitioning are extended here to a different analysis of bonding in a great variety of diatomics, including more or less polar ones. Arguments are presented for associating the average change in electron binding energy with covalence, and the change in multielectron interactions with electron transfer, either to, out, or within a molecule. A new descriptor Q, essentially the scaled difference between the Δχ̅ and Δ(VNN + ω)/n terms, when plotted versus the bond energy, separates nicely a wide variety of bonding types, covalent, covalent but more correlated, polar and increasingly ionic, metallogenic, electrostatic, charge-shift bonds, and dispersion interactions. Also, Q itself shows a set of interesting relations with the correlation energy of a bond. PMID:26910496

  18. Geometrical pattern learning

    SciTech Connect

    Goldberg, P.W.

    1993-04-01

    In this paper we consider the problem of learning the positions of spheres in metric spaces, given as data randomly drawn points classified according to whether they are internal or external to an unknown sphere. The particular metrics under consideration are geometrical shape metrics, and the results are intended to be applicable to the problem of learning to identify a shape from related shapes classified according to whether they resemble it visually. While it is typically NP-hard to locate a central point for a hypothesis sphere, we find that it is however often possible to obtain a non-spherical hypothesis which can accurately predict whether further random points lie within the unknown sphere. We exhibit algorithms which achieve this, and in the process indicate useful general techniques for computational learning. Finally we exhibit a natural shape metric and show that it defines a class of spheres not predictable in this sense, subject to standard cryptographic assumptions.

  19. Geometrical aspects of entanglement

    SciTech Connect

    Leinaas, Jon Magne; Myrheim, Jan; Ovrum, Eirik

    2006-07-15

    We study geometrical aspects of entanglement, with the Hilbert-Schmidt norm defining the metric on the set of density matrices. We focus first on the simplest case of two two-level systems and show that a 'relativistic' formulation leads to a complete analysis of the question of separability. Our approach is based on Schmidt decomposition of density matrices for a composite system and nonunitary transformations to a standard form. The positivity of the density matrices is crucial for the method to work. A similar approach works to some extent in higher dimensions, but is a less powerful tool. We further present a numerical method for examining separability and illustrate the method by a numerical study of bound entanglement in a composite system of two three-level systems.

  20. Information geometric nonlinear filtering

    NASA Astrophysics Data System (ADS)

    Newton, Nigel J.

    2015-06-01

    This paper develops information geometric representations for nonlinear filters in continuous time. The posterior distribution associated with an abstract nonlinear filtering problem is shown to satisfy a stochastic differential equation on a Hilbert information manifold. This supports the Fisher metric as a pseudo-Riemannian metric. Flows of Shannon information are shown to be connected with the quadratic variation of the process of posterior distributions in this metric. Apart from providing a suitable setting in which to study such information-theoretic properties, the Hilbert manifold has an appropriate topology from the point of view of multi-objective filter approximations. A general class of finite-dimensional exponential filters is shown to fit within this framework, and an intrinsic evolution equation, involving Amari's -1-covariant derivative, is developed for such filters. Three example systems, one of infinite dimension, are developed in detail.

  1. Imperfect Geometric Control and Overdamping for The Damped Wave Equation

    NASA Astrophysics Data System (ADS)

    Burq, Nicolas; Christianson, Hans

    2015-05-01

    We consider the damped wave equation on a manifold with imperfect geometric control. We show the sub-exponential energy decay estimate in (Christianson, J Funct Anal 258(3):1060-1065, 2010) is optimal in the case of one hyperbolic periodic geodesic. We show if the equation is overdamped, then the energy decays exponentially. Finally we show if the equation is overdamped but geometric control fails for one hyperbolic periodic geodesic, then nevertheless the energy decays exponentially.

  2. Generalized Geometric Quantum Speed Limits

    NASA Astrophysics Data System (ADS)

    Pires, Diego Paiva; Cianciaruso, Marco; Céleri, Lucas C.; Adesso, Gerardo; Soares-Pinto, Diogo O.

    2016-04-01

    The attempt to gain a theoretical understanding of the concept of time in quantum mechanics has triggered significant progress towards the search for faster and more efficient quantum technologies. One of such advances consists in the interpretation of the time-energy uncertainty relations as lower bounds for the minimal evolution time between two distinguishable states of a quantum system, also known as quantum speed limits. We investigate how the nonuniqueness of a bona fide measure of distinguishability defined on the quantum-state space affects the quantum speed limits and can be exploited in order to derive improved bounds. Specifically, we establish an infinite family of quantum speed limits valid for unitary and nonunitary evolutions, based on an elegant information geometric formalism. Our work unifies and generalizes existing results on quantum speed limits and provides instances of novel bounds that are tighter than any established one based on the conventional quantum Fisher information. We illustrate our findings with relevant examples, demonstrating the importance of choosing different information metrics for open system dynamics, as well as clarifying the roles of classical populations versus quantum coherences, in the determination and saturation of the speed limits. Our results can find applications in the optimization and control of quantum technologies such as quantum computation and metrology, and might provide new insights in fundamental investigations of quantum thermodynamics.

  3. Insights on hydrogen-bond lifetimes in liquid and supercooled water.

    PubMed

    Martiniano, H F M C; Galamba, N

    2013-12-19

    We study the temperature dependence of the lifetime of geometric and geometric/energetic water hydrogen-bonds (H-bonds), down to supercooled water, through molecular dynamics. The probability and lifetime of H-bonds that break either by translational or librational motions and those of energetic broken H-bonds, along with the effects of transient broken H-bonds and transient H-bonds, are considered. We show that the fraction of transiently broken energetic H-bonds increases at low temperatures and that this energetic breakdown is caused by oxygen-oxygen electrostatic repulsions upon too small amplitude librations to disrupt geometric H-bonds. Hence, differences between geometric and energetic continuous H-bond lifetimes are associated with large H-bond energy fluctuations, in opposition to moderate geometric fluctuations, within common energetic and geometric H-bond definition thresholds. Exclusion of transient broken H-bonds and transient H-bonds leads to H-bond definition-independent mean lifetimes and activation energies, ~11 kJ/mol, consistent with the reactive flux method and experimental scattering results. Further, we show that power law decay of specific temporal H-bond lifetime probability distributions is associated with librational and translational motions that occur on the time scale (~0.1 ps) of H-bond breaking /re-forming dynamics. While our analysis is diffusion-free, the effect of diffusion on H-bond probability distributions where H-bonds are allowed to break and re-form, switching acceptors in between, is shown to result in neither exponential nor power law decay, similar to the reactive flux correlation function. PMID:24279452

  4. Yankee bonds

    SciTech Connect

    Delaney, P. )

    1993-10-01

    Yankee and Euromarket bonds may soon find their way into the financing of power projects in Latin America. For developers seeking long-term commitments under build, own, operate, and transfer (BOOT) power projects in Latin America, the benefits are substantial.

  5. Enhancing geometric reasoning.

    PubMed

    Mistretta, R M

    2000-01-01

    Geometry is an important part of the mathematics curriculum. However, students are not demonstrating strong conceptual knowledge of this subject. The research of Van Hiele and Van Hiele-Geldof has focused on the concept of thinking levels in geometry and the role of instruction in raising levels of thinking. This paper describes a field trial of a supplemental geometry unit intended to raise Van Hiele thinking levels in a group of 23 eighth-grade students by having them become more adept at using higher order thinking skills. Sample questions assessing particular Van Hiele thinking levels and attitudes toward geometry, as well as field-tested activities yielding the most positive results, are presented. Educators can benefit from this application of the Van Hiele model of geometric thinking, since the thought processes involved in learning geometry are explained, along with teaching techniques and tools for assessment. By having teachers become more aware of their students' cognitive skills, attitudes, and misconceptions, teaching practices and student achievement can be enhanced. PMID:11019778

  6. Diffusion bonding

    DOEpatents

    Anderson, Robert C.

    1976-06-22

    1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.

  7. Amino-Functionalized Multiwalled Carbon Nanotubes Lead to Successful Ring-Opening Polymerization of Poly(ε-caprolactone): Enhanced Interfacial Bonding and Optimized Mechanical Properties.

    PubMed

    Roumeli, Eleftheria; Papageorgiou, Dimitrios G; Tsanaktsis, Vasilios; Terzopoulou, Zoe; Chrissafis, Konstantinos; Avgeropoulos, Apostolos; Bikiaris, Dimitrios N

    2015-06-01

    In this work, the synthesis, structural characteristics, interfacial bonding, and mechanical properties of poly(ε-caprolactone) (PCL) nanocomposites with small amounts (0.5, 1.0, and 2.5 wt %) of amino-functionalized multiwalled carbon nanotubes (f-MWCNTs) prepared by ring-opening polymerization (ROP) are reported. This method allows the creation of a covalent-bonding zone on the surface of nanotubes, which leads to efficient debundling and therefore satisfactory dispersion and effective load transfer in the nanocomposites. The high covalent grafting extent combined with the higher crystallinity provide the basis for a significant enhancement of the mechanical properties, which was detected in the composites with up to 1 wt % f-MWCNTs. Increasing filler concentration encourages intrinsic aggregation forces, which allow only minor grafting efficiency and poorer dispersion and hence inferior mechanical performance. f-MWCNTs also cause a significant improvement on the polymerization reaction of PCL. Indeed, the in situ polymerization kinetics studies reveal a significant decrease in the reaction temperature, by a factor of 30-40 °C, combined with accelerated the reaction kinetics during initiation and propagation and a drastically reduced effective activation energy. PMID:25950403

  8. Aerospace plane guidance using geometric control theory

    NASA Technical Reports Server (NTRS)

    Van Buren, Mark A.; Mease, Kenneth D.

    1990-01-01

    A reduced-order method employing decomposition, based on time-scale separation, of the 4-D state space in a 2-D slow manifold and a family of 2-D fast manifolds is shown to provide an excellent approximation to the full-order minimum-fuel ascent trajectory. Near-optimal guidance is obtained by tracking the reduced-order trajectory. The tracking problem is solved as regulation problems on the family of fast manifolds, using the exact linearization methodology from nonlinear geometric control theory. The validity of the overall guidance approach is indicated by simulation.

  9. DFT OPTIMIZATION STUDIES OF ALPHA-MALTOSE: ISO-ENERGETIC AND INTERNAL COORDINATE CONTOUR MAPS UPON ROTATION ABOUT THE GLYCOSIDIC BONDS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The disaccharide alpha-maltose is a molecular template for amylose. Our previous DFT work on maltose is expanded to a set of 63 fully optimized (B3LYP/6-311++G**) conformations. All clockwise, and counter clockwise hydroxyl groups, as well as 'kink' and band-slip conformers, are studied. Adiabati...

  10. Assessment of Orbital-Optimized MP2.5 for Thermochemistry and Kinetics: Dramatic Failures of Standard Perturbation Theory Approaches for Aromatic Bond Dissociation Energies and Barrier Heights of Radical Reactions.

    PubMed

    Soydaş, Emine; Bozkaya, Uğur

    2015-04-14

    An assessment of orbital-optimized MP2.5 (OMP2.5) [ Bozkaya, U.; Sherrill, C. D. J. Chem. Phys. 2014, 141, 204105 ] for thermochemistry and kinetics is presented. The OMP2.5 method is applied to closed- and open-shell reaction energies, barrier heights, and aromatic bond dissociation energies. The performance of OMP2.5 is compared with that of the MP2, OMP2, MP2.5, MP3, OMP3, CCSD, and CCSD(T) methods. For most of the test sets, the OMP2.5 method performs better than MP2.5 and CCSD, and provides accurate results. For barrier heights of radical reactions and aromatic bond dissociation energies OMP2.5-MP2.5, OMP2-MP2, and OMP3-MP3 differences become obvious. Especially, for aromatic bond dissociation energies, standard perturbation theory (MP) approaches dramatically fail, providing mean absolute errors (MAEs) of 22.5 (MP2), 17.7 (MP2.5), and 12.8 (MP3) kcal mol(-1), while the MAE values of the orbital-optimized counterparts are 2.7, 2.4, and 2.4 kcal mol(-1), respectively. Hence, there are 5-8-folds reductions in errors when optimized orbitals are employed. Our results demonstrate that standard MP approaches dramatically fail when the reference wave function suffers from the spin-contamination problem. On the other hand, the OMP2.5 method can reduce spin-contamination in the unrestricted Hartree-Fock (UHF) initial guess orbitals. For overall evaluation, we conclude that the OMP2.5 method is very helpful not only for challenging open-shell systems and transition-states but also for closed-shell molecules. Hence, one may prefer OMP2.5 over MP2.5 and CCSD as an O(N(6)) method, where N is the number of basis functions, for thermochemistry and kinetics. The cost of the OMP2.5 method is comparable with that of CCSD for energy computations. However, for analytic gradient computations, the OMP2.5 method is only half as expensive as CCSD. PMID:26574366

  11. Pi Bond Orders and Bond Lengths

    ERIC Educational Resources Information Center

    Herndon, William C.; Parkanyi, Cyril

    1976-01-01

    Discusses three methods of correlating bond orders and bond lengths in unsaturated hydrocarbons: the Pauling theory, the Huckel molecular orbital technique, and self-consistent-field techniques. (MLH)

  12. The geometric resistivity correction factor for several geometrical samples

    NASA Astrophysics Data System (ADS)

    Yilmaz, Serdar

    2015-08-01

    This paper reviews the geometric resistivity correction factor of the 4-point probe DC electrical conductivity measurement method using several geometrical samples. During the review of the literature, only the articles that include the effect of geometry on resistivity calculation were considered. Combinations of equations used for various geometries were also given. Mathematical equations were given in the text without details. Expressions for the most commonly used geometries were presented in a table for easy reference.

  13. Geometric algorithms for sensor networks.

    PubMed

    Gao, Jie; Guibas, Leonidas

    2012-01-13

    This paper surveys the use of geometric methods for wireless sensor networks. The close relationship of sensor nodes with their embedded physical space imposes a unique geometric character on such systems. The physical locations of the sensor nodes greatly impact on system design in all aspects, from low-level networking and organization to high-level information processing and applications. This paper reviews work in the past 10 years on topics such as network localization, geometric routing, information discovery, data-centric routing and topology discovery. PMID:22124080

  14. Geometric approaches to mesh generation

    SciTech Connect

    Hoffmann, C.M.

    1995-12-31

    We review three approaches to mesh generation that axe based on analyzing and accounting for the geometric structure of the domain. In the first approach, due to Armstrong, the domain is partitioned into subdomains based on the medial-axis transform, a tool for analyzing spatial structures. In the second approach, due to Cox, the design history defines a geometric structure of the domain. The design primitives of that structure are meshed separately, and mesh overlap is accounted for by coupling equations. The third approach argues that mesh generation ought to be integrated into the shape design process, by meshing design features separately and resolving overlapping meshes by standard geometric computations.

  15. Geometric phase shifting digital holography.

    PubMed

    Jackin, Boaz Jessie; Narayanamurthy, C S; Yatagai, Toyohiko

    2016-06-01

    A new phase shifting digital holographic technique using a purely geometric phase in Michelson interferometric geometry is proposed. The geometric phase in the system does not depend upon either optical path length or wavelength, unlike dynamic phase. The amount of geometric phase generated is controllable through a rotating wave plate. The new approach has unique features and major advantages in holographic measurement of transparent and reflecting three-dimensional (3D) objects. Experimental results on surface shape measurement and imaging of 3D objects are presented using the proposed method. PMID:27244436

  16. Geometric Effects on Electron Cloud

    SciTech Connect

    Wang, L

    2007-07-06

    The development of an electron cloud in the vacuum chambers of high intensity positron and proton storage rings may limit the machine performances by inducing beam instabilities, beam emittance increase, beam loss, vacuum pressure increases and increased heat load on the vacuum chamber wall. The electron multipacting is a kind of geometric resonance phenomenon and thus is sensitive to the geometric parameters such as the aperture of the beam pipe, beam shape and beam bunch fill pattern, etc. This paper discusses the geometric effects on the electron cloud build-up in a beam chamber and examples are given for different beams and accelerators.

  17. Bonded Lubricants

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Another spinoff to the food processing industry involves a dry lubricant developed by General Magnaplate Corp. of Linden, N.J. Used in such spacecraft as Apollo, Skylab and Viking, the lubricant is a coating bonded to metal surfaces providing permanent lubrication and corrosion resistance. The coating lengthens equipment life and permits machinery to be operated at greater speed, thus increasing productivity and reducing costs. Bonded lubricants are used in scores of commercia1 applications. They have proved particularly valuable to food processing firms because, while increasing production efficiency, they also help meet the stringent USDA sanitation codes for food-handling equipment. For example, a cookie manufacturer plagued production interruptions because sticky batter was clogging the cookie molds had the brass molds coated to solve the problem. Similarly, a pasta producer faced USDA action on a sanitation violation because dough was clinging to an automatic ravioli-forming machine; use of the anti-stick coating on the steel forming plates solved the dual problem of sanitation deficiency and production line downtime.

  18. Current Concept of Geometrical Accuracy

    NASA Astrophysics Data System (ADS)

    Görög, Augustín; Görögová, Ingrid

    2014-06-01

    Within the solving VEGA 1/0615/12 research project "Influence of 5-axis grinding parameters on the shank cutteŕs geometric accuracy", the research team will measure and evaluate geometrical accuracy of the produced parts. They will use the contemporary measurement technology (for example the optical 3D scanners). During the past few years, significant changes have occurred in the field of geometrical accuracy. The objective of this contribution is to analyse the current standards in the field of geometric tolerance. It is necessary to bring an overview of the basic concepts and definitions in the field. It will prevent the use of outdated and invalidated terms and definitions in the field. The knowledge presented in the contribution will provide the new perspective of the measurement that will be evaluated according to the current standards.

  19. Guitars, Violins, and Geometric Sequences

    ERIC Educational Resources Information Center

    Barger, Rita; Haehl, Martha

    2007-01-01

    This article describes middle school mathematics activities that relate measurement, ratios, and geometric sequences to finger positions or the placement of frets on stringed musical instruments. (Contains 2 figures and 2 tables.)

  20. Basics of Fidelity Bonding.

    ERIC Educational Resources Information Center

    Kahn, Steven P.

    Fidelity bonds are important for an agency to hold to protect itself against any financial loss that can result from dishonest acts by its employees. Three types of fidelity bonds are available to an agency: (1) public official bonds; (2) dishonesty bonds; and (3) faithful performance bonds. Public official bonds are required by state law to be…

  1. Algorithms of NCG geometrical module

    NASA Astrophysics Data System (ADS)

    Gurevich, M. I.; Pryanichnikov, A. V.

    2012-12-01

    The methods and algorithms of the versatile NCG geometrical module used in the MCU code system are described. The NCG geometrical module is based on the Monte Carlo method and intended for solving equations of particle transport. The versatile combinatorial body method, the grid method, and methods of equalized cross sections and grain structures are used for description of the system geometry and calculation of trajectories.

  2. Algorithms of NCG geometrical module

    SciTech Connect

    Gurevich, M. I.; Pryanichnikov, A. V.

    2012-12-15

    The methods and algorithms of the versatile NCG geometrical module used in the MCU code system are described. The NCG geometrical module is based on the Monte Carlo method and intended for solving equations of particle transport. The versatile combinatorial body method, the grid method, and methods of equalized cross sections and grain structures are used for description of the system geometry and calculation of trajectories.

  3. Antenna with Dielectric Having Geometric Patterns

    NASA Technical Reports Server (NTRS)

    Dudley, Kenneth L. (Inventor); Elliott, Holly A. (Inventor); Cravey, Robin L. (Inventor); Connell, John W. (Inventor); Ghose, Sayata (Inventor); Watson, Kent A. (Inventor); Smith, Jr., Joseph G. (Inventor)

    2013-01-01

    An antenna includes a ground plane, a dielectric disposed on the ground plane, and an electrically-conductive radiator disposed on the dielectric. The dielectric includes at least one layer of a first dielectric material and a second dielectric material that collectively define a dielectric geometric pattern, which may comprise a fractal geometry. The radiator defines a radiator geometric pattern, and the dielectric geometric pattern is geometrically identical, or substantially geometrically identical, to the radiator geometric pattern.

  4. Algebraic, geometric, and stochastic aspects of genetic operators

    NASA Technical Reports Server (NTRS)

    Foo, N. Y.; Bosworth, J. L.

    1972-01-01

    Genetic algorithms for function optimization employ genetic operators patterned after those observed in search strategies employed in natural adaptation. Two of these operators, crossover and inversion, are interpreted in terms of their algebraic and geometric properties. Stochastic models of the operators are developed which are employed in Monte Carlo simulations of their behavior.

  5. Geometric Mixing, Peristalsis, and the Geometric Phase of the Stomach

    PubMed Central

    Arrieta, Jorge; Cartwright, Julyan H. E.; Gouillart, Emmanuelle; Piro, Nicolas; Piro, Oreste; Tuval, Idan

    2015-01-01

    Mixing fluid in a container at low Reynolds number— in an inertialess environment—is not a trivial task. Reciprocating motions merely lead to cycles of mixing and unmixing, so continuous rotation, as used in many technological applications, would appear to be necessary. However, there is another solution: movement of the walls in a cyclical fashion to introduce a geometric phase. We show using journal-bearing flow as a model that such geometric mixing is a general tool for using deformable boundaries that return to the same position to mix fluid at low Reynolds number. We then simulate a biological example: we show that mixing in the stomach functions because of the “belly phase,” peristaltic movement of the walls in a cyclical fashion introduces a geometric phase that avoids unmixing. PMID:26154384

  6. Geometric Mixing, Peristalsis, and the Geometric Phase of the Stomach.

    PubMed

    Arrieta, Jorge; Cartwright, Julyan H E; Gouillart, Emmanuelle; Piro, Nicolas; Piro, Oreste; Tuval, Idan

    2015-01-01

    Mixing fluid in a container at low Reynolds number--in an inertialess environment--is not a trivial task. Reciprocating motions merely lead to cycles of mixing and unmixing, so continuous rotation, as used in many technological applications, would appear to be necessary. However, there is another solution: movement of the walls in a cyclical fashion to introduce a geometric phase. We show using journal-bearing flow as a model that such geometric mixing is a general tool for using deformable boundaries that return to the same position to mix fluid at low Reynolds number. We then simulate a biological example: we show that mixing in the stomach functions because of the "belly phase," peristaltic movement of the walls in a cyclical fashion introduces a geometric phase that avoids unmixing. PMID:26154384

  7. Pauling bond strength, bond length and electron density distribution

    SciTech Connect

    Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.; Rosso, Kevin M.; Iversen, Bo B.; Spackman, M. A.

    2014-01-18

    A power law regression equation, = 1.46(<ρ(rc)>/r)-0.19, connecting the average experimental bond lengths, , with the average accumulation of the electron density at the bond critical point, <ρ(rc)>, between bonded metal M and oxygen atoms, determined at ambient conditions for oxide crystals, where r is the row number of the M atom, is similar to the regression equation R(M-O) = 1.39(ρ(rc)/r)-0.21 determined for three perovskite crystals for pressures as high as 80 GPa. The two equations are also comparable with those, = 1.43(/r)-0.21, determined for a large number of oxide crystals at ambient conditions and = 1.39(/r)-0.22, determined for geometry optimized hydroxyacid molecules, that connect the bond lengths to the average Pauling electrostatic bond strength, , for the M-O bonded interactions. On the basis of the correspondence between the two sets of equations connecting ρ(rc) and the Pauling bond strength s with bond length, it appears that Pauling’s simple definition of bond strength closely mimics the accumulation of the electron density between bonded pairs of atoms. The similarity of the expressions for the crystals and molecules is compelling evidence that the M-O bonded interactions for the crystals and molecules 2 containing the same bonded interactions are comparable. Similar expressions, connecting bond lengths and bond strength, have also been found to hold for fluoride, nitride and sulfide molecules and crystals. The Brown-Shannon bond valence, σ, power law expression σ = [R1/(R(M-O)]N that has found wide use in crystal chemistry, is shown to be connected to a more universal expression determined for oxides and the perovskites, <ρ(rc)> = r[(1.41)/]4.76, demonstrating that the bond valence for a bonded interaction is likewise closely connected to the accumulation of the electron density between the bonded atoms. Unlike the Brown-Shannon expression, it is universal in that it holds for the M

  8. On the Electronic and Geometric Structures of Armchair GeC Nanotubes: A Hybrid Density Functional Study

    NASA Astrophysics Data System (ADS)

    Rathi, Somilkumar; Ray, Asok

    2008-03-01

    Ab initio calculations within the framework of hybrid density functional theory and finite cluster approximation have been performed for the electronic and geometric structures of three different types of armchair germanium carbide nanotubes from (3, 3) to (11, 11). Full geometry and spin optimizations with unrestricted symmetry have been performed. A detailed comparison of the structures and stabilities of the three types of nanotubes will be presented. The dependence of the electronic band gaps on the respective tube diameters, energy density of states, dipole moments as well as Mulliken charge distributions have been investigated. Radial buckling of tube along with bond length variations is also studied. All armchair GeC nanotubes investigated so far are semiconducting in nature. Applications in the field of nano-optoelectronic devices, molecular electronics and band gap engineering are envisioned for GeC nanotubes.

  9. Comprehensive analysis of individual pulp fiber bonds quantifies the mechanisms of fiber bonding in paper.

    PubMed

    Hirn, Ulrich; Schennach, Robert

    2015-01-01

    The process of papermaking requires substantial amounts of energy and wood consumption, which contributes to larger environmental costs. In order to optimize the production of papermaking to suit its many applications in material science and engineering, a quantitative understanding of bonding forces between the individual pulp fibers is of importance. Here we show the first approach to quantify the bonding energies contributed by the individual bonding mechanisms. We calculated the impact of the following mechanisms necessary for paper formation: mechanical interlocking, interdiffusion, capillary bridges, hydrogen bonding, Van der Waals forces, and Coulomb forces on the bonding energy. Experimental results quantify the area in molecular contact necessary for bonding. Atomic force microscopy experiments derive the impact of mechanical interlocking. Capillary bridges also contribute to the bond. A model based on the crystal structure of cellulose leads to values for the chemical bonds. In contrast to general believe which favors hydrogen bonding Van der Waals bonds play the most important role according to our model. Comparison with experimentally derived bond energies support the presented model. This study characterizes bond formation between pulp fibers leading to insight that could be potentially used to optimize the papermaking process, while reducing energy and wood consumption. PMID:26000898

  10. Comprehensive analysis of individual pulp fiber bonds quantifies the mechanisms of fiber bonding in paper

    NASA Astrophysics Data System (ADS)

    Hirn, Ulrich; Schennach, Robert

    2015-05-01

    The process of papermaking requires substantial amounts of energy and wood consumption, which contributes to larger environmental costs. In order to optimize the production of papermaking to suit its many applications in material science and engineering, a quantitative understanding of bonding forces between the individual pulp fibers is of importance. Here we show the first approach to quantify the bonding energies contributed by the individual bonding mechanisms. We calculated the impact of the following mechanisms necessary for paper formation: mechanical interlocking, interdiffusion, capillary bridges, hydrogen bonding, Van der Waals forces, and Coulomb forces on the bonding energy. Experimental results quantify the area in molecular contact necessary for bonding. Atomic force microscopy experiments derive the impact of mechanical interlocking. Capillary bridges also contribute to the bond. A model based on the crystal structure of cellulose leads to values for the chemical bonds. In contrast to general believe which favors hydrogen bonding Van der Waals bonds play the most important role according to our model. Comparison with experimentally derived bond energies support the presented model. This study characterizes bond formation between pulp fibers leading to insight that could be potentially used to optimize the papermaking process, while reducing energy and wood consumption.

  11. Simulation on Measurement Method of Geometric Distortion of Telescopes

    NASA Astrophysics Data System (ADS)

    Li, F.; Ren, S. L.

    2015-11-01

    Measuring the geometric distortion is conducive to improve the astrometric accuracy of telescopes, which is meaningful for many disciplines of astronomy, such as stellar clusters, natural satellites, asteroids, comets, and the other celestial bodies in the solar system. For this reason, researchers have developed an iterative self-calibration method to measure the geometric distortion of telescopes by observing a dense star field in the dithering mode, and have achieved many good results. However, the previous work did not constrain the density of star field or the dithering number in the observing mode, but chose relative good conditions to observe, which took up much observing time. In order to explore the validity of self-calibration method, and optimize its observing conditions, it is necessary to carry out the corresponding simulation. Firstly, we introduce the self-calibration method in detail in the present work. By the simulation method, the effectiveness of self-calibration method to give the geometric distortion is proved, and the observing conditions, such as the density of star field and dithering number, are optimized to give the geometric distortion with a high accuracy. Considering the practical application for correcting the geometric distortion, we also analyze the relation between the number of reference stars in the field of view and the astrometric accuracy by virtue of the simulation method.

  12. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers

    NASA Astrophysics Data System (ADS)

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-07-01

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers.

  13. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers

    PubMed Central

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-01-01

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers. PMID:27403589

  14. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers.

    PubMed

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-01-01

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers. PMID:27403589

  15. Geometric scalar theory of gravity

    SciTech Connect

    Novello, M.; Bittencourt, E.; Goulart, E.; Salim, J.M.; Toniato, J.D.; Moschella, U. E-mail: eduhsb@cbpf.br E-mail: egoulart@cbpf.br E-mail: toniato@cbpf.br

    2013-06-01

    We present a geometric scalar theory of gravity. Our proposal will be described using the ''background field method'' introduced by Gupta, Feynman, Deser and others as a field theory formulation of general relativity. We analyze previous criticisms against scalar gravity and show how the present proposal avoids these difficulties. This concerns not only the theoretical complaints but also those related to observations. In particular, we show that the widespread belief of the conjecture that the source of scalar gravity must be the trace of the energy-momentum tensor — which is one of the main difficulties to couple gravity with electromagnetic phenomenon in previous models — does not apply to our geometric scalar theory. From the very beginning this is not a special relativistic scalar gravity. The adjective ''geometric'' pinpoints its similarity with general relativity: this is a metric theory of gravity. Some consequences of this new scalar theory are explored.

  16. Geometrical modelling of textile reinforcements

    NASA Technical Reports Server (NTRS)

    Pastore, Christopher M.; Birger, Alexander B.; Clyburn, Eugene

    1995-01-01

    The mechanical properties of textile composites are dictated by the arrangement of yarns contained with the material. Thus to develop a comprehensive understanding of the performance of these materials, it is necessary to develop a geometrical model of the fabric structure. This task is quite complex, as the fabric is made form highly flexible yarn systems which experience a certain degree of compressability. Furthermore there are tremendous forces acting on the fabric during densification typically resulting in yarn displacement and misorientation. The objective of this work is to develop a methodology for characterizing the geometry of yarns within a fabric structure including experimental techniques for evaluating these models. Furthermore, some applications of these geometric results to mechanical prediction models are demonstrated. Although more costly than its predecessors, the present analysis is based on the detailed architecture developed by one of the authors and his colleagues and accounts for many of the geometric complexities that other analyses ignore.

  17. A novel bonding method for fabrication of PET planar nanofluidic chip with low dimension loss and high bonding strength

    NASA Astrophysics Data System (ADS)

    Yin, Zhifu; Qi, Liping; Zou, Helin; Sun, Lei; Xu, Shenbo

    2015-08-01

    Plastic planar nanofluidic chips are becoming increasingly important for biological and chemical applications. However, the majority of the present bonding methods for planar nanofluidic chips suffer from high dimension loss and low bonding strength. In this work, a novel thermal bonding technique based on O2 plasma and ethanol treatment was proposed. With the assistance of O2 plasma and ethanol, the PET (polyethylene terephthalate) planar nanofluidic chip can be bonded at a low bonding temperature of 50 °C. To increase the bonding rate and bonding strength, the O2 plasma parameters and thermal bonding parameters were optimized during the bonding process. The tensile test indicates that the bonding strength of the PET planar nanofluidic chip can reach 0.954 MPa, while the auto-fluorescence test demonstrates that there is no leakage or blockage in any of the bonded micro- or nanochannels.

  18. Geometric pumping in autophoretic channels.

    PubMed

    Michelin, Sébastien; Montenegro-Johnson, Thomas D; De Canio, Gabriele; Lobato-Dauzier, Nicolas; Lauga, Eric

    2015-08-01

    Many microfluidic devices use macroscopic pressure differentials to overcome viscous friction and generate flows in microchannels. In this work, we investigate how the chemical and geometric properties of the channel walls can drive a net flow by exploiting the autophoretic slip flows induced along active walls by local concentration gradients of a solute species. We show that chemical patterning of the wall is not required to generate and control a net flux within the channel, rather channel geometry alone is sufficient. Using numerical simulations, we determine how geometric characteristics of the wall influence channel flow rate, and confirm our results analytically in the asymptotic limit of lubrication theory. PMID:26000567

  19. Geometrical spin symmetry and spin

    SciTech Connect

    Pestov, I. B.

    2011-07-15

    Unification of General Theory of Relativity and Quantum Mechanics leads to General Quantum Mechanics which includes into itself spindynamics as a theory of spin phenomena. The key concepts of spindynamics are geometrical spin symmetry and the spin field (space of defining representation of spin symmetry). The essence of spin is the bipolar structure of geometrical spin symmetry induced by the gravitational potential. The bipolar structure provides a natural derivation of the equations of spindynamics. Spindynamics involves all phenomena connected with spin and provides new understanding of the strong interaction.

  20. Geometric validation plan for ASTER

    NASA Astrophysics Data System (ADS)

    Iwasaki, Akira; Matsumoto, Ken; Fujisada, Hiroyuki

    1998-12-01

    The ASTER system is a multispectral imager which covers a spectral range from visible to thermal infrared light by combining three subsystems composed of four telescopes. To ensure the high-quality data products concerning to the geolocation and band-to-band matching performance, the geometric registration is needed. This paper describes the geometric validation procedure for a multi-telescope imager with a cross-track pointing function. The strategy for the maintenance of database files and the preparation a GCP library is also shown.

  1. Geometric integration for particle accelerators

    NASA Astrophysics Data System (ADS)

    Forest, Étienne

    2006-05-01

    This paper is a very personal view of the field of geometric integration in accelerator physics—a field where often work of the highest quality is buried in lost technical notes or even not published; one has only to think of Simon van der Meer Nobel prize work on stochastic cooling—unpublished in any refereed journal. So I reconstructed the relevant history of geometrical integration in accelerator physics as much as I could by talking to collaborators and using my own understanding of the field. The reader should not be too surprised if this account is somewhere between history, science and perhaps even fiction.

  2. Geometrical Optics of Dense Aerosols

    SciTech Connect

    Hay, Michael J.; Valeo, Ernest J.; Fisch, Nathaniel J.

    2013-04-24

    Assembling a free-standing, sharp-edged slab of homogeneous material that is much denser than gas, but much more rare ed than a solid, is an outstanding technological challenge. The solution may lie in focusing a dense aerosol to assume this geometry. However, whereas the geometrical optics of dilute aerosols is a well-developed fi eld, the dense aerosol limit is mostly unexplored. Yet controlling the geometrical optics of dense aerosols is necessary in preparing such a material slab. Focusing dense aerosols is shown here to be possible, but the nite particle density reduces the eff ective Stokes number of the flow, a critical result for controlled focusing. __________________________________________________

  3. A geometric approach to complexity.

    PubMed

    Ay, Nihat; Olbrich, Eckehard; Bertschinger, Nils; Jost, Jürgen

    2011-09-01

    We develop a geometric approach to complexity based on the principle that complexity requires interactions at different scales of description. Complex systems are more than the sum of their parts of any size and not just more than the sum of their elements. Using information geometry, we therefore analyze the decomposition of a system in terms of an interaction hierarchy. In mathematical terms, we present a theory of complexity measures for finite random fields using the geometric framework of hierarchies of exponential families. Within our framework, previously proposed complexity measures find their natural place and gain a new interpretation. PMID:21974666

  4. Patterned eutectic bonding with Al/Ge thin films for MEMS

    NASA Astrophysics Data System (ADS)

    Zavracky, Paul M.; Vu, Bao

    1995-09-01

    In this paper, we report our results using eutectic bonding with the aluminum/germanium alloy to create high quality bonds. The results of a series of experiments conducted to optimize eutectic alloy bonding for MEMS are described. Issues discussed include surface preparation, eutectic composition, bonding apparatus and bonding conditions (temperature and time).

  5. Chemical Bonds II

    ERIC Educational Resources Information Center

    Sanderson, R. T.

    1972-01-01

    The continuation of a paper discussing chemical bonding from a bond energy viewpoint, with a number of examples of single and multiple bonds. (Part I appeared in volume 1 number 3, pages 16-23, February 1972.) (AL)

  6. What Determines Bond Costs. Municipal Bonds Series.

    ERIC Educational Resources Information Center

    Young, Douglas; And Others

    Public officials in small towns who participate infrequently in the bond market need information about bond financing. This publication, one in a series of booklets published by the Western Rural Development Center using research gathered between 1967-77, discusses factors influencing the marketability and cost of bond financing for towns and…

  7. Processing geometric representations on SIMD computers

    SciTech Connect

    Hung, Y.

    1988-01-01

    This thesis contributes to designing parallel algorithms to process border and linear quadtree representations on mesh-connected computers (MCCs) and hypercubes. This thesis consists of two parts. The first part studies some primitive operations on mesh-connected computers and hypercubes. These include various routing tasks and several versions of the parallel prefix algorithms. It is shown how general routings can be done in O(n) time on an n {times} n mesh and O(d{sup 2}) on a d-dimensional hypercube (d-cube). Also presented are optimal routing algorithms for some classes of permutation routings. For the parallel prefix problem, the author describes how the initial prefixes can be computed efficiently when the data are mapped into the MCC or the hypercube in some specific manners. The second part deals with processing border codes and linear quadtrees. These include generating border codes and linear quadtrees from a given image, reconstructing the image from its geometric representations, computing various geometric properties, answering the point-in-region query, performing set operations, etc. For linear quadtrees, algorithms are also designed for finding neighbors of equal or larger size for all nodes simultaneously. A connected component-labeling algorithm is also presented.

  8. Geometric Quantum Noise of Spin

    NASA Astrophysics Data System (ADS)

    Shnirman, Alexander; Gefen, Yuval; Saha, Arijit; Burmistrov, Igor S.; Kiselev, Mikhail N.; Altland, Alexander

    2015-05-01

    The presence of geometric phases is known to affect the dynamics of the systems involved. Here, we consider a quantum degree of freedom, moving in a dissipative environment, whose dynamics is described by a Langevin equation with quantum noise. We show that geometric phases enter the stochastic noise terms. Specifically, we consider small ferromagnetic particles (nanomagnets) or quantum dots close to Stoner instability, and investigate the dynamics of the total magnetization in the presence of tunneling coupling to the metallic leads. We generalize the Ambegaokar-Eckern-Schön effective action and the corresponding semiclassical equations of motion from the U(1) case of the charge degree of freedom to the SU(2) case of the magnetization. The Langevin forces (torques) in these equations are strongly influenced by the geometric phase. As a first but nontrivial application, we predict low temperature quantum diffusion of the magnetization on the Bloch sphere, which is governed by the geometric phase. We propose a protocol for experimental observation of this phenomenon.

  9. Vergence, Vision, and Geometric Optics

    ERIC Educational Resources Information Center

    Keating, Michael P.

    1975-01-01

    Provides a definition of vergence in terms of the curvature of the wave fronts, and gives examples to illustrate the advantages of this approach. The vergence treatment of geometrical optics provides both conceptual and algebraic advantages, particularly for the life science student, over the traditional object distance-image distance-focal length…

  10. Celestial mechanics with geometric algebra

    NASA Technical Reports Server (NTRS)

    Hestenes, D.

    1983-01-01

    Geometric algebra is introduced as a general tool for Celestial Mechanics. A general method for handling finite rotations and rotational kinematics is presented. The constants of Kepler motion are derived and manipulated in a new way. A new spinor formulation of perturbation theory is developed.

  11. Platonic Symmetry and Geometric Thinking

    ERIC Educational Resources Information Center

    Zsombor-Murray, Paul

    2007-01-01

    Cubic symmetry is used to build the other four Platonic solids and some formalism from classical geometry is introduced. Initially, the approach is via geometric construction, e.g., the "golden ratio" is necessary to construct an icosahedron with pentagonal faces. Then conventional elementary vector algebra is used to extract quantitative…

  12. A geometrical perspective for the bargaining problem.

    PubMed

    Wong, Kelvin Kian Loong

    2010-01-01

    A new treatment to determine the Pareto-optimal outcome for a non-zero-sum game is presented. An equilibrium point for any game is defined here as a set of strategy choices for the players, such that no change in the choice of any single player will increase the overall payoff of all the players. Determining equilibrium for multi-player games is a complex problem. An intuitive conceptual tool for reducing the complexity, via the idea of spatially representing strategy options in the bargaining problem is proposed. Based on this geometry, an equilibrium condition is established such that the product of their gains over what each receives is maximal. The geometrical analysis of a cooperative bargaining game provides an example for solving multi-player and non-zero-sum games efficiently. PMID:20436675

  13. Random broadcast on random geometric graphs

    SciTech Connect

    Bradonjic, Milan; Elsasser, Robert; Friedrich, Tobias

    2009-01-01

    In this work, we consider the random broadcast time on random geometric graphs (RGGs). The classic random broadcast model, also known as push algorithm, is defined as: starting with one informed node, in each succeeding round every informed node chooses one of its neighbors uniformly at random and informs it. We consider the random broadcast time on RGGs, when with high probability: (i) RGG is connected, (ii) when there exists the giant component in RGG. We show that the random broadcast time is bounded by {Omicron}({radical} n + diam(component)), where diam(component) is a diameter of the entire graph, or the giant component, for the regimes (i), or (ii), respectively. In other words, for both regimes, we derive the broadcast time to be {Theta}(diam(G)), which is asymptotically optimal.

  14. A geometric approach to quantum state separation

    NASA Astrophysics Data System (ADS)

    Bagan, E.; Yerokhin, V.; Shehu, A.; Feldman, E.; Bergou, J. A.

    2015-12-01

    Probabilistic quantum state transformations can be characterized by the degree of state separation they provide. This, in turn, sets limits on the success rate of these transformations. We consider optimum state separation of two known pure states in the general case where the known states have arbitrary a priori probabilities. The problem is formulated from a geometric perspective and shown to be equivalent to the problem of finding tangent curves within two families of conics that represent the unitarity constraints and the objective functions to be optimized, respectively. We present the corresponding analytical solutions in various forms. In the limit of perfect state separation, which is equivalent to unambiguous state discrimination, the solution exhibits a phenomenon analogous to a second order symmetry breaking phase transition. We also propose a linear optics implementation of separation which is based on the dual rail representation of qubits and single-photon multiport interferometry.

  15. Students' Perceptions of Parental Bonding Styles and Their Academic Burnout

    ERIC Educational Resources Information Center

    Shin, Hyojung; Lee, Jayoung; Kim, Boyoung; Lee, Sang Min

    2012-01-01

    This study investigated how parental bonding style affects academic burnout in Korean adolescents. Participants were 447 middle school students, who completed the Parental Bonding Instrument and the Maslach Burnout Inventory-Student Survey. MANCOVA results confirmed that adolescents reporting the optimal bonding parental style, for both mother and…

  16. Second sphere control of spin state: Differential tuning of axial ligand bonds in ferric porphyrin complexes by hydrogen bonding.

    PubMed

    Mittra, Kaustuv; Sengupta, Kushal; Singha, Asmita; Bandyopadhyay, Sabyasachi; Chatterjee, Sudipta; Rana, Atanu; Samanta, Subhra; Dey, Abhishek

    2016-02-01

    An iron porphyrin with a pre-organized hydrogen bonding (H-Bonding) distal architecture is utilized to avoid the inherent loss of entropy associated with H-Bonding from solvent (water) and mimic the behavior of metallo-enzyme active sites attributed to H-Bonding interactions of active site with the 2nd sphere residues. Resonance Raman (rR) data on these iron porphyrin complexes indicate that H-Bonding to an axial ligand like hydroxide can result in both stronger or weaker Fe(III)-OH bond relative to iron porphyrin complexes. The 6-coordinate (6C) complexes bearing water derived axial ligands, trans to imidazole or thiolate axial ligand with H-Bonding stabilize a low spin (LS) ground state (GS) when a complex without H-Bonding stabilizes a high spin (HS) ground state. DFT calculations reproduce the trend in the experimental data and provide a mechanism of how H-Bonding can indeed lead to stronger metal ligand bonds when the axial ligand donates an H-Bond and lead to weaker metal ligand bonds when the axial ligand accepts an H-Bond. The experimental and computational results explain how a weak Fe(III)-OH bond (due to H-Bonding) can lead to the stabilization of low spin ground state in synthetic mimics and in enzymes containing iron porphyrin active sites. H-Bonding to a water ligand bound to a reduced ferrous active site can only strengthen the Fe(II)-OH2 bond and thus exclusion of water and hydrophilic residues from distal sites of O2 binding/activating heme proteins is necessary to avoid inhibition of O2 binding by water. These results help demonstrate the predominant role played by H-Bonding and subtle changes in its orientation in determining the geometric and electronic structure of iron porphyrin based active sites in nature. PMID:26638009

  17. Geometric Phases, Noise and Non-adiabatic Effects in Multi-level Superconducting Systems

    NASA Astrophysics Data System (ADS)

    Berger, S.; Pechal, M.; Abdumalikov, A. A.; Steffen, L.; Fedorov, A.; Wallraff, A.; Filipp, S.

    2012-02-01

    Geometric phases depend neither on time nor on energy, but only on the trajectory of the quantum system in state space. In previous studies [1], we have observed them in a Cooper pair box qubit, a system with large anharmonicity. We now make use of a superconducting transmon-type qubit with low anharmonicity to study geometric phases in a multi-level system. We measure the contribution of the second excited state to the geometric phase and find very good agreement with theory treating higher levels perturbatively. Furthermore, we quantify non-adiabatic corrections by decreasing the manipulation time in order to optimize our geometric gate. Geometric phases have also been shown to be resilient against adiabatic field fluctuations [2]. Here, we analyze the effect of artificially added noise on the geometric phase for different system trajectories. [1] P. J. Leek et al., Science 318, 1889 (2007) [2] S. Filipp et al., Phys. Rev. Lett. 102, 030404 (2009)

  18. Geometrical Phases in Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Christian, Joy Julius

    In quantum mechanics, the path-dependent geometrical phase associated with a physical system, over and above the familiar dynamical phase, was initially discovered in the context of adiabatically changing environments. Subsequently, Aharonov and Anandan liberated this phase from the original formulation of Berry, which used Hamiltonians, dependent on curves in a classical parameter space, to represent the cyclic variations of the environments. Their purely quantum mechanical treatment, independent of Hamiltonians, instead used the non-trivial topological structure of the projective space of one-dimensional subspaces of an appropriate Hilbert space. The geometrical phase, in their treatment, results from a parallel transport of the time-dependent pure quantum states along a curve in this space, which is endowed with an abelian connection. Unlike Berry, they were able to achieve this without resort to an adiabatic approximation or to a time-independent eigenvalue equation. Prima facie, these two approaches are conceptually quite different. After a review of both approaches, an exposition bridging this apparent conceptual gap is given; by rigorously analyzing a model composite system, it is shown that, in an appropriate correspondence limit, the Berry phase can be recovered as a special case from the Aharonov-Anandan phase. Moreover, the model composite system is used to show that Berry's correction to the traditional Born-Oppenheimer energy spectra indeed brings the spectra closer to the exact results. Then, an experimental arrangement to measure geometrical phases associated with cyclic and non-cyclic variations of quantum states of an entangled composite system is proposed, utilizing the fundamental ideas of the recently opened field of two-particle interferometry. This arrangement not only resolves the controversy regarding the true nature of the phases associated with photon states, but also unequivocally predicts experimentally accessible geometrical phases in a

  19. Geometrical approach to tumor growth.

    PubMed

    Escudero, Carlos

    2006-08-01

    Tumor growth has a number of features in common with a physical process known as molecular beam epitaxy. Both growth processes are characterized by the constraint of growth development to the body border, and surface diffusion of cells and particles at the growing edge. However, tumor growth implies an approximate spherical symmetry that makes necessary a geometrical treatment of the growth equations. The basic model was introduced in a former paper [C. Escudero, Phys. Rev. E 73, 020902(R) (2006)], and in the present work we extend our analysis and try to shed light on the possible geometrical principles that drive tumor growth. We present two-dimensional models that reproduce the experimental observations, and analyze the unexplored three-dimensional case, for which interesting conclusions on tumor growth are derived. PMID:17025466

  20. The verdict geometric quality library.

    SciTech Connect

    Knupp, Patrick Michael; Ernst, C.D. (Elemental Technologies, Inc., American Fork, UT); Thompson, David C.; Stimpson, C.J.; Pebay, Philippe Pierre

    2006-03-01

    Verdict is a collection of subroutines for evaluating the geometric qualities of triangles, quadrilaterals, tetrahedra, and hexahedra using a variety of metrics. A metric is a real number assigned to one of these shapes depending on its particular vertex coordinates. These metrics are used to evaluate the input to finite element, finite volume, boundary element, and other types of solvers that approximate the solution to partial differential equations defined over regions of space. The geometric qualities of these regions is usually strongly tied to the accuracy these solvers are able to obtain in their approximations. The subroutines are written in C++ and have a simple C interface. Each metric may be evaluated individually or in combination. When multiple metrics are evaluated at once, they share common calculations to lower the cost of the evaluation.

  1. Geometrical modelling of textile reinforcements

    NASA Technical Reports Server (NTRS)

    Pastore, Christopher M.; Birger, Alexander B.; Clyburn, Eugene

    1995-01-01

    The mechanical properties of textile composites are dictated by the arrangement of yarns contained within the material. Thus, to develop a comprehensive understanding of the performance of these materials, it is necessary to develop a geometrical model of the fabric structure. This task is quite complex, as the fabric is made from highly flexible yarn systems which experience a certain degree of compressibility. Furthermore there are tremendous forces acting on the fabric during densification typically resulting in yarn displacement and misorientation. The objective of this work is to develop a methodology for characterizing the geometry of yarns within a fabric structure including experimental techniques for evaluating these models. Furthermore, some applications of these geometric results to mechanical property predictions models are demonstrated.

  2. Geometrical scaling for identified particles

    NASA Astrophysics Data System (ADS)

    Praszalowicz, Michal

    2013-12-01

    We show that recently measured transverse momentum spectra of identified particles exhibit geometrical scaling (GS) in scaling variable τ=(( where m=√{m2+pT2}-m. We explore consequences of GS and show that both mid rapidity multiplicity and mean transverse momenta grow as powers of scattering energy. Furthermore, assuming Tsallis-like parametrization of the spectra we calculate the coefficients of this growth. We also show that Tsallis temperature is related to the average saturation scale.

  3. Geometrical interpretation of optical absorption

    SciTech Connect

    Monzon, J. J.; Barriuso, A. G.; Sanchez-Soto, L. L.; Montesinos-Amilibia, J. M.

    2011-08-15

    We reinterpret the transfer matrix for an absorbing system in very simple geometrical terms. In appropriate variables, the system appears as performing a Lorentz transformation in a (1 + 3)-dimensional space. Using homogeneous coordinates, we map that action on the unit sphere, which is at the realm of the Klein model of hyperbolic geometry. The effects of absorption appear then as a loxodromic transformation, that is, a rhumb line crossing all the meridians at the same angle.

  4. Geometric Landau-Zener interferometry.

    PubMed

    Gasparinetti, S; Solinas, P; Pekola, J P

    2011-11-11

    We propose a new type of interferometry, based on geometric phases accumulated by a periodically driven two-level system undergoing multiple Landau-Zener transitions. As a specific example, we study its implementation in a superconducting charge pump. We find that interference patterns appear as a function of the pumping frequency and the phase bias, and clearly manifest themselves in the pumped charge. We also show that the effects described should persist in the presence of realistic decoherence. PMID:22181761

  5. Polar metals by geometric design

    NASA Astrophysics Data System (ADS)

    Kim, T. H.; Puggioni, D.; Yuan, Y.; Xie, L.; Zhou, H.; Campbell, N.; Ryan, P. J.; Choi, Y.; Kim, J.-W.; Patzner, J. R.; Ryu, S.; Podkaminer, J. P.; Irwin, J.; Ma, Y.; Fennie, C. J.; Rzchowski, M. S.; Pan, X. Q.; Gopalan, V.; Rondinelli, J. M.; Eom, C. B.

    2016-05-01

    Gauss’s law dictates that the net electric field inside a conductor in electrostatic equilibrium is zero by effective charge screening; free carriers within a metal eliminate internal dipoles that may arise owing to asymmetric charge distributions. Quantum physics supports this view, demonstrating that delocalized electrons make a static macroscopic polarization, an ill-defined quantity in metals—it is exceedingly unusual to find a polar metal that exhibits long-range ordered dipoles owing to cooperative atomic displacements aligned from dipolar interactions as in insulating phases. Here we describe the quantum mechanical design and experimental realization of room-temperature polar metals in thin-film ANiO3 perovskite nickelates using a strategy based on atomic-scale control of inversion-preserving (centric) displacements. We predict with ab initio calculations that cooperative polar A cation displacements are geometrically stabilized with a non-equilibrium amplitude and tilt pattern of the corner-connected NiO6 octahedra—the structural signatures of perovskites—owing to geometric constraints imposed by the underlying substrate. Heteroepitaxial thin-films grown on LaAlO3 (111) substrates fulfil the design principles. We achieve both a conducting polar monoclinic oxide that is inaccessible in compositionally identical films grown on (001) substrates, and observe a hidden, previously unreported, non-equilibrium structure in thin-film geometries. We expect that the geometric stabilization approach will provide novel avenues for realizing new multifunctional materials with unusual coexisting properties.

  6. Using Multiple Bonding Strategies.

    PubMed

    Larson, Thomas D

    2015-01-01

    There are many ways to bond to tooth structure, some micro-mechanical some chemical, some a combination. Different dentin bonding materials have different bonding strengths to differently prepared surfaces, and because of differences in their nature, different areas of tooth structure present peculiar bonding challenges. This paper will review a variety of material types, elucidating their particular bonding strengths and commenting on improved bonding strategies to increase durability, strength, and favorable pulpal response. In this discussion, resin dentin bonding systems, glass ionomers, Gluma, resin cements, and newer combined products will br reviewed. PMID:26485903

  7. Geometric and Electronic Properties of Edge-decorated Graphene Nanoribbons

    PubMed Central

    Chang, Shen-Lin; Lin, Shih-Yang; Lin, Shih-Kang; Lee, Chi-Hsuan; Lin, Ming-Fa

    2014-01-01

    Edge-decorated graphene nanoribbons are investigated with the density functional theory; they reveal three stable geometric structures. The first type is a tubular structure formed by the covalent bonds of decorating boron or nitrogen atoms. The second one consists of curved nanoribbons created by the dipole-dipole interactions between two edges when decorated with Be, Mg, or Al atoms. The final structure is a flat nanoribbon produced due to the repulsive force between two edges; most decorated structures belong to this type. Various decorating atoms, different curvature angles, and the zigzag edge structure are reflected in the electronic properties, magnetic properties, and bonding configurations. Most of the resulting structures are conductors with relatively high free carrier densities, whereas a few are semiconductors due to the zigzag-edge-induced anti-ferromagnetism. PMID:25123103

  8. Geometric methods for the design of mechanisms

    NASA Astrophysics Data System (ADS)

    Stokes, Ann Westagard

    1993-01-01

    Challenges posed by the process of designing robotic mechanisms have provided a new impetus to research in the classical subjects of kinematics, elastic analysis, and multibody dynamics. Historically, mechanism designers have considered these areas of analysis to be generally separate and distinct sciences. However, there are significant classes of problems which require a combination of these methods to arrive at a satisfactory solution. For example, both the compliance and the inertia distribution strongly influence the performance of a robotic manipulator. In this thesis, geometric methods are applied to the analysis of mechanisms where kinematics, elasticity, and dynamics play fundamental and interactive roles. Tools for the mathematical analysis, design, and optimization of a class of holonomic and nonholonomic mechanisms are developed. Specific contributions of this thesis include a network theory for elasto-kinematic systems. The applicability of the network theory is demonstrated by employing it to calculate the optimal distribution of joint compliance in a serial manipulator. In addition, the advantage of applying Lie group theoretic approaches to mechanisms requiring specific dynamic properties is demonstrated by extending Brockett's product of exponentials formula to the domain of dynamics. Conditions for the design of manipulators having inertia matrices which are constant in joint angle coordinates are developed. Finally, analysis and design techniques are developed for a class of mechanisms which rectify oscillations into secular motions. These techniques are applied to the analysis of free-floating chains that can reorient themselves in zero angular momentum processes and to the analysis of rattleback tops.

  9. Development of a Geometric Spatial Visualization Tool

    ERIC Educational Resources Information Center

    Ganesh, Bibi; Wilhelm, Jennifer; Sherrod, Sonya

    2009-01-01

    This paper documents the development of the Geometric Spatial Assessment. We detail the development of this instrument which was designed to identify middle school students' strategies and advancement in understanding of four geometric concept domains (geometric spatial visualization, spatial projection, cardinal directions, and periodic patterns)…

  10. Geometrical Visualisation--Epistemic and Emotional

    ERIC Educational Resources Information Center

    Rodd, Melissa

    2010-01-01

    A well-documented experience of students of elementary Euclidean geometry is "seeing" a geometric result and being sure about its truth; this sort of experience gives rise to the notion of geometrical visualisation that is developed here. In this essay a philosophical argument for the epistemic potential of geometrical visualisation is reviewed,…

  11. Geometric nomenclature and classification of RNA base pairs.

    PubMed Central

    Leontis, N B; Westhof, E

    2001-01-01

    Non-Watson-Crick base pairs mediate specific interactions responsible for RNA-RNA self-assembly and RNA-protein recognition. An unambiguous and descriptive nomenclature with well-defined and nonoverlapping parameters is needed to communicate concisely structural information about RNA base pairs. The definitions should reflect underlying molecular structures and interactions and, thus, facilitate automated annotation, classification, and comparison of new RNA structures. We propose a classification based on the observation that the planar edge-to-edge, hydrogen-bonding interactions between RNA bases involve one of three distinct edges: the Watson-Crick edge, the Hoogsteen edge, and the Sugar edge (which includes the 2'-OH and which has also been referred to as the Shallow-groove edge). Bases can interact in either of two orientations with respect to the glycosidic bonds, cis or trans relative to the hydrogen bonds. This gives rise to 12 basic geometric types with at least two H bonds connecting the bases. For each geometric type, the relative orientations of the strands can be easily deduced. High-resolution examples of 11 of the 12 geometries are presently available. Bifurcated pairs, in which a single exocyclic carbonyl or amino group of one base directly contacts the edge of a second base, and water-inserted pairs, in which single functional groups on each base interact directly, are intermediate between two of the standard geometries. The nomenclature facilitates the recognition of isosteric relationships among base pairs within each geometry, and thus facilitates the recognition of recurrent three-dimensional motifs from comparison of homologous sequences. Graphical conventions are proposed for displaying non-Watson-Crick interactions on a secondary structure diagram. The utility of the classification in homology modeling of RNA tertiary motifs is illustrated. PMID:11345429

  12. Oxidative addition of the C-I bond on aluminum nanoclusters

    NASA Astrophysics Data System (ADS)

    Sengupta, Turbasu; Das, Susanta; Pal, Sourav

    2015-07-01

    sensitive to the geometrical shapes and electronic structures of the clusters rather than their size, imposing the fact that comprehensive studies on aluminum clusters can be beneficial for nanoscience and nanotechnology. To understand the possible reaction mechanism in detail, the reaction pathway is investigated with the ab initio Born Oppenheimer Molecular Dynamics (BOMD) simulation and the Natural Bond Orbital (NBO) analysis. In short, our theoretical study highlights the thermodynamic and kinetic details of C-I bond dissociation on aluminum clusters for future endeavors in cluster chemistry. Electronic supplementary information (ESI) available: Cartesian coordinates for the optimized structures and harmonic frequencies, sample IRC data and plot, grid data for three dimensional potential energy surface and contour plot and data for BOMD simulation. See DOI: 10.1039/c5nr02278a

  13. 29 CFR 2580.412-20 - Use of existing bonds, separate bonds and additional bonding.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 9 2010-07-01 2010-07-01 false Use of existing bonds, separate bonds and additional..., separate bonds and additional bonding. (a) Additional bonding. Section 13 neither prevents additional... or separate bond. (b) Use of existing bonds. Insofar as a bond currently in use is adequate to...

  14. Hydroxide-catalyzed bonding

    NASA Technical Reports Server (NTRS)

    Gwo, Dz-Hung (Inventor)

    2003-01-01

    A method of bonding substrates by hydroxide-catalyzed hydration/dehydration involves applying a bonding material to at least one surface to be bonded, and placing the at least one surface sufficiently close to another surface such that a bonding interface is formed between them. A bonding material of the invention comprises a source of hydroxide ions, and may optionally include a silicate component, a particulate filling material, and a property-modifying component. Bonding methods of the invention reliably and reproducibly provide bonds which are strong and precise, and which may be tailored according to a wide range of possible applications. Possible applications for bonding materials of the invention include: forming composite materials, coating substrates, forming laminate structures, assembly of precision optical components, and preparing objects of defined geometry and composition. Bonding materials and methods of preparing the same are also disclosed.

  15. Chemically-bonded brick production based on burned clay by means of semidry pressing

    NASA Astrophysics Data System (ADS)

    Voroshilov, Ivan; Endzhievskaya, Irina; Vasilovskaya, Nina

    2016-01-01

    We presented a study on the possibility of using the burnt rocks of the Krasnoyarsk Territory for production of chemically-bonded materials in the form of bricks which are so widely used in multistory housing and private house construction. The radiographic analysis of the composition of burnt rock was conducted and a modifier to adjust the composition uniformity was identified. The mixing moisture content was identified and optimal amount at 13-15% was determined. The method of semidry pressing has been chosen. The process of obtaining moldings has been theoretically proved; the advantages of chemically-bonded wall materials compared to ceramic brick were shown. The production of efficient artificial stone based on material burnt rocks, which is comparable with conventionally effective ceramic materials or effective with cell tile was proved, the density of the burned clay-based cell tile makes up to 1630-1785 kg m3, with compressive strength of 13.6-20.0 MPa depending on the compression ratio and cement consumption, frost resistance index is F50, and the thermal conductivity in the masonry is λ = 0,459-0,546 W m * °C. The clear geometric dimensions of pressed products allow the use of the chemically-bonded brick based on burnt clay as a facing brick.

  16. SQCD Vacua and Geometrical Engineering

    SciTech Connect

    Tatar, Radu; Wetenhall, Ben

    2008-11-23

    We consider the geometrical engineering constructions for the N = 1 SQCD vacua. After one T-duality, these geometries with wrapped D5 branes become N = 1 brane configurations with NS-branes and D4-branes. After performing a flop, the geometries contain branes, antibranes and branes wrapped on non-holomorphic cycles. The various tachyon condensations between pairs of wrapped D5 branes and anti-D5 branes together with deformations of the cycles give rise to a variety of supersymmetric and metastable non-supersymmetric vacua.

  17. Geometric reasoning and spatial understanding

    SciTech Connect

    Binford, T.O.

    1982-01-01

    Progress has been made on extensions to ACRONYM which include: representation and reasoning with time, events, and sequences; collaboration with MIT to develop geometric learning: representation of function, and reasoning between structure and function. A new ribbon finder for ACRONYM is under construction. Work in figure/ground separation is underway as a basis for the ribbon finder. Preliminary results are shown in grouping operations to determine regularities in images. A stereo system has been completed which combines edge-based stereo matching with surface interpolation utilizing correspondence of gray levels. Design of a new stereo vision system is underway.

  18. Fatigue Life Methodology for Bonded Composite Skin/Stringer Configurations

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; Paris, Isabelle L.; OBrien, T. Kevin

    2000-01-01

    A methodology is presented for determining the fatigue life of bonded composite skin/stringer structures based on delamination fatigue characterization data and geometric nonlinear finite element analyses. Results were compared to fatigue tests on stringer flange/skin specimens to verify the approach.

  19. NPP VIIRS Geometric Performance Status

    NASA Technical Reports Server (NTRS)

    Lin, Guoqing; Wolfe, Robert E.; Nishihama, Masahiro

    2011-01-01

    Visible Infrared Imager Radiometer Suite (VIIRS) instrument on-board the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP) satellite is scheduled for launch in October, 2011. It is to provide satellite measured radiance/reflectance data for both weather and climate applications. Along with radiometric calibration, geometric characterization and calibration of Sensor Data Records (SDRs) are crucial to the VIIRS Environmental Data Record (EDR) algorithms and products which are used in numerical weather prediction (NWP). The instrument geometric performance includes: 1) sensor (detector) spatial response, parameterized by the dynamic field of view (DFOV) in the scan direction and instantaneous FOV (IFOV) in the track direction, modulation transfer function (MTF) for the 17 moderate resolution bands (M-bands), and horizontal spatial resolution (HSR) for the five imagery bands (I-bands); 2) matrices of band-to-band co-registration (BBR) from the corresponding detectors in all band pairs; and 3) pointing knowledge and stability characteristics that includes scan plane tilt, scan rate and scan start position variations, and thermally induced variations in pointing with respect to orbital position. They have been calibrated and characterized through ground testing under ambient and thermal vacuum conditions, numerical modeling and analysis. This paper summarizes the results, which are in general compliance with specifications, along with anomaly investigations, and describes paths forward for characterizing on-orbit BBR and spatial response, and for improving instrument on-orbit performance in pointing and geolocation.

  20. NPP VIIRS geometric performance status

    NASA Astrophysics Data System (ADS)

    Lin, Guoqing; Wolfe, Robert E.; Nishihama, Masahiro

    2011-10-01

    Visible Infrared Imager Radiometer Suite (VIIRS) instrument on-board the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP) satellite is scheduled for launch in October, 2011. It is to provide satellite measured radiance/reflectance data for both weather and climate applications. Along with radiometric calibration, geometric characterization and calibration of Sensor Data Records (SDRs) are crucial to the VIIRS Environmental Data Record (EDR) algorithms and products which are used in numerical weather prediction (NWP). The instrument geometric performance includes: 1) sensor (detector) spatial response, parameterized by the dynamic field of view (DFOV) in the scan direction and instantaneous FOV (IFOV) in the track direction, modulation transfer function (MTF) for the 17 moderate resolution bands (M-bands), and horizontal spatial resolution (HSR) for the five imagery bands (I-bands); 2) matrices of band-to-band co-registration (BBR) from the corresponding detectors in all band pairs; and 3) pointing knowledge and stability characteristics that includes scan plane tilt, scan rate and scan start position variations, and thermally induced variations in pointing with respect to orbital position. They have been calibrated and characterized through ground testing under ambient and thermal vacuum conditions, numerical modeling and analysis. This paper summarizes the results, which are in general compliance with specifications, along with anomaly investigations, and describes paths forward for characterizing on-orbit BBR and spatial response, and for improving instrument on-orbit performance in pointing and geolocation.

  1. Measurement error in geometric morphometrics.

    PubMed

    Fruciano, Carmelo

    2016-06-01

    Geometric morphometrics-a set of methods for the statistical analysis of shape once saluted as a revolutionary advancement in the analysis of morphology -is now mature and routinely used in ecology and evolution. However, a factor often disregarded in empirical studies is the presence and the extent of measurement error. This is potentially a very serious issue because random measurement error can inflate the amount of variance and, since many statistical analyses are based on the amount of "explained" relative to "residual" variance, can result in loss of statistical power. On the other hand, systematic bias can affect statistical analyses by biasing the results (i.e. variation due to bias is incorporated in the analysis and treated as biologically-meaningful variation). Here, I briefly review common sources of error in geometric morphometrics. I then review the most commonly used methods to measure and account for both random and non-random measurement error, providing a worked example using a real dataset. PMID:27038025

  2. Geometrical deployment for braided stent.

    PubMed

    Bouillot, Pierre; Brina, Olivier; Ouared, Rafik; Yilmaz, Hasan; Farhat, Mohamed; Erceg, Gorislav; Lovblad, Karl-Olof; Vargas, Maria Isabel; Kulcsar, Zsolt; Pereira, Vitor Mendes

    2016-05-01

    The prediction of flow diverter stent (FDS) implantation for the treatment of intracranial aneurysms (IAs) is being increasingly required for hemodynamic simulations and procedural planning. In this paper, a deployment model was developed based on geometrical properties of braided stents. The proposed mathematical description is first applied on idealized toroidal vessels demonstrating the stent shortening in curved vessels. It is subsequently generalized to patient specific vasculature predicting the position of the filaments along with the length and local porosity of the stent. In parallel, in-vitro and in-vivo FDS deployments were measured by contrast-enhanced cone beam CT (CBCT) in idealized and patient-specific geometries. These measurements showed a very good qualitative and quantitative agreement with the virtual deployments and provided experimental validations of the underlying geometrical assumptions. In particular, they highlighted the importance of the stent radius assessment in the accuracy of the deployment prediction. Thanks to its low computational cost, the proposed model is potentially implementable in clinical practice providing critical information for patient safety and treatment outcome assessment. PMID:26891065

  3. Geometric pumping in autophoretic channels

    NASA Astrophysics Data System (ADS)

    Michelin, Sebastien; Montenegro Johnson, Thomas; de Canio, Gabriele; Lobatto-Dauzier, Nicolas; Lauga, Eric

    2015-11-01

    Pumping at the microscale has important applications from biological fluid handling to lab-on-a-chip systems. It can be achieved either from a global (e.g. imposed pressure gradient) or local forcing (e.g. ciliary pumping). Phoretic slip flows generated from concentration or temperature gradients are examples of such local flow forcing. Autophoresis is currently receiving much attention for the design of self-propelled particles achieving force- and torque-free locomotion by combining two essential surface properties: (i) an activity that modifies the solute content of the particle's environment (e.g. catalytic reaction or solute release), and (ii) a mobility that generates a slip flow from the resulting local concentration gradients. Recent work showed that geometric asymmetry is sufficient for a chemically-homogeneous particle to self-propel. Here we extend this idea to micro-pumping in active channels whose walls possess both chemical activity and phoretic mobility. Using a combination of theoretical analysis and numerical simulations, we show that geometrically-asymmetric but chemically-homogeneous channels can generate pumping and analyze the resulting flow patterns.

  4. Geometrically constrained parasitic-aware synthesis of analog ICs

    NASA Astrophysics Data System (ADS)

    Castro-Lopez, Rafael; Fernandez, Francisco V.; Rodriguez Vazquez, Angel

    2005-06-01

    In order to speed up the design process of analog ICs, iterations between different design stages should be avoided as much as possible. More specifically, spins between electrical and physical synthesis should be reduced for this is a very time-consuming task: if circuit performance including layout-induced degradations proves unacceptable, a re-design cycle must be entered, and electrical, physical, or both synthesis processes, would have to be repeated. It is also worth noting that if geometric optimization (e.g., area minimization) is undertaken after electrical synthesis, it may add up as another source of unexpected degradation of the circuit performance due to the impact of the geometric variables (e.g., transistor folds) on the device and the routing parasitic values. This awkward scenario is caused by the complete separation of said electrical and physical synthesis, a design practice commonly followed so far. Parasitic-aware synthesis, consisting in including parasitic estimates to the circuit netlist directly during electrical synthesis, has been proposed as solution. While most of the reported contributions either tackle parasitic-aware synthesis without paying special attention to geometric optimization or approach both issues only partially, this paper addresses the problem in a unified way. In what has been called layout-aware electrical synthesis, a simulation-based optimization algorithm explores the design space with geometric variables constrained to meet certain user-defined goals, which provides reliable estimates of layout-induced parasitics at each iteration, and, thereby, accurate evaluation of the circuit ultimate performance. This technique, demonstrated here through several design examples, requires knowing layout details beforehand; to facilitate this, procedural layout generation is used as physical synthesis approach due to its rapidness and ability to capture analog layout know-how.

  5. Diffusion bonding aeroengine components

    NASA Astrophysics Data System (ADS)

    Fitzpatrick, G. A.; Broughton, T.

    1988-10-01

    The use of diffusion bonding processes at Rolls-Royce for the manufacture of titanium-alloy aircraft engine components and structures is described. A liquid-phase diffusion bonding process called activated diffusion bonding has been developed for the manufacture of the hollow titanium wide chord fan blade. In addition, solid-state diffusion bonding is being used in the manufacture of hollow vane/blade airfoil constructions mainly in conjunction with superplastic forming and hot forming techniques.

  6. Red-shifted hydrogen bonds and blue-shifted van der Waals contact in the standard Watson-Crick adenine-thymine base pair.

    PubMed

    Zhou, Pan-Pan; Qiu, Wen-Yuan

    2009-09-24

    Standard Watson-Crick adenine-thymine (AT) base pair has been investigated by using the B3LYP functional with 6-31G(d, p) basis set, at which level of theory the geometrical characteristics of the AT base pair are the best in agreement with the experiment. It exhibits simultaneously red-shifted N-H...O and N-H...N hydrogen bonds as well as a blue-shifted C-H...O contact. AIM analysis suggests that the blue-shifted C-H...O contact exists as van der Waals interaction, and the electron density rho that reflects the strength of a bond has been used to explain the red- and blue-shifted. By means of NBO analysis, we report a method to estimate the effect of hyperconjugation quantitatively, which combines the electron density in the X-H (X = N, C) sigma bonding orbital with that in the sigma* antibonding orbital. The effect of structural reorganization on the origins of the red- and blue-shifted has been considered by the partial optimization, its behavior on the X-H (X = N, C) bond is quite different. Rehybridization and repolarization models are employed, and they act as bond-shortening effects. The competition between the electrostatic attractions and Pauli/nucleus repulsions is present in the two typical red-shifted N-H...O and N-H...N hydrogen bonds as well as in the blue-shifted C-H...O van der Waals contact. Electrostatic attraction between H and Y atoms (Y = O, N) is an important reason for the red shift, while the nucleus-nucleus repulsion between H and O atoms may be a factor leading to the C-H bond contraction and its blue shift. The electric field effect induced by the acceptor O atom on the C-H bond is also discussed. PMID:19715282

  7. Rapid adhesive bonding concepts

    NASA Technical Reports Server (NTRS)

    Stein, B. A.; Tyeryar, J. R.; Hodges, W. T.

    1984-01-01

    Adhesive bonding in the aerospace industry typically utilizes autoclaves or presses which have considerable thermal mass. As a consequence, the rates of heatup and cooldown of the bonded parts are limited and the total time and cost of the bonding process is often relatively high. Many of the adhesives themselves do not inherently require long processing times. Bonding could be performed rapidly if the heat was concentrated in the bond lines or at least in the adherends. Rapid adhesive bonding concepts were developed to utilize induction heating techniques to provide heat directly to the bond line and/or adherends without heating the entire structure, supports, and fixtures of a bonding assembly. Bonding times for specimens are cut by a factor of 10 to 100 compared to standard press bonding. The development of rapid adhesive bonding for lap shear specimens (per ASTM D1003 and D3163), for aerospace panel bonding, and for field repair needs of metallic and advanced fiber reinforced polymeric matrix composite structures are reviewed.

  8. Point-process principal components analysis via geometric optimization.

    PubMed

    Solo, Victor; Pasha, Syed Ahmed

    2013-01-01

    There has been a fast-growing demand for analysis tools for multivariate point-process data driven by work in neural coding and, more recently, high-frequency finance. Here we develop a true or exact (as opposed to one based on time binning) principal components analysis for preliminary processing of multivariate point processes. We provide a maximum likelihood estimator, an algorithm for maximization involving steepest ascent on two Stiefel manifolds, and novel constrained asymptotic analysis. The method is illustrated with a simulation and compared with a binning approach. PMID:23020106

  9. Optimal Biofilm Featues: metabolic and geometric response to multiple oxidants

    NASA Astrophysics Data System (ADS)

    Kempes, C.; Okegbe, C.; Mears-Clarke, Z.; Follows, M. J.; Dietrich, L.

    2014-12-01

    An important challenge in understanding complex microbial mat communities is determining how groups of a single species balance metabolic requirements with the dynamics of resource supply. We have investigated this problem in the context of redox resources within a single-species bacterial biofilm. We developed a mathematical model of oxidant availability and metabolic response within biofilm features and we show that observed biofilm geometries maximize cellular reproduction and growth efficiency. Our model accurately predicts the measured distribution of two types of electron acceptors: oxygen, which is available from the environment, and phenazines, redox-active small molecules produced by the bacterium. Because our model is based on resource dynamics, we are also able to predict observed shifts in feature geometry based on changes in the availability of redox resources such as variations in the external availability of oxygen or the removal of phenazines. This analysis suggests various avenues for understanding microstructure and the evolution of spatial metabolism in microbial mats.

  10. Accurate Structure and Dynamics of the Metal-Site of Paramagnetic Metalloproteins from NMR Parameters Using Natural Bond Orbitals

    PubMed Central

    2012-01-01

    A natural bond orbital (NBO) analysis of unpaired electron spin density in metalloproteins is presented, which allows a fast and robust calculation of paramagnetic NMR parameters. Approximately 90% of the unpaired electron spin density occupies metal–ligand NBOs, allowing the majority of the density to be modeled by only a few NBOs that reflect the chemical bonding environment. We show that the paramagnetic relaxation rate of protons can be calculated accurately using only the metal–ligand NBOs and that these rates are in good agreement with corresponding rates measured experimentally. This holds, in particular, for protons of ligand residues where the point-dipole approximation breaks down. To describe the paramagnetic relaxation of heavy nuclei, also the electron spin density in the local orbitals must be taken into account. Geometric distance restraints for 15N can be derived from the paramagnetic relaxation enhancement and the Fermi contact shift when local NBOs are included in the analysis. Thus, the NBO approach allows us to include experimental paramagnetic NMR parameters of 15N nuclei as restraints in a structure optimization protocol. We performed a molecular dynamics simulation and structure determination of oxidized rubredoxin using the experimentally obtained paramagnetic NMR parameters of 15N. The corresponding structures obtained are in good agreement with the crystal structure of rubredoxin. Thus, the NBO approach allows an accurate description of the geometric structure and the dynamics of metalloproteins, when NMR parameters are available of nuclei in the immediate vicinity of the metal-site. PMID:22329704

  11. Geometric analysis of transient bursts

    NASA Astrophysics Data System (ADS)

    Osinga, Hinke M.; Tsaneva-Atanasova, Krasimira T.

    2013-12-01

    We consider the effect of a brief stimulation from the rest state of a minimal neuronal model with multiple time scales. Such transient dynamics brings out the intrinsic bursting capabilities of the system. Our main goal is to show that a minimum of three dimensions is enough to generate spike-adding phenomena in transient responses, and that the onset of a new spike can be tracked using existing continuation packages. We take a geometric approach to illustrate how the underlying fast subsystem organises the spike adding in much the same way as for spike adding in periodic bursts, but the bifurcation analysis for spike onset is entirely different. By using a generic model, we further strengthen claims made in our earlier work that our numerical method for spike onset can be used for a broad class of systems.

  12. Geometric Mean Neutrino Mass Relation

    NASA Astrophysics Data System (ADS)

    He, Xiao-Gang; Zee, A.

    Present experimental data from neutrino oscillations have provided much information about the neutrino mixing angles. Since neutrino oscillations only determine the mass squared differences Δ m2ij = m2i - m2j, the absolute values for neutrino masses mi, can not be determined using data just from oscillations. In this work we study implications on neutrino masses from a geometric mean mass relation m2 = √ {m1m_3} which enables one to determined the absolute masses of the neutrinos. We find that the central values of the three neutrino masses and their 2σ errors to be m1 = (1.58 ± 0.18)meV, m2 = (9.04 ± 0.42)meV, and m3 = (51.8 ± 3.5)meV. Implications for cosmological observation, beta decay and neutrinoless double beta decays are discussed.

  13. Geometric asymmetry driven Janus micromotors.

    PubMed

    Zhao, Guanjia; Pumera, Martin

    2014-10-01

    The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a "coconut" micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors. PMID:25122607

  14. An AB initio study of intramolecular hydrogen-bonding interactions in four-, five- and six-membered ring systems

    NASA Astrophysics Data System (ADS)

    George, Philip; Bock, Charles W.; Trachtman, Mendel

    Using the 4-31G basis set augmented with polarization functions on the S-atom all geometrical parameters have been optimized for the planar chain and ring conformers (related by 180° rotation of the OH, SH or NH group) of acrylic acid, the three monothioperformic acids,α-hydroxyacrolein, formyl and thioformylhydroxylamine, glyoxalmonoimine, formimidol and glyoxalmonooxime. The changes in bond lengths and bond angles which accompany the conversion of the chain into the ring conformer are classified under ten headings for a total of eight four-membered, nine five-membered and three six-membered ring systems. Systematic trends are found, indicative of electron transfer, which support the hypothesis that there is a hydrogen-bonding type of interaction in the four-as well as in the five- and six-membered rings. The change in total molecular energy for the conversion reaction is divided up into distortion and bonding energy components, and each partitioned in terms of the expectation energy differencnes ΔEK, ΔVee, ΔVnn and ΔVen. The nature of the distortion and bonding steps, whether attractive-dominant or repulsive-dominant, is correlated with ring size and the presence (or absence) of heavy atoms external to the ring. The internuclear disease OH, O…O and H … O in the OH … O(=C) hydrogen bridge are compared with experimental values for intermolecular hydrogen bonds, and the present findings are discussed in relation to studies in the literature on electron density distributions and chages in Mulliken gross electronic populations.

  15. Bonding thermoplastic polymers

    DOEpatents

    Wallow, Thomas I.; Hunter, Marion C.; Krafcik, Karen Lee; Morales, Alfredo M.; Simmons, Blake A.; Domeier, Linda A.

    2008-06-24

    We demonstrate a new method for joining patterned thermoplastic parts into layered structures. The method takes advantage of case-II permeant diffusion to generate dimensionally controlled, activated bonding layers at the surfaces being joined. It is capable of producing bonds characterized by cohesive failure while preserving the fidelity of patterned features in the bonding surfaces. This approach is uniquely suited to production of microfluidic multilayer structures, as it allows the bond-forming interface between plastic parts to be precisely manipulated at micrometer length scales. The bond enhancing procedure is easily integrated in standard process flows and requires no specialized equipment.

  16. Prospective bonding applications

    NASA Astrophysics Data System (ADS)

    Ancenay, H.; Benazet, D.

    1981-07-01

    Adhesive bonding in industry and in the laboratory is surveyed and prospects for its wider utilization are assessed. The economic impact of bonding technology on industry is discussed. Research is reviewed, centering on the development of nondestructive testing and inspection techniques. Traditional (wood) as well as new materials susceptible to bonding are considered. Applications in construction and civil engineering, in aeronautics, and in the automobile industry are covered. The use of glues in mechanical constructions, in assembling cylindrical parts, and in metal-metal bonding are examined. Hybrid assembling and bonding of composite materials are included.

  17. Simple Bond Cleavage

    SciTech Connect

    Gary S. Groenewold

    2005-08-01

    Simple bond cleavage is a class of fragmentation reactions in which a single bond is broken, without formation of new bonds between previously unconnected atoms. Because no bond making is involved, simple bond cleavages are endothermic, and activation energies are generally higher than for rearrangement eliminations. The rate of simple bond cleavage reactions is a strong function of the internal energy of the molecular ion, which reflects a loose transition state that resembles reaction products, and has a high density of accessible states. For this reason, simple bond cleavages tend to dominate fragmentation reactions for highly energized molecular ions. Simple bond cleavages have negligible reverse activation energy, and hence they are used as valuable probes of ion thermochemistry, since the energy dependence of the reactions can be related to the bond energy. In organic mass spectrometry, simple bond cleavages of odd electron ions can be either homolytic or heterolytic, depending on whether the fragmentation is driven by the radical site or the charge site. Simple bond cleavages of even electron ions tend to be heterolytic, producing even electron product ions and neutrals.

  18. Geometric solitons of Hamiltonian flows on manifolds

    SciTech Connect

    Song, Chong; Sun, Xiaowei; Wang, Youde

    2013-12-15

    It is well-known that the LIE (Locally Induction Equation) admit soliton-type solutions and same soliton solutions arise from different and apparently irrelevant physical models. By comparing the solitons of LIE and Killing magnetic geodesics, we observe that these solitons are essentially decided by two families of isometries of the domain and the target space, respectively. With this insight, we propose the new concept of geometric solitons of Hamiltonian flows on manifolds, such as geometric Schrödinger flows and KdV flows for maps. Moreover, we give several examples of geometric solitons of the Schrödinger flow and geometric KdV flow, including magnetic curves as geometric Schrödinger solitons and explicit geometric KdV solitons on surfaces of revolution.

  19. Geometric solitons of Hamiltonian flows on manifolds

    NASA Astrophysics Data System (ADS)

    Song, Chong; Sun, Xiaowei; Wang, Youde

    2013-12-01

    It is well-known that the LIE (Locally Induction Equation) admit soliton-type solutions and same soliton solutions arise from different and apparently irrelevant physical models. By comparing the solitons of LIE and Killing magnetic geodesics, we observe that these solitons are essentially decided by two families of isometries of the domain and the target space, respectively. With this insight, we propose the new concept of geometric solitons of Hamiltonian flows on manifolds, such as geometric Schrödinger flows and KdV flows for maps. Moreover, we give several examples of geometric solitons of the Schrödinger flow and geometric KdV flow, including magnetic curves as geometric Schrödinger solitons and explicit geometric KdV solitons on surfaces of revolution.

  20. Geometric view of adaptive optics control.

    PubMed

    Wiberg, Donald M; Max, Claire E; Gavel, Donald T

    2005-05-01

    The objective of an astronomical adaptive optics control system is to minimize the residual wave-front error remaining on the science-object wave fronts after being compensated for atmospheric turbulence and telescope aberrations. Minimizing the mean square wave-front residual maximizes the Strehl ratio and the encircled energy in pointlike images and maximizes the contrast and resolution of extended images. We prove the separation principle of optimal control for application to adaptive optics so as to minimize the mean square wave-front residual. This shows that the residual wave-front error attributable to the control system can be decomposed into three independent terms that can be treated separately in design. The first term depends on the geometry of the wave-front sensor(s), the second term depends on the geometry of the deformable mirror(s), and the third term is a stochastic term that depends on the signal-to-noise ratio. The geometric view comes from understanding that the underlying quantity of interest, the wave-front phase surface, is really an infinite-dimensional vector within a Hilbert space and that this vector space is projected into subspaces we can control and measure by the deformable mirrors and wave-front sensors, respectively. When the control and estimation algorithms are optimal, the residual wave front is in a subspace that is the union of subspaces orthogonal to both of these projections. The method is general in that it applies both to conventional (on-axis, ground-layer conjugate) adaptive optics architectures and to more complicated multi-guide-star- and multiconjugate-layer architectures envisaged for future giant telescopes. We illustrate the approach by using a simple example that has been worked out previously [J. Opt. Soc. Am. A 73, 1171 (1983)] for a single-conjugate, static atmosphere case and follow up with a discussion of how it is extendable to general adaptive optics architectures. PMID:15898546

  1. Reliability of the pair-defect-sum approximation for the strength of valence-bond orbitals

    PubMed Central

    Pauling, Linus; Herman, Zelek S.; Kamb, Barclay J.

    1982-01-01

    The pair-defect-sum approximation to the bond strength of a hybrid orbital (angular wave functions only) is compared to the rigorous value as a function of bond angle for seven types of bonding situations, with between three and eight bond directions equivalent by geometrical symmetry operations and with only one independent bond angle. The approximation is seen to be an excellent one in all cases, and the results provide a rationale for the application of this approximation to a variety of problems. PMID:16593167

  2. Bond dissociation energies from the topology of the charge density using gradient bundle analysis

    NASA Astrophysics Data System (ADS)

    Morgenstern, Amanda; Eberhart, Mark

    2016-02-01

    New and more robust models of chemical bonding are necessary to further our understanding of chemical phenomena. Among these are bond bundle and gradient bundle methods, which analyze bonding interactions in terms of property distributions over geometrically defined volumes. These methods have been shown to provide a systematic framework from which to search for structure-property relationships. In addition to providing a brief review of some of the relationships found using this framework, we present new findings that relate the lowering of kinetic energy in bonding regions to bond dissociation energy.

  3. Geometric Effects on the Amplification of First Mode Instability Waves

    NASA Technical Reports Server (NTRS)

    Kirk, Lindsay C.; Candler, Graham V.

    2013-01-01

    The effects of geometric changes on the amplification of first mode instability waves in an external supersonic boundary layer were investigated using numerical techniques. Boundary layer stability was analyzed at Mach 6 conditions similar to freestream conditions obtained in quiet ground test facilities so that results obtained in this study may be applied to future test article design to measure first mode instability waves. The DAKOTA optimization software package was used to optimize an axisymmetric geometry to maximize the amplification of the waves at first mode frequencies as computed by the 2D STABL hypersonic boundary layer stability analysis tool. First, geometric parameters such as nose radius, cone half angle, vehicle length, and surface curvature were examined separately to determine the individual effects on the first mode amplification. Finally, all geometric parameters were allowed to vary to produce a shape optimized to maximize the amplification of first mode instability waves while minimizing the amplification of second mode instability waves. Since first mode waves are known to be most unstable in the form of oblique wave, the geometries were optimized using a broad range of wave frequencies as well as a wide range of oblique wave angles to determine the geometry that most amplifies the first mode waves. Since first mode waves are seen most often in flows with low Mach numbers at the edge of the boundary layer, the edge Mach number for each geometry was recorded to determine any relationship between edge Mach number and the stability of first mode waves. Results indicate that an axisymmetric cone with a sharp nose and a slight flare at the aft end under the Mach 6 freestream conditions used here will lower the Mach number at the edge of the boundary layer to less than 4, and the corresponding stability analysis showed maximum first mode N factors of 3.

  4. Geometrical and Graphical Solutions of Quadratic Equations.

    ERIC Educational Resources Information Center

    Hornsby, E. John, Jr.

    1990-01-01

    Presented are several geometrical and graphical methods of solving quadratic equations. Discussed are Greek origins, Carlyle's method, von Staudt's method, fixed graph methods and imaginary solutions. (CW)

  5. Geometric feature extraction by a multimarked point process.

    PubMed

    Lafarge, Florent; Gimel'farb, Georgy; Descombes, Xavier

    2010-09-01

    This paper presents a new stochastic marked point process for describing images in terms of a finite library of geometric objects. Image analysis based on conventional marked point processes has already produced convincing results but at the expense of parameter tuning, computing time, and model specificity. Our more general multimarked point process has simpler parametric setting, yields notably shorter computing times, and can be applied to a variety of applications. Both linear and areal primitives extracted from a library of geometric objects are matched to a given image using a probabilistic Gibbs model, and a Jump-Diffusion process is performed to search for the optimal object configuration. Experiments with remotely sensed images and natural textures show that the proposed approach has good potential. We conclude with a discussion about the insertion of more complex object interactions in the model by studying the compromise between model complexity and efficiency. PMID:20634555

  6. Geometric and kinematic modelling of a human costal slice.

    PubMed

    Minotti, P; Lexcellent, C

    1991-01-01

    More and more powerful calculation methods are being used in the modelization of the human thorax, and considering the progress made in the domain of numerical analysis, this modelization is naturally being oriented toward the utilization of finite element methods. However, thoracic models are usually based on extremely simple geometric hypotheses, due mostly to the lack of dependable experimental data. Hence, the exploitation of sophisticated software is far from optimal. This study is based on experimental observations which allow the capabilities of the current means of calculation to be exploited to a maximum. The objectives of the study are the geometric and kinematic representations of a typical costal slice. A precise topographical measurement, performed by a robot, allows description of the costal geometry. The exploitation of these measurements then allows the identification of the costo-vertebral articulation. PMID:2055910

  7. Gear optimization

    NASA Technical Reports Server (NTRS)

    Vanderplaats, G. N.; Chen, Xiang; Zhang, Ning-Tian

    1988-01-01

    The use of formal numerical optimization methods for the design of gears is investigated. To achieve this, computer codes were developed for the analysis of spur gears and spiral bevel gears. These codes calculate the life, dynamic load, bending strength, surface durability, gear weight and size, and various geometric parameters. It is necessary to calculate all such important responses because they all represent competing requirements in the design process. The codes developed here were written in subroutine form and coupled to the COPES/ADS general purpose optimization program. This code allows the user to define the optimization problem at the time of program execution. Typical design variables include face width, number of teeth and diametral pitch. The user is free to choose any calculated response as the design objective to minimize or maximize and may impose lower and upper bounds on any calculated responses. Typical examples include life maximization with limits on dynamic load, stress, weight, etc. or minimization of weight subject to limits on life, dynamic load, etc. The research codes were written in modular form for easy expansion and so that they could be combined to create a multiple reduction optimization capability in future.

  8. Weak bond screening system

    NASA Astrophysics Data System (ADS)

    Chuang, S. Y.; Chang, F. H.; Bell, J. R.

    Consideration is given to the development of a weak bond screening system which is based on the utilization of a high power ultrasonic (HPU) technique. The instrumentation of the prototype bond strength screening system is described, and the adhesively bonded specimens used in the system developmental effort are detailed. Test results obtained from these specimens are presented in terms of bond strength and level of high power ultrasound irradiation. The following observations were made: (1) for Al/Al specimens, 2.6 sec of HPU irradiation will screen weak bond conditions due to improper preparation of bonding surfaces; (2) for composite/composite specimens, 2.0 sec of HPU irradiation will disrupt weak bonds due to under-cured conditions; (3) for Al honeycomb core with composite skin structure, 3.5 sec of HPU irradiation will disrupt weak bonds due to bad adhesive or oils contamination of bonding surfaces; and (4) for Nomex honeycomb with Al skin structure, 1.3 sec of HPU irradiation will disrupt weak bonds due to bad adhesive.

  9. Towards a unified description of the hydrogen bond network of liquid water: A dynamics based approach

    SciTech Connect

    Ozkanlar, Abdullah Zhou, Tiecheng; Clark, Aurora E.

    2014-12-07

    The definition of a hydrogen bond (H-bond) is intimately related to the topological and dynamic properties of the hydrogen bond network within liquid water. The development of a universal H-bond definition for water is an active area of research as it would remove many ambiguities in the network properties that derive from the fixed definition employed to assign whether a water dimer is hydrogen bonded. This work investigates the impact that an electronic-structure based definition, an energetic, and a geometric definition of the H-bond has upon both topological and dynamic network behavior of simulated water. In each definition, the use of a cutoff (either geometric or energetic) to assign the presence of a H-bond leads to the formation of transiently bonded or broken dimers, which have been quantified within the simulation data. The relative concentration of transient species, and their duration, results in two of the three definitions sharing similarities in either topological or dynamic features (H-bond distribution, H-bond lifetime, etc.), however no two definitions exhibit similar behavior for both classes of network properties. In fact, two networks with similar local network topology (as indicated by similar average H-bonds) can have dramatically different global network topology (as indicated by the defect state distributions) and altered H-bond lifetimes. A dynamics based correction scheme is then used to remove artificially transient H-bonds and to repair artificially broken bonds within the network such that the corrected network exhibits the same structural and dynamic properties for two H-bond definitions (the properties of the third definition being significantly improved). The algorithm described represents a significant step forward in the development of a unified hydrogen bond network whose properties are independent of the original hydrogen bond definition that is employed.

  10. Geometric Quantization and Foliation Reduction

    NASA Astrophysics Data System (ADS)

    Skerritt, Paul

    A standard question in the study of geometric quantization is whether symplectic reduction interacts nicely with the quantized theory, and in particular whether "quantization commutes with reduction." Guillemin and Sternberg first proposed this question, and answered it in the affirmative for the case of a free action of a compact Lie group on a compact Kahler manifold. Subsequent work has focused mainly on extending their proof to non-free actions and non-Kahler manifolds. For realistic physical examples, however, it is desirable to have a proof which also applies to non-compact symplectic manifolds. In this thesis we give a proof of the quantization-reduction problem for general symplectic manifolds. This is accomplished by working in a particular wavefunction representation, associated with a polarization that is in some sense compatible with reduction. While the polarized sections described by Guillemin and Sternberg are nonzero on a dense subset of the Kahler manifold, the ones considered here are distributional, having support only on regions of the phase space associated with certain quantized, or "admissible", values of momentum. We first propose a reduction procedure for the prequantum geometric structures that "covers" symplectic reduction, and demonstrate how both symplectic and prequantum reduction can be viewed as examples of foliation reduction. Consistency of prequantum reduction imposes the above-mentioned admissibility conditions on the quantized momenta, which can be seen as analogues of the Bohr-Wilson-Sommerfeld conditions for completely integrable systems. We then describe our reduction-compatible polarization, and demonstrate a one-to-one correspondence between polarized sections on the unreduced and reduced spaces. Finally, we describe a factorization of the reduced prequantum bundle, suggested by the structure of the underlying reduced symplectic manifold. This in turn induces a factorization of the space of polarized sections that agrees

  11. Geometric asymmetry driven Janus micromotors

    NASA Astrophysics Data System (ADS)

    Zhao, Guanjia; Pumera, Martin

    2014-09-01

    The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a ``coconut'' micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors.The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a ``coconut'' micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors. Electronic supplementary information (ESI) available: Additional SEM images, data analysis, Videos S

  12. An Investigation of Bonding-Layer Characteristics of Substrate-Bonded Fiber Bragg Grating

    NASA Astrophysics Data System (ADS)

    Cheng, Chih-Chun; Lo, Yu-Lung; Pun, B. S.; Chang, Y. M.; Li, W. Y.

    2005-11-01

    An analytic model of a bonding layer for a fiber Bragg grating (FBG) bonded on a substrate was developed to predict the strain transfer from the substrate to the FBG when the substrate is subjected to external forces. This model provides a guide on how to bond an FBG on a substrate as a strain sensor or as a chirp FBG spectrum-tuning device used in telecommunications. In addition, an inverse approach based on an optimization technique was developed to investigate which part of the strain distribution along the FBG causes sidebands and ripples when an FBG is stretched to become a chirped FBG (CFBG) using the substrate-straining technique. Results show that the primary influence of an unacceptable bonding layer on the strain transfer from the substrate to the FBG is near the two ends of the FBG, which causes sidebands in the reflective spectrum. Using a glue with a high shear modulus, we can increase the bonding length and reduce the bonding-layer thickness to effectively improve the strain transmissibility of the bonding layer. However, if the strain transfer from the substrate to the FBG exhibits fluctuations due to an improper bonding process or a deteriorating bonding layer, ripples occur in the corresponding wavelength spectra. The number and amplitude of the ripples correlate strongly to those of strain fluctuations in the FBG.

  13. Geometric programming prediction of design trends for OMV protective structures

    NASA Technical Reports Server (NTRS)

    Mog, R. A.; Horn, J. R.

    1990-01-01

    The global optimization trends of protective honeycomb structural designs for spacecraft subject to hypervelocity meteroid and space debris are presented. This nonlinear problem is first formulated for weight minimization of the orbital maneuvering vehicle (OMV) using a generic monomial predictor. Five problem formulations are considered, each dependent on the selection of independent design variables. Each case is optimized by considering the dual geometric programming problem. The dual variables are solved for in terms of the generic estimated exponents of the monomial predictor. The primal variables are then solved for by conversion. Finally, parametric design trends are developed for ranges of the estimated regression parameters. Results specify nonmonotonic relationships for the optimal first and second sheet mass per unit areas in terms of the estimated exponents.

  14. Chemical bonding for precision optical assemblies

    NASA Astrophysics Data System (ADS)

    Green, Katie; Burke, Jan; Oreb, Bozenko

    2011-02-01

    We report on the optimization of precision optical component assemblies for space application with respect to mechanical resilience and retention of optical tolerances such as flatness and angles. Optimized parameters include: the cleaning method of the surfaces to be joined; type, concentration, and quantity of the chemical bonding agent; and post-bonding and curing conditions. Experimental studies and quality assurance are complicated by the large statistical spread in breaking stress, which requires the preparation of a large number of samples. The results previously reported in literature have focused primarily on fused silica, rather than space-qualifiable materials such as Zerodur® and ULE®, and have typically addressed only one or two of the parameters. This study provides a comprehensive picture and a better general understanding of what makes a bond reliably strong.

  15. Geometric reasoning about assembly tools

    SciTech Connect

    Wilson, R.H.

    1997-01-01

    Planning for assembly requires reasoning about various tools used by humans, robots, or other automation to manipulate, attach, and test parts and subassemblies. This paper presents a general framework to represent and reason about geometric accessibility issues for a wide variety of such assembly tools. Central to the framework is a use volume encoding a minimum space that must be free in an assembly state to apply a given tool, and placement constraints on where that volume must be placed relative to the parts on which the tool acts. Determining whether a tool can be applied in a given assembly state is then reduced to an instance of the FINDPLACE problem. In addition, the author presents more efficient methods to integrate the framework into assembly planning. For tools that are applied either before or after their target parts are mated, one method pre-processes a single tool application for all possible states of assembly of a product in polynomial time, reducing all later state-tool queries to evaluations of a simple expression. For tools applied after their target parts are mated, a complementary method guarantees polynomial-time assembly planning. The author presents a wide variety of tools that can be described adequately using the approach, and surveys tool catalogs to determine coverage of standard tools. Finally, the author describes an implementation of the approach in an assembly planning system and experiments with a library of over one hundred manual and robotic tools and several complex assemblies.

  16. Geometrical aspects of quantum spaces

    SciTech Connect

    Ho, P.M.

    1996-05-11

    Various geometrical aspects of quantum spaces are presented showing the possibility of building physics on quantum spaces. In the first chapter the authors give the motivations for studying noncommutative geometry and also review the definition of a Hopf algebra and some general features of the differential geometry on quantum groups and quantum planes. In Chapter 2 and Chapter 3 the noncommutative version of differential calculus, integration and complex structure are established for the quantum sphere S{sub 1}{sup 2} and the quantum complex projective space CP{sub q}(N), on which there are quantum group symmetries that are represented nonlinearly, and are respected by all the aforementioned structures. The braiding of S{sub q}{sup 2} and CP{sub q}(N) is also described. In Chapter 4 the quantum projective geometry over the quantum projective space CP{sub q}(N) is developed. Collinearity conditions, coplanarity conditions, intersections and anharmonic ratios is described. In Chapter 5 an algebraic formulation of Reimannian geometry on quantum spaces is presented where Riemannian metric, distance, Laplacian, connection, and curvature have their quantum counterparts. This attempt is also extended to complex manifolds. Examples include the quantum sphere, the complex quantum projective space and the two-sheeted space. The quantum group of general coordinate transformations on some quantum spaces is also given.

  17. Phenomenological modeling of geometric metasurfaces.

    PubMed

    Ye, Weimin; Guo, Qinghua; Xiang, Yuanjiang; Fan, Dianyuan; Zhang, Shuang

    2016-04-01

    Metasurfaces, with their superior capability in manipulating the optical wavefront at the subwavelength scale and low manufacturing complexity, have shown great potential for planar photonics and novel optical devices. However, vector field simulation of metasurfaces is so far limited to periodic-structured metasurfaces containing a small number of meta-atoms in the unit cell by using full-wave numerical methods. Here, focusing on achiral meta-atoms only with electric polarizability and thickness far less than the wavelength of light, and ignoring the coupling between meta-atoms, we propose a general phenomenological method to analytically model the metasurfaces based on the assumption that the meta-atoms possess localized resonances with Lorentz-Drude forms, whose exact form can be retrieved from the full wave simulation of a single element. Applied to phase modulated geometric metasurfaces constituted by identical meta-atoms with different orientations, our analytical results show good agreement with full-wave numerical simulations. The proposed theory provides an efficient method to model and design optical devices based on metasurfaces. PMID:27137005

  18. Geometric morphology of cellular solids

    SciTech Connect

    Schlei, B. R.; Prasad, L.; Skourikhine, A. N.

    2001-01-01

    We demonstrate how to derive morphological information from micrographs, i.e., grey-level images, of polymeric foams. The segmentation of the images is performed by applying a pulse-coupled neural network. This processing generates blobs of the foams walls/struts and voids, respectively. The contours of the blobs and their corresponding points form the input to a constrained Delaunay tessellation, which provides an unstructured grid of the material under consideration. The subsequently applied Chordal Axis Transform captures the intrinsic shape characteristics, and facilitates the identification and localization of key morphological features. While stochastic features of the polymeric foams struts/walls such as areas, aspect ratios, etc., already can be computed at this stage, the foams voids require further geometric processing. The voids are separated into single foam cells. This shape manipulation leads to a refinement of the initial blob contours, which then requires the repeated application of the constrained Delaunay tessellation and Chordal Axis Transform, respectively. Using minimum enclosing rectangles for each foam cell, finally the stochastic features of the foam voids are computed.

  19. Bonded semiconductor substrate

    DOEpatents

    Atwater, Jr.; Harry A. , Zahler; James M.

    2010-07-13

    Ge/Si and other nonsilicon film heterostructures are formed by hydrogen-induced exfoliation of the Ge film which is wafer bonded to a cheaper substrate, such as Si. A thin, single-crystal layer of Ge is transferred to Si substrate. The bond at the interface of the Ge/Si heterostructures is covalent to ensure good thermal contact, mechanical strength, and to enable the formation of an ohmic contact between the Si substrate and Ge layers. To accomplish this type of bond, hydrophobic wafer bonding is used, because as the invention demonstrates the hydrogen-surface-terminating species that facilitate van der Waals bonding evolves at temperatures above 600.degree. C. into covalent bonding in hydrophobically bound Ge/Si layer transferred systems.

  20. Development of an Explosive Bonding Process for Producing High Strength Bonds between Niobium and 6061-T651 Aluminum

    SciTech Connect

    Palmer, T A; Elmer, J W; Brasher, D; Butler, D; Riddle, R

    2005-09-23

    An explosive bonding procedure for joining 9.5 mm thick niobium plate to 203 mm thick 6061-T651 Al plate has been developed in order to maximize the bond tensile and impact strengths and the amount of bonded material across the surface of the plate. This procedure improves upon previous efforts, in which the 9.5 mm thick niobium plate is bonded directly to 6061-T4 Al plate. In this improved procedure, thin Nb and Al interlayers are explosively clad between the thicker niobium and aluminum plates. Bonds produced using these optimized parameters display a tensile strength of approximately 255 MPa and an impact strength per unit area of approximately 0.148 J/mm{sup 2}. Specialized mechanical testing geometries and procedures are required to measure these bond properties because of the unique bond geometry. In order to ensure that differences in the thermal expansion coefficients of aluminum and niobium do not adversely affect the bond strength, the effects of thermal cycling at temperatures between -22 C and 45 C on the mechanical properties of these bonds have also been investigated by testing samples in both the as-received and thermal cycled conditions. Based on the results obtained from this series of mechanical tests, thermal cycling is shown to have no adverse effect on the resulting tensile and impact strengths of the bonds produced using the optimized bonding parameters.

  1. Bond strength of repaired amalgam restorations.

    PubMed

    Rey, Rosalia; Mondragon, Eduardo; Shen, Chiayi

    2015-01-01

    This in vitro study investigated the interfacial flexural strength (FS) of amalgam repairs and the optimal combination of repair materials and mechanical retention required for a consistent and durable repair bond. Amalgam bricks were created, each with 1 end roughened to expose a fresh surface before repair. Four groups followed separate repair protocols: group 1, bonding agent with amalgam; group 2, bonding agent with composite resin; group 3, mechanical retention (slot) with amalgam; and group 4, slot with bonding agent and amalgam. Repaired specimens were stored in artificial saliva for 1, 10, 30, 120, or 360 days before being loaded to failure in a 3-point bending test. Statistical analysis showed significant changes in median FS over time in groups 2 and 4. The effect of the repair method on the FS values after each storage period was significant for most groups except the 30-day storage groups. Amalgam-amalgam repair with adequate condensation yielded the most consistent and durable bond. An amalgam bonding agent could be beneficial when firm condensation on the repair surface cannot be achieved or when tooth structure is involved. Composite resin can be a viable option for amalgam repair in an esthetically demanding region, but proper mechanical modification of the amalgam surface and selection of the proper bonding system are essential. PMID:26325656

  2. Rapid bonding of Pyrex glass microchips.

    PubMed

    Akiyama, Yoshitake; Morishima, Keisuke; Kogi, Atsuna; Kikutani, Yoshikuni; Tokeshi, Manabu; Kitamori, Takehiko

    2007-03-01

    A newly developed vacuum hot press system has been specially designed for the thermal bonding of glass substrates in the fabrication process of Pyrex glass microchemical chips. This system includes a vacuum chamber equipped with a high-pressure piston cylinder and carbon plate heaters. A temperature of up to 900 degrees C and a force of as much as 9800 N could be applied to the substrates in a vacuum atmosphere. The Pyrex substrates bonded with this system under different temperatures, pressures, and heating times were evaluated by tensile strength tests, by measurements of thickness, and by observations of the cross-sectional shapes of the microchannels. The optimal bonding conditions of the Pyrex glass substrates were 570 degrees C for 10 min under 4.7 N/mm(2) of applied pressure. Whereas more than 16 h is required for thermal bonding with a conventional furnace, the new system could complete the whole bonding processes within just 79 min, including heating and cooling periods. Such improvements should considerably enhance the production rate of Pyrex glass microchemical chips. Whereas flat and dust-free surfaces are required for conventional thermal bonding, especially without long and repeated heating periods, our hot press system could press a fine dust into glass substrates so that even the areas around the dust were bonded. Using this capability, we were able to successfully integrate Pt/Ti thin film electrodes into a Pyrex glass microchip. PMID:17370301

  3. Energy pulse bonding

    NASA Technical Reports Server (NTRS)

    Smith, G. C.

    1972-01-01

    To eliminate many of the present termination problems a technique called energy pulse bonding (EPB) was developed. The process demonstrated the capability of: (1) joining conductors without prior removal of insulations, (2) joining conductors without danger of brittle intermetallics, (3) increased joint temperature capability, (4) simultaneous formation of several bonds, (5) capability of higher joint density, and (6) a production oriented process. The following metals were successfully bonded in the solid state: copper, beryllium copper, phosphor bronze, aluminum, brass, and Kovar.

  4. BONDING ALUMINUM METALS

    DOEpatents

    Noland, R.A.; Walker, D.E.

    1961-06-13

    A process is given for bonding aluminum to aluminum. Silicon powder is applied to at least one of the two surfaces of the two elements to be bonded, the two elements are assembled and rubbed against each other at room temperature whereby any oxide film is ruptured by the silicon crystals in the interface; thereafter heat and pressure are applied whereby an aluminum-silicon alloy is formed, squeezed out from the interface together with any oxide film, and the elements are bonded.

  5. Chemical bonding technology

    NASA Technical Reports Server (NTRS)

    Plueddemann, E.

    1986-01-01

    Primers employed in bonding together the various material interfaces in a photovoltaic module are being developed. The approach develops interfacial adhesion by generating actual chemical bonds between the various materials bonded together. The current status of the program is described along with the progress toward developing two general purpose primers for ethylene vinyl acetate (EVA), one for glass and metals, and another for plastic films.

  6. Gaining Insights into Children's Geometric Knowledge

    ERIC Educational Resources Information Center

    Mack, Nancy K.

    2007-01-01

    This article describes how research on children's geometric thinking was used in conjunction with the picture book "The Greedy Triangle" to gain valuable insights into children's prior geometric knowledge of polygons. Exercises focused on the names, visual appearance, and properties of polygons, as well as real-world connections for each, are…

  7. On geometric interpretation of the berry phase

    NASA Astrophysics Data System (ADS)

    Katanaev, M. O.

    2012-03-01

    A geometric interpretation of the Berry phase and its Wilczek-Zee non-Abelian generalization are given in terms of connections on principal fiber bundles. It is demonstrated that a principal fiber bundle can be trivial in all cases, while the connection and its holonomy group are nontrivial. Therefore, the main role is played by geometric rather than topological effects.

  8. Solving Absolute Value Equations Algebraically and Geometrically

    ERIC Educational Resources Information Center

    Shiyuan, Wei

    2005-01-01

    The way in which students can improve their comprehension by understanding the geometrical meaning of algebraic equations or solving algebraic equation geometrically is described. Students can experiment with the conditions of the absolute value equation presented, for an interesting way to form an overall understanding of the concept.

  9. Geometric Growing Patterns: What's the Rule?

    ERIC Educational Resources Information Center

    Hourigan, Mairéad; Leavy, Aisling

    2015-01-01

    While within a geometric repeating pattern, there is an identifiable core which is made up of objects that repeat in a predictable manner, a geometric growing pattern (also called visual or pictorial growing patterns in other curricula) "is a pattern that is made from a sequence of figures [or objects] that change from one term to the next in…

  10. The geometric semantics of algebraic quantum mechanics.

    PubMed

    Cruz Morales, John Alexander; Zilber, Boris

    2015-08-01

    In this paper, we will present an ongoing project that aims to use model theory as a suitable mathematical setting for studying the formalism of quantum mechanics. We argue that this approach provides a geometric semantics for such a formalism by means of establishing a (non-commutative) duality between certain algebraic and geometric objects. PMID:26124252

  11. Early Sex Differences in Weighting Geometric Cues

    ERIC Educational Resources Information Center

    Lourenco, Stella F.; Addy, Dede; Huttenlocher, Janellen; Fabian, Lydia

    2011-01-01

    When geometric and non-geometric information are both available for specifying location, men have been shown to rely more heavily on geometry compared to women. To shed insight on the nature and developmental origins of this sex difference, we examined how 18- to 24-month-olds represented the geometry of a surrounding (rectangular) space when…

  12. Valence bond entanglement entropy.

    PubMed

    Alet, Fabien; Capponi, Sylvain; Laflorencie, Nicolas; Mambrini, Matthieu

    2007-09-14

    We introduce for SU(2) quantum spin systems the valence bond entanglement entropy as a counting of valence bond spin singlets shared by two subsystems. For a large class of antiferromagnetic systems, it can be calculated in all dimensions with quantum Monte Carlo simulations in the valence bond basis. We show numerically that this quantity displays all features of the von Neumann entanglement entropy for several one-dimensional systems. For two-dimensional Heisenberg models, we find a strict area law for a valence bond solid state and multiplicative logarithmic corrections for the Néel phase. PMID:17930468

  13. Crystal chemistry of natural and synthetic trioctahedral micas: Exploring the limits of geometric crystal chemical models

    NASA Astrophysics Data System (ADS)

    Mercier, Patrick H. J.

    Seventy-five synthetic powder trioctahedral mica samples (between Mg, Co, Ni, and Fe end members, with different degrees of oxidation, vacancy and Al/Si contents, and including an OH/F substitution series) were studied by room-temperature powder X-ray diffraction. The iron-bearing samples were studied by 57Fe Mossbauer spectroscopy. Subsets of the samples were also characterized by scanning electron microscopy combined with energy dispersive spectroscopy, optical microscopy, X-ray fluorescence spectroscopy, and gas chromatography. Lattice parameters (refined under the 1M stacking polytype, space group C2/m) were determined for all powder samples and iron site populations ([4]Fe 3+, [6]Fe2+, and [6]Fe 2+) were obtained from Mossbauer spectroscopy. The relation (c/a)cosbeta* = 113 was found to hold exactly (within experimental error) for all synthetic powders whereas it does not hold in general for synthetic and natural 1M single-crystals. The above relation is predicted to hold for geometric home-octahedral sheets (having equal M1 and M2 site bond lengths) and not to hold for geometric meso-octahedral sheets (having unequal M1 and M2 site bond lengths). The counter-rotation of the M2 site of 1M single-crystals exactly (within experimental error) follows the geometric meso-octahedral sheet model, which, assuming a uniform octahedral sheet height and site-specific M1 and M2 bond lengths, predicts site-specific flattening angles and a counter-rotation angle for the M2 site which is uniquely determined by the bond length difference between the M1 and M2 sites. A geometric meso-octahedral 2:1 layer silicate was shown to require corrugated tetrahedral sheets composed of bond-distorted tetrahedra. Key geometric meso-octahedral distortions in 1M single-crystals were identified and elucidated: (i) intra-layer top-bottom displacements within a TOT layer; and (ii) a tetrahedral bending angle between the apical bond and the pyramidal base formed by the three basal bonds. Plots

  14. The role of bond tangency and bond gap in hard sphere crystallization of chains.

    PubMed

    Karayiannis, Nikos Ch; Foteinopoulou, Katerina; Laso, Manuel

    2015-03-01

    We report results from Monte Carlo simulations on dense packings of linear, freely-jointed chains of hard spheres of uniform size. In contrast to our past studies where bonded spheres along the chain backbone were tangent, in the present work a finite tolerance in the bond is allowed. Bond lengths are allowed to fluctuate in the interval [σ, σ + dl], where σ is the sphere diameter. We find that bond tolerance affects the phase behaviour of hard-sphere chains, especially in the close vicinity of the melting transition. First, a critical dl(crit) exists marking the threshold for crystallization, whose value decreases with increasing volume fraction. Second, bond gaps enhance the onset of phase transition by accelerating crystal nucleation and growth. Finally, bond tolerance has an effect on crystal morphologies: in the tangent limit the majority of structures correspond to stack-faulted random hexagonal close packing (rhcp). However, as bond tolerance increases a wealth of diverse structures can be observed: from single fcc (or hcp) crystallites to random hcp/fcc stackings with multiple directions. By extending the simulations over trillions of MC steps (10(12)) we are able to observe crystal-crystal transitions and perfection even for entangled polymer chains in accordance to the Ostwald's rule of stages in crystal polymorphism. Through simple geometric arguments we explain how the presence of rigid or flexible constraints affects crystallization in general atomic and particulate systems. Based on the present results, it can be concluded that proper tuning of bond gaps and of the connectivity network can be a controlling factor for the phase behaviour of model, polymer-based colloidal and granular systems. PMID:25594158

  15. Gaalop—High Performance Parallel Computing Based on Conformal Geometric Algebra

    NASA Astrophysics Data System (ADS)

    Hildenbrand, Dietmar; Pitt, Joachim; Koch, Andreas

    We present Gaalop (Geometric algebra algorithms optimizer), our tool for high-performance computing based on conformal geometric algebra. The main goal of Gaalop is to realize implementations that are most likely faster than conventional solutions. In order to achieve this goal, our focus is on parallel target platforms like FPGA (field-programmable gate arrays) or the CUDA technology from NVIDIA. We describe the concepts, current status, and future perspectives of Gaalop dealing with optimized software implementations, hardware implementations, and mixed solutions. An inverse kinematics algorithm of a humanoid robot is described as an example.

  16. Mobility in geometrically confined membranes.

    PubMed

    Domanov, Yegor A; Aimon, Sophie; Toombes, Gilman E S; Renner, Marianne; Quemeneur, François; Triller, Antoine; Turner, Matthew S; Bassereau, Patricia

    2011-08-01

    Lipid and protein lateral mobility is essential for biological function. Our theoretical understanding of this mobility can be traced to the seminal work of Saffman and Delbrück, who predicted a logarithmic dependence of the protein diffusion coefficient (i) on the inverse of the size of the protein and (ii) on the "membrane size" for membranes of finite size [Saffman P, Delbrück M (1975) Proc Natl Acad Sci USA 72:3111-3113]. Although the experimental proof of the first prediction is a matter of debate, the second has not previously been thought to be experimentally accessible. Here, we construct just such a geometrically confined membrane by forming lipid bilayer nanotubes of controlled radii connected to giant liposomes. We followed the diffusion of individual molecules in the tubular membrane using single particle tracking of quantum dots coupled to lipids or voltage-gated potassium channels KvAP, while changing the membrane tube radius from approximately 250 to 10 nm. We found that both lipid and protein diffusion was slower in tubular membranes with smaller radii. The protein diffusion coefficient decreased as much as 5-fold compared to diffusion on the effectively flat membrane of the giant liposomes. Both lipid and protein diffusion data are consistent with the predictions of a hydrodynamic theory that extends the work of Saffman and Delbrück to cylindrical geometries. This study therefore provides strong experimental support for the ubiquitous Saffman-Delbrück theory and elucidates the role of membrane geometry and size in regulating lateral diffusion. PMID:21768336

  17. Aggregation dynamics of molecular bonds between compliant materials.

    PubMed

    Jiang, Hongyuan; Qian, Jin; Lin, Yuan; Ni, Yong; He, Linghui

    2015-04-14

    In this paper, we develop a mechanochemical modeling framework in which the spatial-temporal evolution of receptor-ligand bonds takes place at the interface between two compliant media in the presence of an externally applied tensile load. Bond translocation, dissociation and association occur simultaneously, resulting in dynamic aggregation of molecular bonds that is regulated by mechanical factors such as material compliance and applied stress. The results show that bond aggregation is energetically favorable in the out-of-equilibrium process with convoluted time scales from bond diffusion and reaction. Material stiffness is predicted to contribute to adhesion growth and an optimal level of applied stress leads to the maximized size of bond clusters for integrin-based adhesion, consistent with related experimental observations on focal adhesions of cell-matrix interactions. The stress distribution within bond clusters is generally non-uniform and governed by the stress concentration index. PMID:25706682

  18. Characterizing the geometrical edges of nonlocal two-qubit gates

    SciTech Connect

    Balakrishnan, S.; Sankaranarayanan, R.

    2009-05-15

    Nonlocal two-qubit gates are geometrically represented by tetrahedron known as Weyl chamber within which perfect entanglers form a polyhedron. We identify that all edges of the Weyl chamber and polyhedron are formed by single parametric gates. Nonlocal attributes of these edges are characterized using entangling power and local invariants. In particular, SWAP{sup -{alpha}} family of gates with 0{<=}{alpha}{<=}1 constitutes one edge of the Weyl chamber with SWAP{sup -1/2} being the only perfect entangler. Finally, optimal constructions of controlled-NOT using SWAP{sup -1/2} gate and gates belong to three edges of the polyhedron are presented.

  19. Approaching improved adhesive bonding repeatability

    NASA Astrophysics Data System (ADS)

    Schlette, Christian; Müller, Tobias; Roβmann, Jürgen; Brecher, Christian

    2016-03-01

    Today, the precision of micro-optics assembly is mostly limited by the accuracy of the bonding process ― and in the case of adhesive bonding by the prediction and compensation of adhesive shrinkage during curing. In this contribution, we present a novel approach to address adhesive bonding based on hybrid control system theory. In hybrid control, dynamic systems are described as "plants" which produce discrete and/or continuous outputs from given discrete and/or continuous inputs, thus yielding a hybrid state space description of the system. The task of hybrid controllers is to observe the plant and to generate a discrete and/or continuous input sequence that guides or holds the plant in a desired target state region while avoiding invalid or unwanted intermediate states. Our approach is based on a series of experiments carried out in order to analyze, define and decouple the dependencies of adhesive shrinkage on multiple parameters, such as application geometries, fixture forces and UV intensities. As some of the dependencies describe continuous effects (e.g. shrinkage from UV intensity) and other dependencies describe discrete state transitions (e.g. fixture removal during curing), the resulting model of the overall bonding process is a hybrid dynamic system in the general case. For this plant model, we then propose a concept of sampling-based parameter search as a basis to design suitable hybrid controllers, which have the potential to optimize process control for a selection of assembly steps, thus improving the repeatability of related production steps like beam-shaping optics or mounting of turning mirrors for fiber coupling.

  20. Bond energy effects on strength, cooperativity and robustness of molecular structures.

    PubMed

    Chou, Chia-Ching; Buehler, Markus J

    2011-10-01

    A fundamental challenge in engineering biologically inspired materials and systems is the identification of molecular structures that define fundamental building blocks. Here, we report a systematic study of the effect of the energy of chemical bonds on the mechanical properties of molecular structures, specifically, their strength and robustness. By considering a simple model system of an assembly of bonds in a cluster, we demonstrate that weak bonding, as found for example in H-bonds, results in a highly cooperative behaviour where clusters of bonds operate synergistically to form relatively strong molecular clusters. The cooperative effect of bonding results in an enhanced robustness since the drop of strength owing to the loss of a bond in a larger cluster only results in a marginal reduction of the strength. Strong bonding, as found in covalent interactions such as disulphide bonds or in the backbone of proteins, results in a larger mechanical strength. However, the ability for bonds to interact cooperatively is lost, and, as a result, the overall robustness is lower since the mechanical strength hinges on individual bonds rather than a cluster of bonds. The systematic analysis presented here provides general insight into the interplay of bond energy, robustness and other geometric parameters such as bond spacing. We conclude our analysis with a correlation of structural data of natural protein structures, which confirms the conclusions derived from our study. PMID:23050078

  1. Geometrical structure and spin order of Gd13 cluster

    NASA Astrophysics Data System (ADS)

    Yuan, H. K.; Chen, H.; Kuang, A. L.; Wu, B.

    2011-09-01

    The spin-polarized generalized gradient approximation to the density-functional theory has been used to determine the lowest energy structure, electronic structure, and magnetic property of Gd13 cluster. Our results show that the ionic bonding is combined with the covalent characteristics in stabilizing the Gd cluster. The ferrimagnetic icosahedron is found to be the lowest energy configuration, in which the centered Gd atom couples antiferromagnetically with the rest Gd atoms surrounding it. No spin non-collinear evidence has been detected in our calculations. It is identified that the local magnetic moments of Gd atom are about 8 μB regardless of geometrical structure. Finally, the comprehensive electronic structure analyses show that the indirect long-range magnetic coupling between the polarized 4f is mediated by the polarization of 5d, 6s, and 6p conduction electrons, which is the typical Ruderman-Kittel-Kasuya-Yosida interactions.

  2. Interfacial bonding stability

    NASA Technical Reports Server (NTRS)

    Boerio, J.

    1984-01-01

    Interfacial bonding stability by in situ ellipsometry was investigated. It is found that: (1) gamma MPS is an effective primer for bonding ethylene vinyl acetate (EVA) to aluminum; (2) ellipsometry is an effective in situ technique for monitoring the stability of polymer/metal interfaces; (3) the aluminized back surface of silicon wafers contain significant amounts of silicon and may have glass like properties.

  3. The dissociative bond.

    PubMed

    Gordon, Nirit

    2013-01-01

    Dissociation leaves a psychic void and a lingering sense of psychic absence. How do 2 people bond while they are both suffering from dissociation? The author explores the notion of a dissociative bond that occurs in the aftermath of trauma--a bond that holds at its core an understanding and shared detachment from the self. Such a bond is confined to unspoken terms that are established in the relational unconscious. The author proposes understanding the dissociative bond as a transitional space that may not lead to full integration of dissociated knowledge yet offers some healing. This is exemplified by R. Prince's (2009) clinical case study. A relational perspective is adopted, focusing on the intersubjective aspects of a dyadic relationship. In the dissociative bond, recognition of the need to experience mutual dissociation can accommodate a psychic state that yearns for relationship when the psyche cannot fully confront past wounds. Such a bond speaks to the need to reestablish a sense of human relatedness and connection when both parties in the relationship suffer from disconnection. This bond is bound to a silence that becomes both a means of protection against the horror of traumatic memory and a way to convey unspoken gestures toward the other. PMID:23282044

  4. Chemical Bonds I

    ERIC Educational Resources Information Center

    Sanderson, R. T.

    1972-01-01

    Chemical bonding is discussed from a bond energy, rather than a wave mechanics, viewpoint. This approach is considered to be more suitable for the average student. (The second part of the article will appear in a later issue of the journal.) (AL)

  5. Earth-Bonding.

    ERIC Educational Resources Information Center

    Norgaard, Jim

    1988-01-01

    Defines "earth bonding" as dynamic interaction between individual and physical environment. Examines methods and goals of traditional environmental education. Describes development of five-day camping workshop for 11 outdoor education teachers. Describes how workshop facilitated earth bonding for teachers. Calls for further research in "bonding…

  6. Bio-inspired interfacial strengthening strategy through geometrically interlocking designs.

    PubMed

    Zhang, Yuming; Yao, Haimin; Ortiz, Christine; Xu, Jinquan; Dao, Ming

    2012-11-01

    Many biological materials, such as nacre and bone, are hybrid materials composed of stiff brittle ceramics and compliant organic materials. These natural organic/inorganic composites exhibit much enhanced strength and toughness in comparison to their constituents and inspires enormous biomimetic endeavors aiming to synthesize materials with superior mechanical properties. However, most current synthetic composites have not exhibited their full potential of property enhancement compared to the natural prototypes they are mimicking. One of the key issues is the weak junctions between stiff and compliant phases, which need to be optimized according to the intended functions of the composite material. Motivated by the geometrically interlocking designs of natural biomaterials, here we propose an interfacial strengthening strategy by introducing geometrical interlockers on the interfaces between compliant and stiff phases. Finite element analysis (FEA) shows that the strength of the composite depends strongly on the geometrical features of interlockers including shape, size, and structural hierarchy. Even for the most unfavorable scenario when neither adhesion nor friction is present between stiff and compliant phases, the tensile strength of the composites with proper interlocker design can reach up to 70% of the ideal value. The findings in this paper would provide guidelines to the improvement of the mechanical properties of current biomimetic composites. PMID:23032427

  7. Geometric quantum discord under noisy environment

    NASA Astrophysics Data System (ADS)

    Huang, Zhiming; Qiu, Daowen

    2016-05-01

    In this work, we mainly analyze the dynamics of geometric quantum discord under a common dissipating environment. Our results indicate that geometric quantum discord is generated when the initial state is a product state. The geometric quantum discord increases from zero to a stable value with the increasing time, and the variations of stable values depend on the system size. For different initial product states, geometric quantum discord has some different behaviors in contrast with entanglement. For initial maximally entangled state, it is shown that geometric quantum discord decays with the increasing dissipated time. It is found that for EPR state, entanglement is more robust than geometric quantum discord, which is a sharp contrast to the existing result that quantum discord is more robust than entanglement in noisy environments. However, for GHZ state and W state, geometric quantum discord is more stable than entanglement. By the comparison of quantum discord and entanglement, we find that a common dissipating environment brings complicated effects on quantum correlation, which may deepen our understanding of physical impacts of decohering environment on quantum correlation. In the end, we analyze the effects of collective dephasing noise and rotating noise to a class of two-qubit X states, and we find that quantum correlation is not altered by the collective noises.

  8. Conceptual aspects of geometric quantum computation

    NASA Astrophysics Data System (ADS)

    Sjöqvist, Erik; Azimi Mousolou, Vahid; Canali, Carlo M.

    2016-07-01

    Geometric quantum computation is the idea that geometric phases can be used to implement quantum gates, i.e., the basic elements of the Boolean network that forms a quantum computer. Although originally thought to be limited to adiabatic evolution, controlled by slowly changing parameters, this form of quantum computation can as well be realized at high speed by using nonadiabatic schemes. Recent advances in quantum gate technology have allowed for experimental demonstrations of different types of geometric gates in adiabatic and nonadiabatic evolution. Here, we address some conceptual issues that arise in the realizations of geometric gates. We examine the appearance of dynamical phases in quantum evolution and point out that not all dynamical phases need to be compensated for in geometric quantum computation. We delineate the relation between Abelian and non-Abelian geometric gates and find an explicit physical example where the two types of gates coincide. We identify differences and similarities between adiabatic and nonadiabatic realizations of quantum computation based on non-Abelian geometric phases.

  9. On geometric factors for neutral particle analyzers

    SciTech Connect

    Stagner, L.; Heidbrink, W. W.

    2014-11-15

    Neutral particle analyzers (NPA) detect neutralized energetic particles that escape from plasmas. Geometric factors relate the counting rate of the detectors to the intensity of the particle source. Accurate geometric factors enable quick simulation of geometric effects without the need to resort to slower Monte Carlo methods. Previously derived expressions [G. R. Thomas and D. M. Willis, “Analytical derivation of the geometric factor of a particle detector having circular or rectangular geometry,” J. Phys. E: Sci. Instrum. 5(3), 260 (1972); J. D. Sullivan, “Geometric factor and directional response of single and multi-element particle telescopes,” Nucl. Instrum. Methods 95(1), 5–11 (1971)] for the geometric factor implicitly assume that the particle source is very far away from the detector (far-field); this excludes applications close to the detector (near-field). The far-field assumption does not hold in most fusion applications of NPA detectors. We derive, from probability theory, a generalized framework for deriving geometric factors that are valid for both near and far-field applications as well as for non-isotropic sources and nonlinear particle trajectories.

  10. Activation of C-H and B-H bonds through agostic bonding: an ELF/QTAIM insight.

    PubMed

    Zins, Emilie-Laure; Silvi, Bernard; Alikhani, M Esmaïl

    2015-04-14

    Agostic bonding is of paramount importance in C-H bond activation processes. The reactivity of the σ C-H bond thus activated will depend on the nature of the metallic center, the nature of the ligand involved in the interaction and co-ligands, as well as on geometric parameters. Because of their importance in organometallic chemistry, a qualitative classification of agostic bonding could be very much helpful. Herein we propose descriptors of the agostic character of bonding based on the electron localization function (ELF) and Quantum Theory of Atoms in Molecules (QTAIM) topological analysis. A set of 31 metallic complexes taken, or derived, from the literature was chosen to illustrate our methodology. First, some criteria should prove that an interaction between a metallic center and a σ X-H bond can indeed be described as "agostic" bonding. Then, the contribution of the metallic center in the protonated agostic basin, in the ELF topological description, may be used to evaluate the agostic character of bonding. A σ X-H bond is in agostic interaction with a metal center when the protonated X-H basin is a trisynaptic basin with a metal contribution strictly larger than the numerical uncertainty, i.e. 0.01 e. In addition, it was shown that the weakening of the electron density at the X-Hagostic bond critical point with respect to that of X-Hfree well correlates with the lengthening of the agostic X-H bond distance as well as with the shift of the vibrational frequency associated with the νX-H stretching mode. Furthermore, the use of a normalized parameter that takes into account the total population of the protonated basin, allows the comparison of the agostic character of bonding involved in different complexes. PMID:25760795

  11. Shape Bonding method

    NASA Technical Reports Server (NTRS)

    Pontius, James T. (Inventor)

    2010-01-01

    The present invention is directed to a method of bonding at least two surfaces together. The methods step of the present invention include applying a strip of adhesive to a first surface along a predefined outer boundary of a bond area and thereby defining a remaining open area there within. A second surface, or gusset plate, is affixed onto the adhesive before the adhesive cures. The strip of adhesive is allowed to cure and then a second amount of adhesive is applied to cover the remaining open area and substantially fill a void between said first and second surfaces about said bond area. A stencil may be used to precisely apply the strip of adhesive. When the strip cures, it acts as a dam to prevent overflow of the subsequent application of adhesive to undesired areas. The method results in a precise bond area free of undesired shapes and of a preferred profile which eliminate the drawbacks of the prior art bonds.

  12. Halogen bonding anion recognition.

    PubMed

    Brown, Asha; Beer, Paul D

    2016-07-01

    A halogen bond is an attractive non-covalent interaction between an electrophilic region in a covalently bonded halogen atom and a Lewis base. While these interactions have long been exploited as a tool in crystal engineering their powerful ability to direct supramolecular self-assembly and molecular recognition processes in solution has, until recently, been overlooked. During the last decade however an ever-increasing number of studies on solution-phase halogen-bond-mediated anion recognition processes has emerged. This Feature Article summarises advancements which have been made thus far in this rapidly developing research area. We survey the use of iodoperfluoroarene, haloimidazolium and halotriazole/triazolium halogen-bond-donor motifs in anion receptor design, before providing an account of our research into the application of mechanically interlocked rotaxane and catenane frameworks as halogen bonding anion host systems. PMID:27273600

  13. Ultrasonically bonded value assembly

    NASA Technical Reports Server (NTRS)

    Salvinski, R. J. (Inventor)

    1975-01-01

    A valve apparatus capable of maintaining a fluid-tight seal over a relatively long period of time by releasably bonding a valve member to its seat is described. The valve member is bonded or welded to the seat and then released by the application of the same energy to the bond joint. The valve member is held in place during the bonding by a clamping device. An appropriate force device can activate the opening and closing of the valve member. Various combinations of material for the valve member and valve seat can be utilized to provide an adequate sealing bond. Aluminum oxide, stainless steel, inconel, tungsten carbide as hard materials and copper, aluminum, titanium, silver, and gold as soft materials are suggested.

  14. Wood Bond Testing

    NASA Technical Reports Server (NTRS)

    1989-01-01

    A joint development program between Hartford Steam Boiler Inspection Technologies and The Weyerhaeuser Company resulted in an internal bond analyzer (IBA), a device which combines ultrasonics with acoustic emission testing techniques. It is actually a spinoff from a spinoff, stemming from a NASA Lewis invented acousto-ultrasonic technique that became a system for testing bond strength of composite materials. Hartford's parent company, Acoustic Emission Technology Corporation (AET) refined and commercialized the technology. The IBA builds on the original system and incorporates on-line process control systems. The IBA determines bond strength by measuring changes in pulsar ultrasonic waves injected into a board. Analysis of the wave determines the average internal bond strength for the panel. Results are displayed immediately. Using the system, a mill operator can adjust resin/wood proportion, reduce setup time and waste, produce internal bonds of a consistent quality and automatically mark deficient products.

  15. Geometric Gyrokinetic Theory for Edge Plasma

    SciTech Connect

    Qin, H; Cohen, R H; Nevins, W M; Xu, X Q

    2007-01-18

    It turns out that gyrokinetic theory can be geometrically formulated as special cases of a geometrically generalized Vlasov-Maxwell system. It is proposed that the phase space of the spacetime is a 7-dimensional fiber bundle P over the 4-dimensional spacetime M, and that a Poincare-Cartan-Einstein 1-form {gamma} on the 7-dimensional phase space determines particles worldlines in the phase space. Through Liouville 6-form {Omega} and fiber integral, the 1-form {gamma} also uniquely defines a geometrically generalized Vlasov-Maxwell system as a field theory for the collective electromagnetic field. The geometric gyrokinetic theory is then developed as a special case of the geometrically generalized Vlasov-Maxwell system. In its most general form, gyrokinetic theory is about a symmetry, called gyro-symmetry, for magnetized plasmas, and the 1-form {gamma} again uniquely defines the gyro-symmetry. The objective is to decouple the gyro-phase dynamics from the rest of particle dynamics by finding the gyro-symmetry in {gamma}. Compared with other methods of deriving the gyrokinetic equations, the advantage of the geometric approach is that it allows any approximation based on mathematical simplification or physical intuition to be made at the 1-form level, and yet the field theories still have the desirable exact conservation properties such as phase space volume conservation and energy-momentum conservation if the 1-form does not depend on the spacetime coordinate explicitly. A set of generalized gyrokinetic equations valid for the edge plasmas is then derived using this geometric method. This formalism allows large-amplitude, time-dependent background electromagnetic fields to be developed fully nonlinearly in addition to small-amplitude, short-wavelength electromagnetic perturbations. The fact that we adopted the geometric method in the present study does not necessarily imply that the major results reported here can not be achieved using classical methods. What the

  16. A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems

    PubMed Central

    Aakeröy, Christer B.; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John

    2015-01-01

    As halogen bonds gain prevalence in supramolecular synthesis and materials chemistry, it has become necessary to examine more closely how such interactions compete with or complement hydrogen bonds whenever both are present within the same system. As hydrogen and halogen bonds have several fundamental features in common, it is often difficult to predict which will be the primary interaction in a supramolecular system, especially as they have comparable strength and geometric requirements. To address this challenge, a series of molecules containing both hydrogen- and halogen-bond donors were co-crystallized with various monotopic, ditopic symmetric and ditopic asymmetric acceptor molecules. The outcome of each reaction was examined using IR spectroscopy and, whenever possible, single-crystal X-ray diffraction. 24 crystal structures were obtained and subsequently analyzed, and the synthon preferences of the competing hydrogen- and halogen-bond donors were rationalized against a background of calculated molecular electrostatic potential values. It has been shown that readily accessible electrostatic potentials can offer useful practical guidelines for predicting the most likely primary synthons in these co-crystals as long as the potential differences are weighted appropriately. PMID:26306192

  17. Recognition of Watson-Crick base pairs: constraints and limits due to geometric selection and tautomerism

    PubMed Central

    Yusupov, Marat; Yusupova, Gulnara

    2014-01-01

    The natural bases of nucleic acids have a strong preference for one tautomer form, guaranteeing fidelity in their hydrogen bonding potential. However, base pairs observed in recent crystal structures of polymerases and ribosomes are best explained by an alternative base tautomer, leading to the formation of base pairs with Watson-Crick-like geometries. These observations set limits to geometric selection in molecular recognition of complementary Watson-Crick pairs for fidelity in replication and translation processes. PMID:24765524

  18. Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

    NASA Astrophysics Data System (ADS)

    Sebastian, S.; Sylvestre, S.; Jayarajan, D.; Amalanathan, M.; Oudayakumar, K.; Gnanapoongothai, T.; Jayavarthanan, T.

    2013-01-01

    In this work, we report harmonic vibrational frequencies, molecular structure, NBO and HOMO, LUMO analysis of Umbelliferone also known as 7-hydroxycoumarin (7HC). The optimized geometric bond lengths and bond angles obtained by computation (monomer and dimmer) shows good agreement with experimental XRD data. Harmonic frequencies of 7HC were determined and analyzed by DFT utilizing 6-311+G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The change in electron density (ED) in the σ* and π* antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyperconjugation of hydrogen-bonded interaction. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) complements with the experimental findings. The simulated spectra satisfactorily coincides with the experimental spectra. Microbial activity of studied compounds was tested against Staphylococcus aureus, Streptococcus pyogenes, Bacillus subtilis, Escherichia coli, Psuedomonas aeruginosa, Klebsiella pneumoniae, Proteus mirabilis, Shigella flexneri, Salmonella typhi and Enterococcus faecalis.

  19. Mirror profile optimization for nano-focusing KB mirror

    SciTech Connect

    Zhang Lin; Baker, Robert; Barrett, Ray; Cloetens, Peter; Dabin, Yves

    2010-06-23

    A KB focusing mirror width profile has been optimized to achieve nano-focusing for the nano-imaging end-station ID22NI at the ESRF. The complete mirror and flexure bender assembly has been modeled in 3D with finite element analysis using ANSYS. Bender stiffness, anticlastic effects and geometrical non-linear effects have been considered. Various points have been studied: anisotropy and crystal orientation, stress in the mirror and bender, actuator resolution and the mirror-bender adhesive bonding... Extremely high performance of the mirror is expected with residual slope error smaller than 0.6 {mu}rad, peak-to-valley, compared to the bent slope of 3000 {mu}rad.

  20. Ionicities of Boron-Boron Bonds in B12 Icosahedra

    NASA Astrophysics Data System (ADS)

    He, Julong; Wu, Erdong; Wang, Huitian; Liu, Riping; Tian, Yongjun

    2005-01-01

    First-principles calculations are used to investigate ionicities of boron-boron bonds in B12 icosahedra. It is observed that the geometrical symmetry breaking of B12 icosahedra results in the spatial asymmetry of charge density on each boron-boron bond, and further in the ionicity of B12 icosahedra. The results calculated by a new ionicity scale, a population ionicity scale, indicate that the maximum ionicity among those boron-boron bonds is larger than that of boron-nitrogen bonds in the III-V compound cubic BN. It is of great importance that such an ionicity concept can be extended to boron-rich solids and identical atom clusters.

  1. Dilemmas in zirconia bonding: A review.

    PubMed

    Dbradović-Djuricić, Kosovka; Medić, Vesna; Dodić, Slobodan; Gavrilov, Dragan; Antonijević, Djordje; Zrilić, Milorad

    2013-01-01

    This article presents a literature review on the resin bond to zirconia ceramic. Modern esthetic dentistry has highly recognized zirconia, among other ceramic materials. Biocompatibility of zirconia, chemical and dimensional stability, excellent mechanical properties, all together could guarantee optimal therapeutical results in complex prosthodontic reconstruction. On the other hand, low thermal degradation, aging of zirconia as well as problematic bonding of zirconia framework to dental luting cements and tooth structures, opened the room for discussion concerning their clinical durability.The well known methods of mechanical and chemical bonding used on glass-ceramics are not applicable for use with zirconia. Therefore, under critical clinical situations, selection of the bonding mechanism should be focused on two important points: high initial bond strength value and long term bond strength between zirconia-resin interface. Also, this paper emphases the use of phosphate monomer luting cements on freshly air-abraded zirconia as the simplest and most effective way for zirconia cementation procedure today. PMID:23858816

  2. The variational subspace valence bond method

    SciTech Connect

    Fletcher, Graham D.

    2015-04-07

    The variational subspace valence bond (VSVB) method based on overlapping orbitals is introduced. VSVB provides variational support against collapse for the optimization of overlapping linear combinations of atomic orbitals (OLCAOs) using modified orbital expansions, without recourse to orthogonalization. OLCAO have the advantage of being naturally localized, chemically intuitive (to individually model bonds and lone pairs, for example), and transferrable between different molecular systems. Such features are exploited to avoid key computational bottlenecks. Since the OLCAO can be doubly occupied, VSVB can access very large problems, and calculations on systems with several hundred atoms are presented.

  3. Surgical correction of gynecomastia: a geometric approach.

    PubMed

    Martin, Antony E; Olinger, Thomas A; Yu, Jack C

    2015-05-01

    Many techniques are available for surgical correction of gynecomastia. In this article, we describe a technique based on geometrical principles that is simple to execute, effective, highly reproducible, and relies less on intuition of the surgeon. PMID:25919255

  4. Geometric symmetries in superfluid vortex dynamics

    SciTech Connect

    Kozik, Evgeny; Svistunov, Boris

    2010-10-01

    Dynamics of quantized vortex lines in a superfluid feature symmetries associated with the geometric character of the complex-valued field, w(z)=x(z)+iy(z), describing the instant shape of the line. Along with a natural set of Noether's constants of motion, which - apart from their rather specific expressions in terms of w(z) - are nothing but components of the total linear and angular momenta of the fluid, the geometric symmetry brings about crucial consequences for kinetics of distortion waves on the vortex lines, the Kelvin waves. It is the geometric symmetry that renders Kelvin-wave cascade local in the wave-number space. Similar considerations apply to other systems with purely geometric degrees of freedom.

  5. The Pentagon Problem: Geometric Reasoning with Technology.

    ERIC Educational Resources Information Center

    Zbiek, Rose Mary

    1996-01-01

    Presents an activity, involving pentagons and using a figure manipulator such as The Geometer's Sketchpad, that requires students to reason geometrically without making unsubstantiated assumptions based on diagrams. (MKR)

  6. The perception of geometrical structure from congruence

    NASA Technical Reports Server (NTRS)

    Lappin, Joseph S.; Wason, Thomas D.

    1989-01-01

    The principle function of vision is to measure the environment. As demonstrated by the coordination of motor actions with the positions and trajectories of moving objects in cluttered environments and by rapid recognition of solid objects in varying contexts from changing perspectives, vision provides real-time information about the geometrical structure and location of environmental objects and events. The geometric information provided by 2-D spatial displays is examined. It is proposed that the geometry of this information is best understood not within the traditional framework of perspective trigonometry, but in terms of the structure of qualitative relations defined by congruences among intrinsic geometric relations in images of surfaces. The basic concepts of this geometrical theory are outlined.

  7. Dynamics and Control of a Quadrotor with Active Geometric Morphing

    NASA Astrophysics Data System (ADS)

    Wallace, Dustin A.

    Quadrotors are manufactured in a wide variety of shapes, sizes, and performance levels to fulfill a multitude of roles. Robodub Inc. has patented a morphing quadrotor which will allow active reconfiguration between various shapes for performance optimization across a wider spectrum of roles. The dynamics of the system are studied and modeled using Newtonian Mechanics. Controls are developed and simulated using both Linear Quadratic and Numerical Nonlinear Optimal control for a symmetric simplificiation of the system dynamics. Various unique vehicle capabilities are investigated, including novel single-throttle flight control using symmetric geometric morphing, as well as recovery from motor loss by reconfiguring into a trirotor configuration. The system dynamics were found to be complex and highly nonlinear. All attempted control strategies resulted in controllability, suggesting further research into each may lead to multiple viable control strategies for a physical prototype.

  8. The Halogen Bond

    PubMed Central

    2016-01-01

    The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design. PMID:26812185

  9. The Halogen Bond.

    PubMed

    Cavallo, Gabriella; Metrangolo, Pierangelo; Milani, Roberto; Pilati, Tullio; Priimagi, Arri; Resnati, Giuseppe; Terraneo, Giancarlo

    2016-02-24

    The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design. PMID:26812185

  10. Machine Learning and Geometric Technique for SLAM

    NASA Astrophysics Data System (ADS)

    Bernal-Marin, Miguel; Bayro-Corrochano, Eduardo

    This paper describes a new approach for building 3D geometric maps using a laser rangefinder, a stereo camera system and a mathematical system the Conformal Geometric Algebra. The use of a known visual landmarks in the map helps to carry out a good localization of the robot. A machine learning technique is used for recognition of objects in the environment. These landmarks are found using the Viola and Jones algorithm and are represented with their position in the 3D virtual map.

  11. The Geometric Grids of the Hieratic Numeral.

    NASA Astrophysics Data System (ADS)

    Aboulfotouh, Hossam M. K.

    The paper discusses the geometrical designs of the hieratic numeral signs. It shows the regular-grid-patterns of squares upon which, the shapes of the already decoded hieratic numeral-signs, have been designed. Also, it shows the design of some hieratic numeral signs, based on subdividing the circle; and the hieratic signs of modular notation. It might reveal the basic geometrical level of understanding of anonymous ancient Egyptians who designed them some four thousand years ago.

  12. Investigation of geometrical and scoring grid resolution for Monte Carlo dose calculations for IMRT

    NASA Astrophysics Data System (ADS)

    DeSmedt, B.; Vanderstraeten, B.; Reynaert, N.; DeNeve, W.; Thierens, H.

    2005-09-01

    and introduce a speed increase by a factor of 13. The scoring grid provides an additional degree of freedom for limiting calculation time and memory requirements by selecting optimized scoring and geometrical voxel dimensions in an independent way.

  13. Diffusion Bonding of Silicon Carbide for MEMS-LDI Applications

    NASA Technical Reports Server (NTRS)

    Halbig, Michael C.; Singh, Mrityunjay; Shpargel, Tarah P.; Kiser, J. Douglas

    2007-01-01

    A robust joining approach is critically needed for a Micro-Electro-Mechanical Systems-Lean Direct Injector (MEMS-LDI) application which requires leak free joints with high temperature mechanical capability. Diffusion bonding is well suited for the MEMS-LDI application. Diffusion bonds were fabricated using titanium interlayers between silicon carbide substrates during hot pressing. The interlayers consisted of either alloyed titanium foil or physically vapor deposited (PVD) titanium coatings. Microscopy shows that well adhered, crack free diffusion bonds are formed under optimal conditions. Under less than optimal conditions, microcracks are present in the bond layer due to the formation of intermetallic phases. Electron microprobe analysis was used to identify the reaction formed phases in the diffusion bond. Various compatibility issues among the phases in the interlayer and substrate are discussed. Also, the effects of temperature, pressure, time, silicon carbide substrate type, and type of titanium interlayer and thickness on the microstructure and composition of joints are discussed.

  14. Application of geometric algebra for the description of polymer conformations.

    PubMed

    Chys, Pieter

    2008-03-14

    In this paper a Clifford algebra-based method is applied to calculate polymer chain conformations. The approach enables the calculation of the position of an atom in space with the knowledge of the bond length (l), valence angle (theta), and rotation angle (phi) of each of the preceding bonds in the chain. Hence, the set of geometrical parameters {l(i),theta(i),phi(i)} yields all the position coordinates p(i) of the main chain atoms. Moreover, the method allows the calculation of side chain conformations and the computation of rotations of chain segments. With these features it is, in principle, possible to generate conformations of any type of chemical structure. This method is proposed as an alternative for the classical approach by matrix algebra. It is more straightforward and its final symbolic representation considerably simpler than that of matrix algebra. Approaches for realistic modeling by means of incorporation of energetic considerations can be combined with it. This article, however, is entirely focused at showing the suitable mathematical framework on which further developments and applications can be built. PMID:18345877

  15. Optimization of piezoelectric bistable composite plates for broadband vibrational energy harvesting

    NASA Astrophysics Data System (ADS)

    Betts, David N.; Kim, H. Alicia; Bowen, Christopher R.; Inman, Daniel J.

    2012-04-01

    This paper presents a unique arrangement of bistable composite plates with piezoelectric patches bonded to its surface to perform broadband vibration-based energy harvesting from ambient mechanical vibrations. These bistable nonlinear devices have been shown to have improved power generation compared to conventional resonant systems and can be designed to occupy smaller volumes than bistable magnetic cantilever systems. This paper presents the results of an optimization study of bistable composites that are capable of generating greater electrical power from a smaller space by discovering the correct geometric configuration for energy harvesting. Optimum solutions are investigated in a series of design parameter studies intended to reveal the complex interactions of the physical constraints and design requirements. The proposed approach considers the optimal choice of device aspect ratio, thickness, laminate stacking sequence, and piezoelectric surface area. Increased electrical output is found for geometries and piezoelectric configurations which have not been considered previously.

  16. Bonding aerogels with polyurethanes

    SciTech Connect

    Matthews, F.M.; Hoffman, D.M.

    1989-11-01

    Aerogels, porous silica glasses with ultra-fine cell size (30nm), are made by a solution gelation (sol-gel) process. The resulting gel is critical point dried to densities from 0.15--0.60 g/cc. This material is machinable, homogeneous, transparent, coatable and bondable. To bond aerogel an adhesive should have long cure time, no attack on the aerogel structure, and high strength. Several epoxies and urethanes were examined to determine if they satisfied these conditions. Bond strengths above 13 psi were found with double bubble and DP-110 epoxies and XI-208/ODA-1000 and Castall U-2630 urethanes. Hardman Kalex Tough Stuff'' A-85 hardness urethane gave 18 psi bond strength. Hardman A-85, Tuff-Stuff'' was selected for further evaluation because it produced bond strengths comparable to the adherend cohesive strength. 5 refs., 2 figs.

  17. Junk-Bond Colleges.

    ERIC Educational Resources Information Center

    Van Der Werf, Martin

    2003-01-01

    Describes how a long-predicted decline in the fortunes of small private colleges is beginning to show up in the bond market, as the number of colleges now rated in the junk category has nearly doubled. (EV)

  18. Detecting Defective Solder Bonds

    NASA Technical Reports Server (NTRS)

    Paulson, R.; Barney, J.; Decker, H. J.

    1984-01-01

    Method is noncontact and nondestructive. Technique detects solder bonds in solar array of other large circuit board, using thermal-imaging camera. Board placed between heat lamp and camera. Poor joints indiated by "cold" spots on the infrared image.

  19. Diffusion Bonding of Silicon Carbide Ceramics using Titanium Interlayers

    NASA Technical Reports Server (NTRS)

    Halbig, Michael C.; Singh, Mrityunjay; Shpargel, Tarah P.; Kiser, James D.

    2006-01-01

    Robust joining approaches for silicon carbide ceramics are critically needed to fabricate leak free joints with high temperature mechanical capability. In this study, titanium foils and physical vapor deposited (PVD) titanium coatings were used to form diffusion bonds between SiC ceramics using hot pressing. Silicon carbide substrate materials used for bonding include sintered SiC and two types of CVD SiC. Microscopy results show the formation of well adhered diffusion bonds. The bond strengths as determined from pull tests are on the order of several ksi, which is much higher than required for a proposed application. Microprobe results show the distribution of silicon, carbon, titanium, and other minor elements across the diffusion bond. Compositions of several phases formed in the joint region were identified. Potential issues of material compatibility and optimal bond formation will also be discussed.

  20. Cryogenic evaluation of epoxy bond strength

    NASA Astrophysics Data System (ADS)

    Albritton, N.; Young, W.

    The purpose of the work presented here was to determine methods of optimizing the adhesion of a particular epoxy (CTD-101K, Composite Technology Development Inc.) to a particular nickel-based alloy substrate (Incoloy ® 908, Inco Alloys International) for cryogenic applications. Initial efforts were focused on surface preparation of the substrate material via various mechanical and chemical cleaning techniques. Test samples, fabricated to simulate the conduit-to-insulation interface, were put through a mock heat treat and vacuum/pressure impregnation process. Samples were compression/shear load tested to compare the bond strengths at room temperature and liquid nitrogen temperature. The resulting data indicate that acid etching creates a higher bond strength than the other tested techniques and that the bond formed is stronger at cryogenic temperatures than at room temperature. A description of the experiment along with the resulting data is presented here.

  1. Geometric effects on stress wave propagation.

    PubMed

    Johnson, K L; Trim, M W; Horstemeyer, M F; Lee, N; Williams, L N; Liao, J; Rhee, H; Prabhu, R

    2014-02-01

    The present study, through finite element simulations, shows the geometric effects of a bioinspired solid on pressure and impulse mitigation for an elastic, plastic, and viscoelastic material. Because of the bioinspired geometries, stress wave mitigation became apparent in a nonintuitive manner such that potential real-world applications in human protective gear designs are realizable. In nature, there are several toroidal designs that are employed for mitigating stress waves; examples include the hyoid bone on the back of a woodpecker's jaw that extends around the skull to its nose and a ram's horn. This study evaluates four different geometries with the same length and same initial cross-sectional diameter at the impact location in three-dimensional finite element analyses. The geometries in increasing complexity were the following: (1) a round cylinder, (2) a round cylinder that was tapered to a point, (3) a round cylinder that was spiraled in a two dimensional plane, and (4) a round cylinder that was tapered and spiraled in a two-dimensional plane. The results show that the tapered spiral geometry mitigated the greatest amount of pressure and impulse (approximately 98% mitigation) when compared to the cylinder regardless of material type (elastic, plastic, and viscoelastic) and regardless of input pressure signature. The specimen taper effectively mitigated the stress wave as a result of uniaxial deformational processes and an induced shear that arose from its geometry. Due to the decreasing cross-sectional area arising from the taper, the local uniaxial and shear stresses increased along the specimen length. The spiral induced even greater shear stresses that help mitigate the stress wave and also induced transverse displacements at the tip such that minimal wave reflections occurred. This phenomenon arose although only longitudinal waves were introduced as the initial boundary condition (BC). In nature, when shearing occurs within or between materials

  2. Modeling and experimental evaluation of the diffusion bonding of the oxide dispersion strengthened steel PM2000

    NASA Astrophysics Data System (ADS)

    Sittel, Wiebke; Basuki, Widodo W.; Aktaa, Jarir

    2015-10-01

    A modeling based optimization process of the solid state diffusion bonding is presented for joining ferritic oxide dispersion strengthened steels PM2000. An optimization study employing varying bonding temperatures and pressures results in almost the same strength and toughness of the bonded compared to the as received material. TEM investigations of diffusion bonded samples show a homogeneous distribution of oxide particles at the bonding seam similar to that in the bulk. Hence, no loss in strength or creep resistance due to oxide particle agglomeration is found, as verified by the mechanical properties observed for the joint.

  3. Optimizing electrostatic field calculations with the Adaptive Poisson-Boltzmann Solver to predict electric fields at protein-protein interfaces II: explicit near-probe and hydrogen-bonding water molecules.

    PubMed

    Ritchie, Andrew W; Webb, Lauren J

    2014-07-17

    We have examined the effects of including explicit, near-probe solvent molecules in a continuum electrostatics strategy using the linear Poisson-Boltzmann equation with the Adaptive Poisson-Boltzmann Solver (APBS) to calculate electric fields at the midpoint of a nitrile bond both at the surface of a monomeric protein and when docked at a protein-protein interface. Results were compared to experimental vibrational absorption energy measurements of the nitrile oscillator. We examined three methods for selecting explicit water molecules: (1) all water molecules within 5 Å of the nitrile nitrogen; (2) the water molecule closest to the nitrile nitrogen; and (3) any single water molecule hydrogen-bonding to the nitrile. The correlation between absolute field strengths with experimental absorption energies were calculated and it was observed that method 1 was only an improvement for the monomer calculations, while methods 2 and 3 were not significantly different from the purely implicit solvent calculations for all protein systems examined. Upon taking the difference in calculated electrostatic fields and comparing to the difference in absorption frequencies, we typically observed an increase in experimental correlation for all methods, with method 1 showing the largest gain, likely due to the improved absolute monomer correlations using that method. These results suggest that, unlike with quantum mechanical methods, when calculating absolute fields using entirely classical models, implicit solvent is typically sufficient and additional work to identify hydrogen-bonding or nearest waters does not significantly impact the results. Although we observed that a sphere of solvent near the field of interest improved results for relative field calculations, it should not be consider a panacea for all situations. PMID:24446740

  4. 27 CFR 24.147 - Operations bond or unit bond.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Operations bond or unit bond. 24.147 Section 24.147 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS WINE Establishment and Operations Bonds and Consents of Surety § 24.147 Operations bond or unit...

  5. Introduction to Dynamical Systems and Geometric Mechanics

    NASA Astrophysics Data System (ADS)

    Maruskin, Jared M.

    2012-01-01

    Introduction to Dynamical Systems and Geometric Mechanics provides a comprehensive tour of two fields that are intimately entwined: dynamical systems is the study of the behavior of physical systems that may be described by a set of nonlinear first-order ordinary differential equations in Euclidean space, whereas geometric mechanics explores similar systems that instead evolve on differentiable manifolds. In the study of geometric mechanics, however, additional geometric structures are often present, since such systems arise from the laws of nature that govern the motions of particles, bodies, and even galaxies. In the first part of the text, we discuss linearization and stability of trajectories and fixed points, invariant manifold theory, periodic orbits, Poincaré maps, Floquet theory, the Poincaré-Bendixson theorem, bifurcations, and chaos. The second part of the text begins with a self-contained chapter on differential geometry that introduces notions of manifolds, mappings, vector fields, the Jacobi-Lie bracket, and differential forms. The final chapters cover Lagrangian and Hamiltonian mechanics from a modern geometric perspective, mechanics on Lie groups, and nonholonomic mechanics via both moving frames and fiber bundle decompositions. The text can be reasonably digested in a single-semester introductory graduate-level course. Each chapter concludes with an application that can serve as a springboard project for further investigation or in-class discussion.

  6. Morphing of geometric composites via residual swelling.

    PubMed

    Pezzulla, Matteo; Shillig, Steven A; Nardinocchi, Paola; Holmes, Douglas P

    2015-08-01

    Understanding and controlling the shape of thin, soft objects has been the focus of significant research efforts among physicists, biologists, and engineers in the last decade. These studies aim to utilize advanced materials in novel, adaptive ways such as fabricating smart actuators or mimicking living tissues. Here, we present the controlled growth-like morphing of 2D sheets into 3D shapes by preparing geometric composite structures that deform by residual swelling. The morphing of these geometric composites is dictated by both swelling and geometry, with diffusion controlling the swelling-induced actuation, and geometric confinement dictating the structure's deformed shape. Building on a simple mechanical analog, we present an analytical model that quantitatively describes how the Gaussian and mean curvatures of a thin disk are affected by the interplay among geometry, mechanics, and swelling. This model is in excellent agreement with our experiments and numerics. We show that the dynamics of residual swelling is dictated by a competition between two characteristic diffusive length scales governed by geometry. Our results provide the first 2D analog of Timoshenko's classical formula for the thermal bending of bimetallic beams - our generalization explains how the Gaussian curvature of a 2D geometric composite is affected by geometry and elasticity. The understanding conferred by these results suggests that the controlled shaping of geometric composites may provide a simple complement to traditional manufacturing techniques. PMID:26076671

  7. Unifying Geometrical Representations of Gauge Theory

    NASA Astrophysics Data System (ADS)

    Alsid, Scott; Serna, Mario

    2015-01-01

    We unify three approaches within the vast body of gauge-theory research that have independently developed distinct representations of a geometrical surface-like structure underlying the vector-potential. The three approaches that we unify are: those who use the compactified dimensions of Kaluza-Klein theory, those who use Grassmannian models (also called gauge theory embedding or models) to represent gauge fields, and those who use a hidden spatial metric to replace the gauge fields. In this paper we identify a correspondence between the geometrical representations of the three schools. Each school was mostly independently developed, does not compete with other schools, and attempts to isolate the gauge-invariant geometrical surface-like structures that are responsible for the resulting physics. By providing a mapping between geometrical representations, we hope physicists can now isolate representation-dependent physics from gauge-invariant physical results and share results between each school. We provide visual examples of the geometrical relationships between each school for electric and magnetic fields. We highlight a first new result: in all three representations a static electric field (electric field from a fixed ring of charge or a sphere of charge) has a hidden gauge-invariant time dependent surface that is underlying the vector potential.

  8. Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid water.

    PubMed

    Houriez, Céline; Masella, Michel; Ferré, Nicolas

    2010-09-28

    In this study, we investigated the hydrogen-bond network patterns involving the NO moieties of five small nitroxides in liquid water by analyzing nanosecond scale molecular dynamics trajectories. To this end, we implemented two types of hydrogen-bond definitions, based on electronic structure, using Bader's atoms-in-molecules analysis and based on geometric criteria. In each definition framework, the nitroxide/water hydrogen-bond networks appear very variable from a nitroxide to another. Moreover, each definition clearly leads to a different picture of nitroxide hydration. For instance, the electronic structure-based definition predicts a number of hydrogen bonds around the nitroxide NO moiety usually larger than geometric structure-based ones. One particularly interesting result is that the strength of a nitroxide/water hydrogen bond does not depend on its linearity, leading us to question the relevance of geometric definition based on angular cutoffs to study this type of hydrogen bond. Moreover, none of the hydrogen-bond definitions we consider in the present study is able to quantitatively correlate the strength of nitroxide/water hydrogen-bond networks with the aqueous nitroxide spin properties. This clearly exhibits that the hydrogen-bonding concept is not reliable enough to draw quantitative conclusions concerning such properties. PMID:20886951

  9. Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid water

    NASA Astrophysics Data System (ADS)

    Houriez, Céline; Masella, Michel; Ferré, Nicolas

    2010-09-01

    In this study, we investigated the hydrogen-bond network patterns involving the NO moieties of five small nitroxides in liquid water by analyzing nanosecond scale molecular dynamics trajectories. To this end, we implemented two types of hydrogen-bond definitions, based on electronic structure, using Bader's atoms-in-molecules analysis and based on geometric criteria. In each definition framework, the nitroxide/water hydrogen-bond networks appear very variable from a nitroxide to another. Moreover, each definition clearly leads to a different picture of nitroxide hydration. For instance, the electronic structure-based definition predicts a number of hydrogen bonds around the nitroxide NO moiety usually larger than geometric structure-based ones. One particularly interesting result is that the strength of a nitroxide/water hydrogen bond does not depend on its linearity, leading us to question the relevance of geometric definition based on angular cutoffs to study this type of hydrogen bond. Moreover, none of the hydrogen-bond definitions we consider in the present study is able to quantitatively correlate the strength of nitroxide/water hydrogen-bond networks with the aqueous nitroxide spin properties. This clearly exhibits that the hydrogen-bonding concept is not reliable enough to draw quantitative conclusions concerning such properties.

  10. Fluxless eutectic bonding of GaAs-on-Si by using Ag/Sn solder

    NASA Astrophysics Data System (ADS)

    Eo, Sung-Hwa; Kim, Dae-Seon; Jeong, Ho-Jung; Jang, Jae-Hyung

    2013-11-01

    Fluxless GaAs-on-Si wafer bonding using Ag/Sn solder was investigated to realize uniform and void-free heterogeneous material integration. The effects of the diffusion barrier, Ag/Sn thickness, and Ar plasma treatment were studied to achieve the optimal fluxless bonding process. Pt on a GaAs wafer and Mo on a Si wafer act as diffusion barriers by preventing the flow of Ag/Sn solder into both the wafers. The bonding strength is closely related to the Ag/Sn thickness and Ar plasma treatment. A shear strength test was carried out to investigate the bonding strength. Under identical bonding conditions, the Ag/Sn thickness was optimized to achieve higher bonding strength and to avoid the formation of voids due to thermal stress. An Ar plasma pretreatment process improved the bonding strength because the Ar plasma removed carbon contaminants and metal-oxide bonds from the metal surface.

  11. Strength of Chemical Bonds

    NASA Technical Reports Server (NTRS)

    Christian, Jerry D.

    1973-01-01

    Students are not generally made aware of the extraordinary magnitude of the strengths of chemical bonds in terms of the forces required to pull them apart. Molecular bonds are usually considered in terms of the energies required to break them, and we are not astonished at the values encountered. For example, the Cl2 bond energy, 57.00 kcal/mole, amounts to only 9.46 x 10(sup -20) cal/molecule, a very small amount of energy, indeed, and impossible to measure directly. However, the forces involved in realizing the energy when breaking the bond operate over a very small distance, only 2.94 A, and, thus, f(sub ave) approx. equals De/(r - r(sub e)) must be very large. The forces involved in dissociating the molecule are discussed in the following. In consideration of average forces, the molecule shall be assumed arbitrarily to be dissociated when the atoms are far enough separated so that the potential, relative to that of the infinitely separated atoms, is reduced by 99.5% from the potential of the molecule at the equilibrium bond length (r(sub e)) for Cl2 of 1.988 A this occurs at 4.928 A.

  12. Asymmetric bifurcated halogen bonds.

    PubMed

    Novák, Martin; Foroutan-Nejad, Cina; Marek, Radek

    2015-03-01

    Halogen bonding (XB) is being extensively explored for its potential use in advanced materials and drug design. Despite significant progress in describing this interaction by theoretical and experimental methods, the chemical nature remains somewhat elusive, and it seems to vary with the selected system. In this work we present a detailed DFT analysis of three-center asymmetric halogen bond (XB) formed between dihalogen molecules and variously 4-substituted 1,2-dimethoxybenzene. The energy decomposition, orbital, and electron density analyses suggest that the contribution of electrostatic stabilization is comparable with that of non-electrostatic factors. Both terms increase parallel with increasing negative charge of the electron donor molecule in our model systems. Depending on the orientation of the dihalogen molecules, this bifurcated interaction may be classified as 'σ-hole - lone pair' or 'σ-hole - π' halogen bonds. Arrangement of the XB investigated here deviates significantly from a recent IUPAC definition of XB and, in analogy to the hydrogen bonding, the term bifurcated halogen bond (BXB) seems to be appropriate for this type of interaction. PMID:25656525

  13. Physical understanding through variational reasoning: electron sharing and covalent bonding.

    PubMed

    Ruedenberg, Klaus; Schmidt, Michael W

    2009-03-12

    Energy changes of stationary states resulting from geometric parameter changes in the Hamiltonian can be understood by variational reasoning in terms of the physical attributes of the kinetic and the potential energy functionals. In atoms as well as molecules, the energy minimization determines the ground state as the optimal compromise between the potential pull of the nuclear attractions and the localization-resisting kinetic pressure of the electron cloud. This variational competition is analyzed for the exact ab initio ground-state wave function of the hydrogen molecule ion to elucidate the formation of the bond. Its electronic wave function is shown to differ from the ground-state wave function of the hydrogen atom by polarization, sharing, and contraction, and the corresponding contributions to the binding energy are examined in detail. All told, the critical feature is that a molecular orbital, contracting (in the variational context) toward two nuclei simultaneously, can lower its potential energy while maintaining a certain degree of delocalization. As a consequence, its kinetic energy functional has a lower value than that of an orbital contracting toward a single nucleus equally closely. By contrast, the potential energy functional is lowered equally effectively whether the orbital contracts toward one nucleus or simultaneously toward two nuclei. Because of this weaker kinetic energy pressure, the electrostatic potential pull of the nuclei in the molecule is able to attach the orbital more tightly to each of the nuclei than the pull of the single nucleus in the atom is able to do. The role of the virial theorem is clarified. Generalizations to other molecules are discussed. PMID:19228050

  14. The geometric phase controls ultracold chemistry.

    PubMed

    Kendrick, B K; Hazra, Jisha; Balakrishnan, N

    2015-01-01

    The geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born-Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O+OH→H+O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity. PMID:26224326

  15. Quantification of Osteon Morphology Using Geometric Histomorphometrics.

    PubMed

    Dillon, Scott; Cunningham, Craig; Felts, Paul

    2016-03-01

    Many histological methods in forensic anthropology utilize combinations of traditional histomorphometric parameters which may not accurately describe the morphology of microstructural features. Here, we report the novel application of a geometric morphometric method suitable when considering structures without anatomically homologous landmarks for the quantification of complete secondary osteon size and morphology. The method is tested for its suitability in the measurement of intact secondary osteons using osteons digitized from transverse femoral diaphyseal sections prepared from two human individuals. The results of methodological testing demonstrate the efficacy of the technique when applied to intact secondary osteons. In providing accurate characterization of micromorphology within the robust mathematical framework of geometric morphometrics, this method may surpass traditional histomorphometric variables currently employed in forensic research and practice. A preliminary study of the intersectional histomorphometric variation within the femoral diaphysis is made using this geometric histomorphometric method to demonstrate its potential. PMID:26478136

  16. The Geometric Phase of Stock Trading.

    PubMed

    Altafini, Claudio

    2016-01-01

    Geometric phases describe how in a continuous-time dynamical system the displacement of a variable (called phase variable) can be related to other variables (shape variables) undergoing a cyclic motion, according to an area rule. The aim of this paper is to show that geometric phases can exist also for discrete-time systems, and even when the cycles in shape space have zero area. A context in which this principle can be applied is stock trading. A zero-area cycle in shape space represents the type of trading operations normally carried out by high-frequency traders (entering and exiting a position on a fast time-scale), while the phase variable represents the cash balance of a trader. Under the assumption that trading impacts stock prices, even zero-area cyclic trading operations can induce geometric phases, i.e., profits or losses, without affecting the stock quote. PMID:27556642

  17. Detection of geometric phases in superconducting nanocircuits

    NASA Astrophysics Data System (ADS)

    Falci, Giuseppe; Fazio, Rosario; Palma, G. Massimo; Siewert, Jens; Vedral, Vlatko

    2000-09-01

    When a quantum-mechanical system undergoes an adiabatic cyclic evolution, it acquires a geometrical phase factor in addition to the dynamical one; this effect has been demonstrated in a variety of microscopic systems. Advances in nanotechnology should enable the laws of quantum dynamics to be tested at the macroscopic level, by providing controllable artificial two-level systems (for example, in quantum dots and superconducting devices). Here we propose an experimental method to detect geometric phases in a superconducting device. The setup is a Josephson junction nanocircuit consisting of a superconducting electron box. We discuss how interferometry based on geometrical phases may be realized, and show how the effect may be applied to the design of gates for quantum computation.

  18. The geometric phase controls ultracold chemistry

    PubMed Central

    Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

    2015-01-01

    The geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born–Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O+OH→H+O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity. PMID:26224326

  19. New developments on the geometric nonholonomic integrator

    NASA Astrophysics Data System (ADS)

    Ferraro, Sebastián; Jiménez, Fernando; Martín de Diego, David

    2015-04-01

    In this paper, we will discuss new developments regarding the geometric nonholonomic integrator (GNI) (Ferraro et al 2008 Nonlinearity 21 1911-28 Ferraro et al 2009 Discrete Contin. Dyn. Syst. (Suppl.) 220-9). GNI is a discretization scheme adapted to nonholonomic mechanical systems through a discrete geometric approach. This method was designed to account for some of the special geometric structures associated to a nonholonomic motion, like preservation of energy, preservation of constraints or the nonholonomic momentum equation. First, we study the GNI versions of the symplectic-Euler methods, paying special attention to their convergence behaviour. Then, we construct an extension of the GNI in the case of affine constraints. Finally, we generalize the proposed method to nonholonomic reduced systems, an important subclass of examples in nonholonomic dynamics. We illustrate the behaviour of the proposed method with the example of the inhomogeneous sphere rolling without slipping on a table.

  20. The Geometric Phase of Stock Trading

    PubMed Central

    2016-01-01

    Geometric phases describe how in a continuous-time dynamical system the displacement of a variable (called phase variable) can be related to other variables (shape variables) undergoing a cyclic motion, according to an area rule. The aim of this paper is to show that geometric phases can exist also for discrete-time systems, and even when the cycles in shape space have zero area. A context in which this principle can be applied is stock trading. A zero-area cycle in shape space represents the type of trading operations normally carried out by high-frequency traders (entering and exiting a position on a fast time-scale), while the phase variable represents the cash balance of a trader. Under the assumption that trading impacts stock prices, even zero-area cyclic trading operations can induce geometric phases, i.e., profits or losses, without affecting the stock quote. PMID:27556642

  1. The geometric phase controls ultracold chemistry

    NASA Astrophysics Data System (ADS)

    Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

    2015-07-01

    The geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born-Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O+OH-->H+O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.

  2. The geometric phase controls ultracold chemistry

    SciTech Connect

    Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

    2015-07-30

    In this study, the geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born–Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O + OH → H + O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.

  3. Geometric spin echo under zero field

    PubMed Central

    Sekiguchi, Yuhei; Komura, Yusuke; Mishima, Shota; Tanaka, Touta; Niikura, Naeko; Kosaka, Hideo

    2016-01-01

    Spin echo is a fundamental tool for quantum registers and biomedical imaging. It is believed that a strong magnetic field is needed for the spin echo to provide long memory and high resolution, since a degenerate spin cannot be controlled or addressed under a zero magnetic field. While a degenerate spin is never subject to dynamic control, it is still subject to geometric control. Here we show the spin echo of a degenerate spin subsystem, which is geometrically controlled via a mediating state split by the crystal field, in a nitrogen vacancy centre in diamond. The demonstration reveals that the degenerate spin is protected by inherent symmetry breaking called zero-field splitting. The geometric spin echo under zero field provides an ideal way to maintain the coherence without any dynamics, thus opening the way to pseudo-static quantum random access memory and non-invasive biosensors. PMID:27193936

  4. Overview on METEOSAT geometrical image data processing

    NASA Technical Reports Server (NTRS)

    Diekmann, Frank J.

    1994-01-01

    Digital Images acquired from the geostationary METEOSAT satellites are processed and disseminated at ESA's European Space Operations Centre in Darmstadt, Germany. Their scientific value is mainly dependent on their radiometric quality and geometric stability. This paper will give an overview on the image processing activities performed at ESOC, concentrating on the geometrical restoration and quality evaluation. The performance of the rectification process for the various satellites over the past years will be presented and the impacts of external events as for instance the Pinatubo eruption in 1991 will be explained. Special developments both in hard and software, necessary to cope with demanding tasks as new image resampling or to correct for spacecraft anomalies, are presented as well. The rotating lens of MET-5 causing severe geometrical image distortions is an example for the latter.

  5. Geometric spin echo under zero field.

    PubMed

    Sekiguchi, Yuhei; Komura, Yusuke; Mishima, Shota; Tanaka, Touta; Niikura, Naeko; Kosaka, Hideo

    2016-01-01

    Spin echo is a fundamental tool for quantum registers and biomedical imaging. It is believed that a strong magnetic field is needed for the spin echo to provide long memory and high resolution, since a degenerate spin cannot be controlled or addressed under a zero magnetic field. While a degenerate spin is never subject to dynamic control, it is still subject to geometric control. Here we show the spin echo of a degenerate spin subsystem, which is geometrically controlled via a mediating state split by the crystal field, in a nitrogen vacancy centre in diamond. The demonstration reveals that the degenerate spin is protected by inherent symmetry breaking called zero-field splitting. The geometric spin echo under zero field provides an ideal way to maintain the coherence without any dynamics, thus opening the way to pseudo-static quantum random access memory and non-invasive biosensors. PMID:27193936

  6. Gender recognition based on face geometric features

    NASA Astrophysics Data System (ADS)

    Xiao, Jie; Guo, Zhaoli; Cai, Chao

    2013-10-01

    Automatic gender recognition based on face images plays an important role in computer vision and machine vision. In this paper, a novel and simple gender recognition method based on face geometric features is proposed. The method is divided in three steps. Firstly, Pre-processing step provides standard face images for feature extraction. Secondly, Active Shape Model (ASM) is used to extract geometric features in frontal face images. Thirdly, Adaboost classifier is chosen to separate the two classes (male and female). We tested it on 2570 pictures (1420 males and 1150 females) downloaded from the internet, and encouraging results were acquired. The comparison of the proposed geometric feature based method and the full facial image based method demonstrats its superiority.

  7. Geometric spin echo under zero field

    NASA Astrophysics Data System (ADS)

    Sekiguchi, Yuhei; Komura, Yusuke; Mishima, Shota; Tanaka, Touta; Niikura, Naeko; Kosaka, Hideo

    2016-05-01

    Spin echo is a fundamental tool for quantum registers and biomedical imaging. It is believed that a strong magnetic field is needed for the spin echo to provide long memory and high resolution, since a degenerate spin cannot be controlled or addressed under a zero magnetic field. While a degenerate spin is never subject to dynamic control, it is still subject to geometric control. Here we show the spin echo of a degenerate spin subsystem, which is geometrically controlled via a mediating state split by the crystal field, in a nitrogen vacancy centre in diamond. The demonstration reveals that the degenerate spin is protected by inherent symmetry breaking called zero-field splitting. The geometric spin echo under zero field provides an ideal way to maintain the coherence without any dynamics, thus opening the way to pseudo-static quantum random access memory and non-invasive biosensors.

  8. The effect of photometric and geometric context on photometric and geometric lightness effects

    PubMed Central

    Lee, Thomas Y.; Brainard, David H.

    2014-01-01

    We measured the lightness of probe tabs embedded at different orientations in various contextual images presented on a computer-controlled stereo display. Two background context planes met along a horizontal roof-like ridge. Each plane was a graphic rendering of a set of achromatic surfaces with the simulated illumination for each plane controlled independently. Photometric context was varied by changing the difference in simulated illumination intensity between the two background planes. Geometric context was varied by changing the angle between them. We parsed the data into separate photometric effects and geometric effects. For fixed geometry, varying photometric context led to linear changes in both the photometric and geometric effects. Varying geometric context did not produce a statistically reliable change in either the photometric or geometric effects. PMID:24464163

  9. Surface analysis in composite bonding

    NASA Technical Reports Server (NTRS)

    Messick, D. L.; Wightman, J. P.

    1982-01-01

    The role of the interfacial region in determining the bond strength and durability of composite bonds is discussed. The characterization of a variety of carbon fibers including Celion 6000 using both scanning electron microscopy and X-ray photoelectron spectroscopy is discussed. The emphasis is on composite bonding, that is, the adhesive bonding between composites in contrast to fiber-matrix interaction. The primary objective of the research is the characterization of composite surfaces before adhesive bonding and after fracture of bonded specimens. Work done on the analysis of composite samples pretreated in a number of ways prior to bonding is detailed.

  10. Double-bond defect modelling in As-S glasses

    NASA Astrophysics Data System (ADS)

    Boyko, V.; Shpotyuk, O.; Hyla, M.

    2010-11-01

    Ab initio calculations with the RHF/6-311G* basis set are used for geometrical optimization of regular pyramidal and defect quasi-tetrahedral clusters in binary As-S glasses. It is shown that quasi-tetrahedral S=AsS3/2 structural units are impossible as main network-building blocks in these glasses.

  11. Primary School Teacher Candidates' Geometric Habits of Mind

    ERIC Educational Resources Information Center

    Köse, Nilu¨fer Y.; Tanisli, Dilek

    2014-01-01

    Geometric habits of mind are productive ways of thinking that support learning and using geometric concepts. Identifying primary school teacher candidates' geometric habits of mind is important as they affect the development of their future students' geometric thinking. Therefore, this study attempts to determine primary school…

  12. Insulation bonding test system

    NASA Technical Reports Server (NTRS)

    Beggs, J. M.; Johnston, G. D.; Coleman, A. D.; Portwood, J. N.; Saunders, J. M.; Redmon, J. W.; Porter, A. C. (Inventor)

    1984-01-01

    A method and a system for testing the bonding of foam insulation attached to metal is described. The system involves the use of an impacter which has a calibrated load cell mounted on a plunger and a hammer head mounted on the end of the plunger. When the impacter strikes the insulation at a point to be tested, the load cell measures the force of the impact and the precise time interval during which the hammer head is in contact with the insulation. This information is transmitted as an electrical signal to a load cell amplifier where the signal is conditioned and then transmitted to a fast Fourier transform (FFT) analyzer. The FFT analyzer produces energy spectral density curves which are displayed on a video screen. The termination frequency of the energy spectral density curve may be compared with a predetermined empirical scale to determine whether a igh quality bond, good bond, or debond is present at the point of impact.

  13. Scale-invariant geometric random graphs

    NASA Astrophysics Data System (ADS)

    Xie, Zheng; Rogers, Tim

    2016-03-01

    We introduce and analyze a class of growing geometric random graphs that are invariant under rescaling of space and time. Directed connections between nodes are drawn according to influence zones that depend on node position in space and time, mimicking the heterogeneity and increased specialization found in growing networks. Through calculations and numerical simulations we explore the consequences of scale invariance for geometric random graphs generated this way. Our analysis reveals a dichotomy between scale-free and Poisson distributions of in- and out-degree, the existence of a random number of hub nodes, high clustering, and unusual percolation behavior. These properties are similar to those of empirically observed web graphs.

  14. Geometric accuracy in airborne SAR images

    NASA Technical Reports Server (NTRS)

    Blacknell, D.; Quegan, S.; Ward, I. A.; Freeman, A.; Finley, I. P.

    1989-01-01

    Uncorrected across-track motions of a synthetic aperture radar (SAR) platform can cause both a severe loss of azimuthal positioning accuracy in, and defocusing of, the resultant SAR image. It is shown how the results of an autofocus procedure can be incorporated in the azimuth processing to produce a fully focused image that is geometrically accurate in azimuth. Range positioning accuracy is also discussed, leading to a comprehensive treatment of all aspects of geometric accuracy. The system considered is an X-band SAR.

  15. Geometric-phase atom optics and interferometry

    NASA Astrophysics Data System (ADS)

    Zygelman, B.

    2015-10-01

    We illustrate how geometric gauge forces and topological phase effects emerge in atomic and molecular systems without employing assumptions that rely on adiabaticity. We show how geometric magnetism may be harnessed to engineer novel quantum devices including a velocity sieve, a component in mass spectrometers, for neutral atoms. We introduce and outline a possible experimental setup that demonstrates topological interferometry for neutral spin-1/2 systems. For that two-level system, we study the transition from Abelian to non-Abelian behavior and explore its relation to the molecular Aharonov-Bohm effect.

  16. The geometric phase in quantum physics

    SciTech Connect

    Bohm, A.

    1993-03-01

    After an explanatory introduction, a quantum system in a classical time-dependent environment is discussed; an example is a magnetic moment in a classical magnetic field. At first, the general abelian case is discussed in the adiabatic approximation. Then the geometric phase for nonadiabatic change of the environment (Anandan--Aharonov phase) is introduced, and after that general cyclic (nonadiabatic) evolution is discussed. The mathematics of fiber bundles is introduced, and some of its results are used to describe the relation between the adiabatic Berry phase and the geometric phase for general cyclic evolution of a pure state. The discussion is restricted to the abelian, U(1) phase.

  17. Local Geometrical Machinery for Complexity and Control

    NASA Astrophysics Data System (ADS)

    Ivancevic, Vladimir G.; Reid, Darryn J.

    2015-11-01

    In this Chapter, we present local geometrical machinery for studying complexity and control, consisting of dynamics on Kähler manifolds, which combine three geometrical structures-Riemannian, symplectic and complex (Hermitian)-in a mutually compatible way. In other words, every Kähler manifold is simultaneously Riemannian, symplectic and complex (Hermitian). It is well known that Riemannian manifolds represent the stage on which Lagrangian dynamics is set, symplectic manifolds represent the stage for Hamiltonian dynamics, and complex (Hermitian) varieties comprise the stage for quantum dynamics. Therefore, Kähler manifolds represent the richest dynamical stage available where Lagrangian, Hamiltonian, and quantum dynamics all dance together.

  18. Model-based vision using geometric hashing

    NASA Astrophysics Data System (ADS)

    Akerman, Alexander, III; Patton, Ronald

    1991-04-01

    The Geometric Hashing technique developed by the NYU Courant Institute has been applied to various automatic target recognition applications. In particular, I-MATH has extended the hashing algorithm to perform automatic target recognition ofsynthetic aperture radar (SAR) imagery. For this application, the hashing is performed upon the geometric locations of dominant scatterers. In addition to being a robust model-based matching algorithm -- invariant under translation, scale, and 3D rotations of the target -- hashing is of particular utility because it can still perform effective matching when the target is partially obscured. Moreover, hashing is very amenable to a SIMD parallel processing architecture, and thus potentially realtime implementable.

  19. Metallic Adhesion and Bonding

    NASA Technical Reports Server (NTRS)

    Ferrante, J.; Smith, J. R.; Rose, J. H.

    1984-01-01

    Although metallic adhesion has played a central part in much tribological speculation, few quantitative theoretical calculations are available. This is in part because of the difficulties involved in such calculations and in part because the theoretical physics community is not particularly involved with tribology. The calculations currently involved in metallic adhesion are summarized and shown that these can be generalized into a scaled universal relationship. Relationships exist to other types of covalent bonding, such as cohesive, chemisorptive, and molecular bonding. A simple relationship between surface energy and cohesive energy is offered.

  20. Methods and Apparatuses for Signaling with Geometric Constellations in a Raleigh Fading Channel

    NASA Technical Reports Server (NTRS)

    Barsoum, Maged F. (Inventor); Jones, Christopher R. (Inventor)

    2015-01-01

    Communication systems are described that use signal constellations, which have unequally spaced (i.e., `geometrically` shaped) points. In many embodiments, the communication systems use specific geometric constellations that are capacity optimized at a specific SNR (signal to noise ratio). In addition, ranges within which the constellation points of a capacity optimized constellation can be perturbed and are still likely to achieve a given percentage of the optimal capacity increase compared to a constellation that maximizes d (sub min) (i.e. minimum distance between constellations) are also described. Capacity measures that are used in the selection of the location of constellation points include, but are not limited to, parallel decode (PD) capacity and joint capacity.

  1. 29 CFR 2580.412-20 - Use of existing bonds, separate bonds and additional bonding.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... bonding. 2580.412-20 Section 2580.412-20 Labor Regulations Relating to Labor (Continued) EMPLOYEE BENEFITS SECURITY ADMINISTRATION, DEPARTMENT OF LABOR TEMPORARY BONDING RULES UNDER THE EMPLOYEE RETIREMENT INCOME SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules § 2580.412-20 Use of existing...

  2. SHM system using rectangular versus circular piezoceramic for the inspection within the bond of a composite bonded joint

    NASA Astrophysics Data System (ADS)

    Quaegebeur, Nicolas; Micheau, Philippe; Masson, Patrice; Castaings, Michel

    2012-04-01

    A bonded joint between an aluminum plate and CFRP plate (7 plies) is considered using a titanium spar. The bonding is ensured by double sided adhesive that is prone to degradation with aging structures. The problem is to detect the disbond occurring at the CFRP plate/titanium spar interface using guided waves generated by piezoceramic transducers (PZT) bonded on the CFRP plate. The objective of the present work is to optimize the SHM configuration (PZT location, Lamb wave mode, size and shape of the PZT) for pitch and catch measurements within the bond. 1D, 2D and 3D numerical simulations of the instrumented structure were performed to optimize the SHM configuration. It appears that the rectangular shape can ensure a plane wave front within the bond, since the circular shape generates complex wave fronts. For experimental investigation, coupon structure was manufactured with synthetic damages inserted using two hemispherical Teflon tapes between adhesive and titanium spar. The structure was instrumented for inspection within the bond by using rectangular PZT. Experimental validation of propagation characteristics and damage sensitivity are performed using LDV measurement within the bond line. Damage detectability using rectangular piezoceramics in pitch-catch configuration within the bond is validated.

  3. Bonding BisGMA to dentin--a proof of concept for hydrophobic dentin bonding.

    PubMed

    Tay, F R; Pashley, D H; Kapur, R R; Carrilho, M R O; Hur, Y B; Garrett, L V; Tay, K C Y

    2007-11-01

    The use of TEGDMA as a diluent comonomer in the formulation of hydrophobic adhesives for ethanol wet-bonding is a concern, due to its leaching potential, higher water sorption, and bio-incompatibility. This study tested the hypothesis that hydrophobic bonding to acid-etched dentin may be accomplished with the use of ethanol-solvated BisGMA only. Phosphoric-acid-etched, oxalate-occluded, deep coronal dentin bonded under 20 cm water pressure with experimental BisGMA adhesives by ethanol wet-bonding exhibited tensile strengths that were not significantly different from that achieved with OptiBond FL bonded according to the manufacturer-recommended protocol, with similar acid-/base-resistant hybrid layers, resin tags, and nanoleakage distribution. Ethanol replacement of water-saturated dentin produced wider interfibrillar spaces, more extensive shrinkage of the collagen fibrils, and narrower hybrid layers. Experimental BisGMA adhesives provide the proof of concept that relatively hydrophobic resins may be coupled to acid-etched dentin by increasing its hydrophobic characteristics via ethanol replacement. They should be further optimized before clinical application. PMID:17959892

  4. Mechanics of tunable helices and geometric frustration in biomimetic seashells

    NASA Astrophysics Data System (ADS)

    Guo, Qiaohang; Chen, Zi; Li, Wei; Dai, Pinqiang; Ren, Kun; Lin, Junjie; Taber, Larry A.; Chen, Wenzhe

    2014-03-01

    Helical structures are ubiquitous in nature and engineering, ranging from DNA molecules to plant tendrils, from sea snail shells to nanoribbons. While the helical shapes in natural and engineered systems often exhibit nearly uniform radius and pitch, helical shell structures with changing radius and pitch, such as seashells and some plant tendrils, add to the variety of this family of aesthetic beauty. Here we develop a comprehensive theoretical framework for tunable helical morphologies, and report the first biomimetic seashell-like structure resulting from mechanics of geometric frustration. In previous studies, the total potential energy is everywhere minimized when the system achieves equilibrium. In this work, however, the local energy minimization cannot be realized because of the geometric incompatibility, and hence the whole system deforms into a shape with a global energy minimum whereby the energy in each segment may not necessarily be locally optimized. This novel approach can be applied to develop materials and devices of tunable geometries with a range of applications in nano/biotechnology.

  5. Geometrical distortions in two-dimensional gels: applicable correction methods.

    PubMed

    Aittokallio, T; Salmi, J; Nyman, T A; Nevalainen, O S

    2005-02-01

    Two-dimensional electrophoresis (2-DE) provides a rapid means for separating thousands of proteins from cell and tissue samples in one run. Although this powerful research tool has been enthusiastically applied in many fields of biomedical research, accurate analysis and interpretation of the data have provided many challenges. Several analysis steps are needed to convert the large amount of noisy data obtained with 2-DE into reliable and interpretable biological information. The goals of such analysis steps include accurate protein detection and quantification, as well as the identification of differentially expressed proteins between samples run on different gels. To achieve these goals, systematic errors such as geometric distortions between the gels must be corrected by using computer-assisted methods. A wide range of computer software has been developed, but no general consensus exists as standard for 2-DE data analysis protocol. The choice of analysis approach is an important element depending both on the data and on the goals of the experiment. Therefore, basic understanding of the algorithms behind the software is required for optimal results. This review highlights some of the common themes in 2-DE data analysis, including protein spot detection and geometric image warping using both spot- and pixel-based approaches. Several computational strategies are overviewed and their relative merits and potential pitfalls discussed. Finally, we offer our own personal view of future trends and developments in large-scale proteome research. PMID:15652796

  6. Geometrical Tile Design for Complex Neighborhoods

    PubMed Central

    Czeizler, Eugen; Kari, Lila

    2009-01-01

    Recent research has showed that tile systems are one of the most suitable theoretical frameworks for the spatial study and modeling of self-assembly processes, such as the formation of DNA and protein oligomeric structures. A Wang tile is a unit square, with glues on its edges, attaching to other tiles and forming larger and larger structures. Although quite intuitive, the idea of glues placed on the edges of a tile is not always natural for simulating the interactions occurring in some real systems. For example, when considering protein self-assembly, the shape of a protein is the main determinant of its functions and its interactions with other proteins. Our goal is to use geometric tiles, i.e., square tiles with geometrical protrusions on their edges, for simulating tiled paths (zippers) with complex neighborhoods, by ribbons of geometric tiles with simple, local neighborhoods. This paper is a step toward solving the general case of an arbitrary neighborhood, by proposing geometric tile designs that solve the case of a “tall” von Neumann neighborhood, the case of the f-shaped neighborhood, and the case of a 3 × 5 “filled” rectangular neighborhood. The techniques can be combined and generalized to solve the problem in the case of any neighborhood, centered at the tile of reference, and included in a 3 × (2k + 1) rectangle. PMID:19956398

  7. More Meaning from the Geometric Mean.

    ERIC Educational Resources Information Center

    Dorner, Bryan C.

    2003-01-01

    Provides classroom suggestions for combining numerical, algebraic, and geometric techniques with the understanding of a simple method for computing square roots. Historical origins of the method illustrate the debt owed to ancient minds living in what are now India, Pakistan, Iraq, and Egypt. (Author/NB)

  8. Geometric Representations for Discrete Fourier Transforms

    NASA Technical Reports Server (NTRS)

    Cambell, C. W.

    1986-01-01

    Simple geometric representations show symmetry and periodicity of discrete Fourier transforms (DFT's). Help in visualizing requirements for storing and manipulating transform value in computations. Representations useful in any number of dimensions, but particularly in one-, two-, and three-dimensional cases often encountered in practice.

  9. Modern Geometric Algebra: A (Very Incomplete!) Survey

    ERIC Educational Resources Information Center

    Suzuki, Jeff

    2009-01-01

    Geometric algebra is based on two simple ideas. First, the area of a rectangle is equal to the product of the lengths of its sides. Second, if a figure is broken apart into several pieces, the sum of the areas of the pieces equals the area of the original figure. Remarkably, these two ideas provide an elegant way to introduce, connect, and…

  10. Impossible Geometric Constructions: A Calculus Writing Project

    ERIC Educational Resources Information Center

    Awtrey, Chad

    2013-01-01

    This article discusses a writing project that offers students the opportunity to solve one of the most famous geometric problems of Greek antiquity; namely, the impossibility of trisecting the angle [pi]/3. Along the way, students study the history of Greek geometry problems as well as the life and achievements of Carl Friedrich Gauss. Included is…

  11. The geometrical significance of the Laplacian

    NASA Astrophysics Data System (ADS)

    Styer, Daniel F.

    2015-12-01

    The Laplacian operator can be defined, not only as a differential operator, but also through its averaging properties. Such a definition lends geometric significance to the operator: a large Laplacian at a point reflects a "nonconformist" (i.e., different from average) character for the function there. This point of view is used to motivate the wave equation for a drumhead.

  12. Understanding Suomi NPP VIIRS geometric performance

    NASA Astrophysics Data System (ADS)

    Wolfe, R. E.; Lin, G.; Nishihama, M.

    2012-12-01

    The NASA/NOAA Visible Infrared Imager Radiometer Suite (VIIRS) is a key instrument on-board the Suomi National Polar-orbiting Partnership (SNPP) satellite. VIIRS will be used by the science research community to continue long-term measurements of geophysical variables and the by operational community for weather forecasting and disaster relief and other applications. Since the first VIIRS data became available in December 2011, our team has been assessing VIIRS' geometric performance using earth and lunar data. We have measured the sensor's on-orbit spatial response, band-to-band co-registration, and geolocation accuracy and precision. Our geometric performance assessment is an important aspect of the VIIRS sensor data record calibration and validation process. We will discuss VIIRS' geometric performance based on this first year of VIIRS on-orbit data. These results will be compared to the at-launch performance and modeling. Overall, VIIRS' on-orbit geometric performance is very good and matches the pre-launch performance expectations, and so is likely to meet the needs of both the long-term monitoring and operational communities.

  13. If Only Clairaut Had Dynamic Geometric Tools

    ERIC Educational Resources Information Center

    Chang, Hyewon; Reys, Barbara J.

    2013-01-01

    Geometry is a major area of study in middle school mathematics, yet middle school and secondary students have difficulty learning important geometric concepts. This article considers Alexis-Claude Clairaut's approach that emphasizes engaging student curiosity about key ideas and theorems instead of directly teaching theorems before their…

  14. Geometrical tile design for complex neighborhoods.

    PubMed

    Czeizler, Eugen; Kari, Lila

    2009-01-01

    Recent research has showed that tile systems are one of the most suitable theoretical frameworks for the spatial study and modeling of self-assembly processes, such as the formation of DNA and protein oligomeric structures. A Wang tile is a unit square, with glues on its edges, attaching to other tiles and forming larger and larger structures. Although quite intuitive, the idea of glues placed on the edges of a tile is not always natural for simulating the interactions occurring in some real systems. For example, when considering protein self-assembly, the shape of a protein is the main determinant of its functions and its interactions with other proteins. Our goal is to use geometric tiles, i.e., square tiles with geometrical protrusions on their edges, for simulating tiled paths (zippers) with complex neighborhoods, by ribbons of geometric tiles with simple, local neighborhoods. This paper is a step toward solving the general case of an arbitrary neighborhood, by proposing geometric tile designs that solve the case of a "tall" von Neumann neighborhood, the case of the f-shaped neighborhood, and the case of a 3 x 5 "filled" rectangular neighborhood. The techniques can be combined and generalized to solve the problem in the case of any neighborhood, centered at the tile of reference, and included in a 3 x (2k + 1) rectangle. PMID:19956398

  15. Geometric Determinants of Human Spatial Memory

    ERIC Educational Resources Information Center

    Hartley, Tom; Trinkler, Iris; Burgess, Neil

    2004-01-01

    Geometric alterations to the boundaries of a virtual environment were used to investigate the representations underlying human spatial memory. Subjects encountered a cue object in a simple rectangular enclosure, with distant landmarks for orientation. After a brief delay, during which they were removed from the arena, subjects were returned to it…

  16. Generic scalar potentials in geometric scalar gravity

    NASA Astrophysics Data System (ADS)

    Kan, Nahomi; Shiraishi, Kiyoshi

    2016-06-01

    We discuss a generic form of the scalar potential appearing in the geometric scalar theory of gravity. We find the conditions on the potential by considering weak and strong gravity. The modified black hole solutions are obtained for generic potentials and the inverse problems on a black hole and on a spherical body (`pseudo-gravastar') are investigated.

  17. Children's Learning of Geometrical Concepts Through Logo.

    ERIC Educational Resources Information Center

    Noss, Richard

    1987-01-01

    Exploratory study aimed to investigate elements of geometrical concepts that children learn through Logo programing. A test designed to assess three components of length and angle was administered to 84 children who had learned Logo for one year and 92 who had not. Data indicated a positive effect of Logo work on some items, but not all.…

  18. Geometric interpretations for resonances of plasmonic nanoparticles

    NASA Astrophysics Data System (ADS)

    Liu, Wei; Oulton, Rupert F.; Kivshar, Yuri S.

    2015-07-01

    The field of plasmonics can be roughly categorized into two branches: surface plasmon polaritons (SPPs) propagating in waveguides and localized surface plasmons (LSPs) supported by scattering particles. Investigations along these two directions usually employ different approaches, resulting in more or less a dogma that the two branches progress almost independently of each other, with few interactions. Here in this work we interpret LSPs from a Bohr model based geometric perspective relying on SPPs, thus establishing a connection between these two sub-fields. Besides the clear explanations of conventional scattering features of plasmonic nanoparticles, based on this geometric model we further demonstrate other anomalous scattering features (higher order modes supported at lower frequencies, and blueshift of the resonance with increasing particle sizes) and multiple electric resonances of the same order supported at different frequencies, which have been revealed to originate from backward SPP modes and multiple dispersion bands supported in the corresponding plasmonic waveguides, respectively. Inspired by this geometric model, it is also shown that, through solely geometric tuning, the absorption of each LSP resonance can be maximized to reach the single channel absorption limit, provided that the scattering and absorption rates are tuned to be equal.

  19. Genuine vacuum-induced geometric phases

    NASA Astrophysics Data System (ADS)

    Wang, Minghao; Wei, L. F.; Liang, J. Q.

    2015-04-01

    Since a pioneer work on vacuum-induced Berry phase (VIBP) was done by Fuentes-Guridi et al. [Phys. Rev. Lett. 89 (2002) 220404], much attention has been paid to the geometric phase effects of vacuum field. However, all the so-called VIBPs investigated previously are not purely vacuum-induced (i.e. the nonvacuum components of the field are also involved). In this paper, we discuss how to deliver geometric phases from the evolution of a genuine vacuum field in a standard cavity quantum electrodynamics (QED) system. First, we design a cyclic evolution of an atom-field system with the atom being initially prepared at the excited state and the field at the genuine vacuum. Then, we calculate the geometric phases acquired during such a cyclic evolution. It is found that such geometric phases are really induced by an evolution of the genuine vacuum field. Specifically, our generic proposal is demonstrated with both the one- and two-mode Jaynes-Cummings model interactions (JCM).

  20. Reinforcing Geometric Properties with Shapedoku Puzzles

    ERIC Educational Resources Information Center

    Wanko, Jeffrey J.; Nickell, Jennifer V.

    2013-01-01

    Shapedoku is a new type of puzzle that combines logic and spatial reasoning with understanding of basic geometric concepts such as slope, parallelism, perpendicularity, and properties of shapes. Shapedoku can be solved by individuals and, as demonstrated here, can form the basis of a review for geometry students as they create their own. In this…

  1. A graph spectrum based geometric biclustering algorithm.

    PubMed

    Wang, Doris Z; Yan, Hong

    2013-01-21

    Biclustering is capable of performing simultaneous clustering on two dimensions of a data matrix and has many applications in pattern classification. For example, in microarray experiments, a subset of genes is co-expressed in a subset of conditions, and biclustering algorithms can be used to detect the coherent patterns in the data for further analysis of function. In this paper, we present a graph spectrum based geometric biclustering (GSGBC) algorithm. In the geometrical view, biclusters can be seen as different linear geometrical patterns in high dimensional spaces. Based on this, the modified Hough transform is used to find the Hough vector (HV) corresponding to sub-bicluster patterns in 2D spaces. A graph can be built regarding each HV as a node. The graph spectrum is utilized to identify the eigengroups in which the sub-biclusters are grouped naturally to produce larger biclusters. Through a comparative study, we find that the GSGBC achieves as good a result as GBC and outperforms other kinds of biclustering algorithms. Also, compared with the original geometrical biclustering algorithm, it reduces the computing time complexity significantly. We also show that biologically meaningful biclusters can be identified by our method from real microarray gene expression data. PMID:23079285

  2. A Geometric Approach to Fair Division

    ERIC Educational Resources Information Center

    Barbanel, Julius

    2010-01-01

    We wish to divide a cake among some collection of people (who may have very different notions of the comparative value of pieces of cake) in a way that is both "fair" and "efficient." We explore the meaning of these terms, introduce two geometric tools to aid our analysis, and present a proof (due to Dietrich Weller) that establishes the existence…

  3. Van Hiele Levels of Geometric Thought Revisited.

    ERIC Educational Resources Information Center

    Teppo, Anne

    1991-01-01

    Compared are the van Hiele levels of geometric thinking and the geometry curriculum recommended by the National Council of Teachers of Mathematics Curriculum and Evaluation Standards for School Mathematics. Activities which illustrate the various levels are provided by grade level with procedures. (CW)

  4. Geometric Models for Collaborative Search and Filtering

    ERIC Educational Resources Information Center

    Bitton, Ephrat

    2011-01-01

    This dissertation explores the use of geometric and graphical models for a variety of information search and filtering applications. These models serve to provide an intuitive understanding of the problem domains and as well as computational efficiencies to our solution approaches. We begin by considering a search and rescue scenario where both…

  5. Geometric Transformations in Middle School Mathematics Textbooks

    ERIC Educational Resources Information Center

    Zorin, Barbara

    2011-01-01

    This study analyzed treatment of geometric transformations in presently available middle grades (6, 7, 8) student mathematics textbooks. Fourteen textbooks from four widely used textbook series were evaluated: two mainline publisher series, Pearson (Prentice Hall) and Glencoe (Math Connects); one National Science Foundation (NSF) funded curriculum…

  6. Using geometric algebra to study optical aberrations

    SciTech Connect

    Hanlon, J.; Ziock, H.

    1997-05-01

    This paper uses Geometric Algebra (GA) to study vector aberrations in optical systems with square and round pupils. GA is a new way to produce the classical optical aberration spot diagrams on the Gaussian image plane and surfaces near the Gaussian image plane. Spot diagrams of the third, fifth and seventh order aberrations for square and round pupils are developed to illustrate the theory.

  7. Geometric approach to dislocation and disclination theory

    SciTech Connect

    Nesterov, A.I.; Ovchinnikov, S.G.

    1988-05-01

    Cartan structure equations are used to create a four-dimensional geometric description of dislocations in continuum theory. It is shown that the dislocation distribution is determined by the torsion tensor, while the disclination distribution is determined by the curvature tensor. An analogy to electrodynamics is offered.

  8. Geometric interpretations for resonances of plasmonic nanoparticles

    PubMed Central

    Liu, Wei; Oulton, Rupert F.; Kivshar, Yuri S.

    2015-01-01

    The field of plasmonics can be roughly categorized into two branches: surface plasmon polaritons (SPPs) propagating in waveguides and localized surface plasmons (LSPs) supported by scattering particles. Investigations along these two directions usually employ different approaches, resulting in more or less a dogma that the two branches progress almost independently of each other, with few interactions. Here in this work we interpret LSPs from a Bohr model based geometric perspective relying on SPPs, thus establishing a connection between these two sub-fields. Besides the clear explanations of conventional scattering features of plasmonic nanoparticles, based on this geometric model we further demonstrate other anomalous scattering features (higher order modes supported at lower frequencies, and blueshift of the resonance with increasing particle sizes) and multiple electric resonances of the same order supported at different frequencies, which have been revealed to originate from backward SPP modes and multiple dispersion bands supported in the corresponding plasmonic waveguides, respectively. Inspired by this geometric model, it is also shown that, through solely geometric tuning, the absorption of each LSP resonance can be maximized to reach the single channel absorption limit, provided that the scattering and absorption rates are tuned to be equal. PMID:26173797

  9. Pauli spinors and Hestenes' geometric algebra

    NASA Astrophysics Data System (ADS)

    Hamilton, J. Dwayne

    1984-01-01

    Hestenes' geometric algebra and Pauli's two-component spinors are reviewed and are united into a simple mathematical system. The resulting formalism is used to develop a new method for spin 1/2 projection calculations and is also applied to a spin 1/2 electron magnetic resonance problem.

  10. Rejuvenating Allen's Arc with the Geometric Mean.

    ERIC Educational Resources Information Center

    Phillips, William A.

    1994-01-01

    Contends that, despite ongoing criticism, Allen's arc elasticity formula remains entrenched in the microeconomics principles curriculum. Reviews the evolution and continuing scrutiny of the formula. Argues that the use of the geometric mean offers pedagogical advantages over the traditional arithmetic mean approach. (CFR)

  11. Bonding without Tears.

    ERIC Educational Resources Information Center

    Akeroyd, F. Michael

    1982-01-01

    Discusses merits of using sigma-pi model of ethylene as a teaching aid in introductory organic chemistry. The nonmathematical treatment of sigma-pi bonding is then extended to such phenomena as conjugation, hyperconjugation, Markovnikoff addition, aromaticity, and aromatic substitution. (SK)

  12. GRAPHITE BONDING METHOD

    DOEpatents

    King, L.D.P.

    1964-02-25

    A process for bonding or joining graphite members together in which a thin platinum foil is placed between the members, heated in an inert atmosphere to a temperature of 1800 deg C, and then cooled to room temperature is described. (AEC)

  13. Flax Fiber - Interfacial Bonding

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Measured flax fiber physical and chemical properties potentially impact bonding and thus stress transfer between the matrix and fiber within composites. These first attempts at correlating flax fiber quality and biofiber composites contain the initial steps towards identifying key flax fiber charac...

  14. Bonds Between Atoms.

    ERIC Educational Resources Information Center

    Holden, Alan

    The field of inquiry into how atoms are bonded together to form molecules and solids crosses the borderlines between physics and chemistry encompassing methods characteristic of both sciences. At one extreme, the inquiry is pursued with care and rigor into the simplest cases; at the other extreme, suggestions derived from the more careful inquiry…

  15. Photochemical tissue bonding

    DOEpatents

    Redmond, Robert W.; Kochevar, Irene E.

    2012-01-10

    Photochemical tissue bonding methods include the application of a photosensitizer to a tissue and/or tissue graft, followed by irradiation with electromagnetic energy to produce a tissue seal. The methods are useful for tissue adhesion, such as in wound closure, tissue grafting, skin grafting, musculoskeletal tissue repair, ligament or tendon repair and corneal repair.

  16. Athermal fracture of covalent bonds

    SciTech Connect

    Gilman, J.J.

    1999-08-01

    Most fracture is athermal. Either because it occurs at low temperatures or because it occurs too fast for thermal activation to be effective. Thus it must be directly activated by applied stresses. This can occur via quantum tunneling when the chemical bonding of a solid resides in localized (covalent) bonds. Then applied stresses can cause the bonding electrons to become delocalized (anti-bonded) through quantum tunneling. That is, the bonds become broken. The process is related to the Zener tunneling process that is thought to be responsible for dielectric breakdown in semiconductors. Under a driving force, bonding electrons tunnel at constant energy from their bonding states into anti-bonding states through the forbidden gap in the bonding energy spectrum.

  17. A GEOMETRICAL HEIGHT SCALE FOR SUNSPOT PENUMBRAE

    SciTech Connect

    Puschmann, K. G.; Ruiz Cobo, B.; MartInez Pillet, V. E-mail: brc@iac.e

    2010-09-10

    Inversions of spectropolarimetric observations of penumbral filaments deliver the stratification of different physical quantities in an optical depth scale. However, without establishing a geometrical height scale, their three-dimensional geometrical structure cannot be derived. This is crucial in understanding the correct spatial variation of physical properties in the penumbral atmosphere and to provide insights into the mechanism capable of explaining the observed penumbral brightness. The aim of this work is to determine a global geometrical height scale in the penumbra by minimizing the divergence of the magnetic field vector and the deviations from static equilibrium as imposed by a force balance equation that includes pressure gradients, gravity, and the Lorentz force. Optical depth models are derived from the inversion of spectropolarimetric data of an active region observed with the Solar Optical Telescope on board the Hinode satellite. We use a genetic algorithm to determine the boundary condition for the inference of geometrical heights. The retrieved geometrical height scale permits the evaluation of the Wilson depression at each pixel and the correlation of physical quantities at each height. Our results fit into the uncombed penumbral scenario, i.e., a penumbra composed of flux tubes with channeled mass flow and with a weaker and more horizontal magnetic field as compared with the background field. The ascending material is hotter and denser than their surroundings. We do not find evidence of overturning convection or field-free regions in the inner penumbral area analyzed. The penumbral brightness can be explained by the energy transfer of the ascending mass carried by the Evershed flow, if the physical quantities below z = -75 km are extrapolated from the results of the inversion.

  18. Can EPR non-locality be geometrical?

    SciTech Connect

    Ne`eman, Y. |; Botero, A.

    1995-10-01

    The presence in Quantum Mechanics of non-local correlations is one of the two fundamentally non-intuitive features of that theory. The non-local correlations themselves fall into two classes: EPR and Geometrical. The non-local characteristics of the geometrical type are well-understood and are not suspected of possibly generating acausal features, such as faster-than-light propagation of information. This has especially become true since the emergence of a geometrical treatment for the relevant gauge theories, i.e. Fiber Bundle geometry, in which the quantum non-localities are seen to correspond to pure homotopy considerations. This aspect is reviewed in section 2. Contrary-wise, from its very conception, the EPR situation was felt to be paradoxical. It has been suggested that the non-local features of EPR might also derive from geometrical considerations, like all other non-local characteristics of QM. In[7], one of the authors was able to point out several plausibility arguments for this thesis, emphasizing in particular similarities between the non-local correlations provided by any gauge field theory and those required by the preservation of the quantum numbers of the original EPR state-vector, throughout its spatially-extended mode. The derivation was, however, somewhat incomplete, especially because of the apparent difference between, on the one hand, the closed spatial loops arising in the analysis of the geometrical non-localities, from Aharonov-Bohm and Berry phases to magnetic monopoles and instantons, and on the other hand, in the EPR case, the open line drawn by the positions of the two moving decay products of the disintegrating particle. In what follows, the authors endeavor to remove this obstacle and show that as in all other QM non-localities, EPR is somehow related to closed loops, almost involving homotopy considerations. They develop this view in section 3.

  19. Geometric hysteresis of alveolated ductal architecture.

    PubMed

    Kojic, M; Butler, J P; Vlastelica, I; Stojanovic, B; Rankovic, V; Tsuda, A

    2011-11-01

    Low Reynolds number airflow in the pulmonary acinus and aerosol particle kinetics therein are significantly conditioned by the nature of the tidal motion of alveolar duct geometry. At least two components of the ductal structure are known to exhibit stress-strain hysteresis: smooth muscle within the alveolar entrance rings, and surfactant at the air-tissue interface. We hypothesize that the geometric hysteresis of the alveolar duct is largely determined by the interaction of the amount of smooth muscle and connective tissue in ductal rings, septal tissue properties, and surface tension-surface area characteristics of surfactant. To test this hypothesis, we have extended the well-known structural model of the alveolar duct by Wilson and Bachofen (1982, "A Model for Mechanical Structure of the Alveolar Duct," J. Appl. Physiol. 52(4), pp. 1064-1070) by adding realistic elastic and hysteretic properties of (1) the alveolar entrance ring, (2) septal tissue, and (3) surfactant. With realistic values for tissue and surface properties, we conclude that: (1) there is a significant, and underappreciated, amount of geometric hysteresis in alveolar ductal architecture; and (2) the contribution of smooth muscle and surfactant to geometric hysteresis are of opposite senses, tending toward cancellation. Quantitatively, the geometric hysteresis found experimentally by Miki et al. (1993, "Geometric Hysteresis in Pulmonary Surface-to-Volume Ratio during Tidal Breathing," J. Appl. Physiol. 75(4), pp. 1630-1636) is consistent with little or no smooth muscle tone in anesthetized rabbits in control conditions, and with substantial smooth muscle activation following methacholine challenge. The observed local hysteretic boundary motion of the acinar duct would result in irreversible acinar flow fields, which might be important mechanistic contributors to aerosol mixing and deposition deep in the lung. PMID:22168737

  20. New insights into the conformal stability, influence of hydrogen bonding and vibrational analysis of 2,6- and 3,5-Dihydroxyacetophenone - A comparative study

    NASA Astrophysics Data System (ADS)

    Ragavendran, V.; Muthunatesan, S.

    2016-12-01

    The conformal stability of 2,6-Dihydroxyacetophenone (DHAP I) and 3,5-Dihydroxyacetophenone (DHAP II) were investigated using Potential Energy Surface scan studies and B3LYP/6-31G** level Density Functional Theory(DFT) calculations. The experimental (FT-IR and FT-Raman) spectra were recorded in the condensed phase in order to perform detailed vibrational analysis. The optimized geometry and vibrational wavenumbers were determined by using B3LYP/6-31G** level Density Functional Theory calculations. The effect of scaling on the calculated wavenumbers was analyzed by employing unscaled, uniform scaling and selective scaling procedures. A detailed comparative analysis on the effect of hydrogen bonding on the geometry, structural parameters and vibrational wavenumbers has been carried out using the results obtained from PES scan and DFT level calculations. The results from the above studies reveals that, the presence of strong intramolecular hydrogen bond in DHAP I has significantly altered the geometrical parameters and hence the vibrational wavenumbers. The hydrogen bonding in DHAP I is strong enough to make it more stable compared to that of DHAP II.

  1. Differential geometric treewidth estimation in adiabatic quantum computation

    NASA Astrophysics Data System (ADS)

    Wang, Chi; Jonckheere, Edmond; Brun, Todd

    2016-07-01

    The D-Wave adiabatic quantum computing platform is designed to solve a particular class of problems—the Quadratic Unconstrained Binary Optimization (QUBO) problems. Due to the particular "Chimera" physical architecture of the D-Wave chip, the logical problem graph at hand needs an extra process called minor embedding in order to be solvable on the D-Wave architecture. The latter problem is itself NP-hard. In this paper, we propose a novel polynomial-time approximation to the closely related treewidth based on the differential geometric concept of Ollivier-Ricci curvature. The latter runs in polynomial time and thus could significantly reduce the overall complexity of determining whether a QUBO problem is minor embeddable, and thus solvable on the D-Wave architecture.

  2. X-ray CT geometrical calibration via locally linear embedding.

    PubMed

    Chen, Mianyi; Xi, Yan; Cong, Wenxiang; Liu, Baodong; Wei, Biao; Wang, Ge

    2016-03-14

    For X-ray computed tomography (CT), geometric calibration and rigid patient motion compensation are inter-related issues for optimization of image reconstruction quality. Non-calibrated system geometry and patient movement during a CT scan will result in streak-like, blurring and other artifacts in reconstructed images. In this paper, we propose a locally linear embedding based calibration approach to address this challenge under a rigid 2D object assumption and a more general way than what has been reported before. In this method, projections are linearly represented by up-sampled neighbors via locally linear embedding, and CT system parameters are iteratively estimated from projection data themselves. Numerical and experimental studies show that images reconstructed with calibrated parameters are in excellent agreement with the counterparts reconstructed with the true parameters. PMID:27002904

  3. Correlation applied to the recognition of regular geometric figures

    NASA Astrophysics Data System (ADS)

    Lasso, William; Morales, Yaileth; Vega, Fabio; Díaz, Leonardo; Flórez, Daniel; Torres, Cesar

    2013-11-01

    It developed a system capable of recognizing of regular geometric figures, the images are taken by the software automatically through a process of validating the presence of figure to the camera lens, the digitized image is compared with a database that contains previously images captured, to subsequently be recognized and finally identified using sonorous words referring to the name of the figure identified. The contribution of system set out is the fact that the acquisition of data is done in real time and using a spy smart glasses with usb interface offering an system equally optimal but much more economical. This tool may be useful as a possible application for visually impaired people can get information of surrounding environment.

  4. An integrated approach to the synthesis of geometrically non-linear structures

    NASA Technical Reports Server (NTRS)

    Smaoui, H.; Schmit, L. A.

    1988-01-01

    An integrated approach to the minimum weight design of geometrically nonlinear three-dimensional truss structures with geometric imperfections, subject to inequality constraints on static displacements, stresses, local buckling and cross sectional areas, is investigated. The integrated structural synthesis problem involves design and response quantities as independent variables and equilibrium equations, describing the finite element model, as equality constraints. The nonlinear structural analysis and the optimization are thus merged together into a single process. A computer program developed to compute the constraint values and analytical gradients is coupled with a generalized reduced gradient algorithm to solve the integrated problem. Numerical results for a geometrically nonlinear shallow dome example problem are presented for various types of imperfections. Furthermore, it is found that the algorithm is capable of detecting and guarding against system as well as element elastic instability using equilibrium information only, that is, without imposing system and local buckling inequality constraints.

  5. Geometric frustration on a 1/9th site depleted triangular lattice

    NASA Astrophysics Data System (ADS)

    Hopkinson, John; Beck, Jarrett

    2013-03-01

    In the searches both for new spin liquid and spin ice (artificial and macroscopic) candidates, geometrically frustrated two-dimensional spin systems have played a prominent role. Here we present a study of the classical antiferromagnetic Ising (AFI) model on the sorrel net, a 1/9th site depleted and 1/7th bond depleted triangular lattice. The AFI model on this corner-shared triangle net is found to have a large residual entropy per spin S/N = 0 . 48185 +/- 0 . 00008 , indicating the sorrel net is highly geometrically frustrated. Anticipating that it may be difficult to achieve perfect bond depletion, we investigate the physics resulting from turning back on the depleted bonds (J2). We present the phase diagram, analytic expressions for the long range partially ordered ground state spin structure for antiferromagnetic J2 and the short range ordered ground state spin structure for ferromagnetic J2, the magnetic susceptibility and the static structure factor. We briefly comment on the possibility that artificial spin ice on the sorrel lattice could by made, and on a recent report [T. D. Keene et al., Dalton Trans. 40 2983 (2011)] of the creation of a 1/9th depleted cobalt hydroxide oxalate. This work was supported by NSERC (JMH) and NSERC USRA (JJB)

  6. Preoxidation of the Cu layer in direct bonding technology

    NASA Astrophysics Data System (ADS)

    Ning, Honglong; Ma, Jusheng; Huang, Fuxiang; Wang, Yonggang; Li, Qianqian; Li, Xiaoyan

    2003-04-01

    Between the metal melting point and the eutectic temperature of the metal-oxygen, direct bonded copper (DBC) depends on the eutectic composition to join the copper and ceramic. The key of this technology is to import the oxygen to the bonding surface. In this paper, we do some research on the preoxidation law of the copper layer in direct bonding technology, so we can optimize the rang of preoxidation temperature and time. After we investigate the phase diagram of copper-oxygen, by the "conservation of mass" and "level principle", we find there are some relationship between the preoxidation condition and the bonding process, and we offer a experiential formula to help control the bonding process. Finally, we also analyze the interface reaction production between the Cu layer and alumina ceramic, and discuss some possible reasons.

  7. Universal prediction of intramolecular hydrogen bonds in organic crystals.

    PubMed

    Galek, Peter T A; Fábián, László; Allen, Frank H

    2010-04-01

    A complete exploration of intramolecular hydrogen bonds (IHBs) has been undertaken using a combination of statistical analyses of the Cambridge Structural Database and computation of ab initio interaction energies for prototypical hydrogen-bonded fragments. Notable correlations have been revealed between computed energies, hydrogen-bond geometries, donor and acceptor chemistry, and frequencies of occurrence. Significantly, we find that 95% of all observed IHBs correspond to the five-, six- or seven-membered rings. Our method to predict a propensity for hydrogen-bond occurrence in a crystal has been adapted for such IHBs, applying topological and chemical descriptors derived from our findings. In contrast to intermolecular hydrogen bonding, it is found that IHBs can be predicted across the complete chemical landscape from a single optimized probability model, which is presented. Predictivity of 85% has been obtained for generic organic structures, which can exceed 90% for discrete classes of IHB. PMID:20305358

  8. 27 CFR 24.147 - Operations bond or unit bond.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... amended, give an operations bond or unit bond in accordance with the applicable provisions of 27 CFR part... or contiguous distilled spirits plant qualified under 27 CFR part 19 for the production of distilled... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false Operations bond or...

  9. 30 CFR 281.33 - Bonds and bonding requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 281.33 Mineral Resources BUREAU OF OCEAN ENERGY MANAGEMENT, REGULATION, AND ENFORCEMENT, DEPARTMENT OF... a surety or personal bond to guarantee payment of a deferred portion of the bid. Upon the payment of the full amount of the cash bonus bid, the lessee's bond will be released. (b) All bonds to...

  10. 27 CFR 24.147 - Operations bond or unit bond.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... or contiguous distilled spirits plant qualified under 27 CFR part 19 for the production of distilled... amended, give an operations bond or unit bond in accordance with the applicable provisions of 27 CFR part... BUREAU, DEPARTMENT OF THE TREASURY LIQUORS WINE Establishment and Operations Bonds and Consents of...

  11. The Calculation of Accurate Metal-Ligand Bond Energies

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W.; Partridge, Harry, III; Ricca, Alessandra; Arnold, James O. (Technical Monitor)

    1997-01-01

    The optimization of the geometry and calculation of zero-point energies are carried out at the B3LYP level of theory. The bond energies are determined at this level, as well as at the CCSD(T) level using very large basis sets. The successive OH bond energies to the first row transition metal cations are reported. For most systems there has been an experimental determination of the first OH. In general, the CCSD(T) values are in good agreement with experiment. The bonding changes from mostly covalent for the early metals to mostly electrostatic for the late transition metal systems.

  12. Raman and mid-infrared spectroscopic study of geometrically frustrated hydroxyl cobalt halides at room temperature

    NASA Astrophysics Data System (ADS)

    Liu, Xiao-Dong; Meng, Dong-Dong; Hagihala, Masato; Zheng, Xu-Guang; Guo, Qi-Xin

    2011-07-01

    Mid-infrared absorption and Raman spectra of the geometrically frustrated material series, hydroxyl cobalt halides ß-Co2(OH)3Cl and ß-Co2(OH)3Br, are first, to the best of our knowledge, measured at room temperature, to study the corresponding relationship between their vibrational spectral properties and crystal microstructures. Through the comparative analysis of the four spectra we have categorically assigned the OH-related vibration modes of hydroxyl groups in the trimeric hydrogen bond environment (Co3 ≡OH)3 ... Cl/Br, and tentatively suggested vibration modes of O-Co-O, Co-O and Cl/Br-Co-Cl/Br units. These results can also become the basis for analysing their low-temperature spectral properties, which can help to understand the underlying physics of their exotic geometric frustration phenomena around phase transition temperatures.

  13. Where's the Orange? Geometric and Extra-Geometric Influences on English Children's Descriptions of Spatial Locations

    ERIC Educational Resources Information Center

    Richards, Lynn V.; Coventry, Kenny R.; Clibbens, John

    2004-01-01

    The effect of both geometric and extra-geometric factors on children's production of "in" is reported (free-response paradigm). Eighty children across four age groups (means 4;1, 5;5, 6;1, and 7;1) were shown video scenes of puppets placing real objects in various positions with reference to a bowl and a plate. Located objects were placed at three…

  14. Global-Local Finite Element Analysis for Thermo-Mechanical Stresses in Bonded Joints

    NASA Technical Reports Server (NTRS)

    Shkarayev, S.; Madenci, Erdogan; Camarda, C. J.

    1997-01-01

    An analysis of adhesively bonded joints using conventional finite elements does not capture the singular behavior of the stress field in regions where two or three dissimilar materials form a junction with or without free edges. However, these regions are characteristic of the bonded joints and are prone to failure initiation. This study presents a method to capture the singular stress field arising from the geometric and material discontinuities in bonded composites. It is achieved by coupling the local (conventional) elements with global (special) elements whose interpolation functions are constructed from the asymptotic solution.

  15. Theoretical study of the bonding of ammonia, carbon monoxide, and ethylene, to copper atom, dimer, and trimer

    NASA Astrophysics Data System (ADS)

    Fournier, René

    1995-04-01

    Kohn-Sham density functional theory (KS-DFT) calculations were performed for the association complexes Cun-L, with n=1, 2, 3 and L=NH3, CO, and C2H4. Two geometries for Cu2-L are considered; with the ligand bonded to a single copper atom (``atop,'' or A), and with the ligand bonded to both atoms (``bridge,'' or B). In addition to A and B, a third geometry was considered for Cu3-L, with the ligand bonded to all three copper atoms; in each case, no minimum was found for that third geometry. I report fully optimized equilibrium geometries and harmonic frequencies calculated within the local spin density (LSD) approximation for all the bound complexes and estimates of their binding energies obtained with a gradient-corrected exchange-correlation functional. Structure A is the most stable in all cases but, for Cu3CO and Cu3C2H4, structure B is only a few kcal/mol higher in energy. The energetic contribution from the geometrical relaxation of Cu3 ranges from essentially zero (Cu3NH3 B) to 3.4 kcal/mol (Cu3CO B). In agreement with previous calculations on Cun-C2H2 and with experiments, the calculated Cun-L binding energy is found to increase with n for all ligands. Although the bonding mechanism differs among the three ligands, repulsion of a filled ligand orbital with the half-filled 4s orbital of copper (or 4s-derived molecular orbitals of Cu2 and Cu3) always plays an important role and is responsible for the smaller binding energies in the CuL complexes. This repulsion decreases from Cu to Cu2 because of charge accumulation in Cu-Cu midbond region and of the greater polarizability of Cu2. The Cu3L binding energies are larger than those of Cu2L mostly because of the greater involvement of copper 4p orbitals in bonding to the ligand. The ligand vibrational frequency shifts relative to the free molecules are compared to experiment and discussed in relation to the nature of the metal-ligand interaction. In particular, an interesting correlation, between the frequency of

  16. IMPROVED BONDING METHOD

    DOEpatents

    Padgett, E.V. Jr.; Warf, D.H.

    1964-04-28

    An improved process of bonding aluminum to aluminum without fusion by ultrasonic vibrations plus pressure is described. The surfaces to be bonded are coated with an aqueous solution of alkali metal stearate prior to assembling for bonding. (AEC) O H19504 Present information is reviewed on steady state proliferation, differentiation, and maturation of blood cells in mammals. Data are cited from metabolic tracer studies, autoradiographic studies, cytologic studies, studies of hematopoietic response to radiation injuries, and computer analyses of blood cell production. A 3-step model for erythropoiesis and a model for granulocyte kinetics are presented. New approaches to the study of lymphocytopoiesis described include extracorporeal blood irradiation to deplete lymphocytic tissue without direct injury to the formative tissues as a means to study the stressed system, function control, and rates of proliferation. It is pointed out that present knowledge indicates that lymphocytes comprise a mixed family, with diverse life spans, functions, and migration patterns with apparent aimless recycling from modes to lymph to blood to nodes that has not yet been quantitated. Areas of future research are postulated. (70 references.) (C.H.)

  17. Cooperativity in Tetrel Bonds.

    PubMed

    Marín-Luna, Marta; Alkorta, Ibon; Elguero, José

    2016-02-01

    A theoretical study of the cooperativity in linear chains of (H3SiCN)n and (H3SiNC)n complexes connected by tetrel bonds has been carried out by means of MP2 and CCSD(T) computational methods. In all cases, a favorable cooperativity is observed, especially in some of the largest linear chains of (H3SiNC)n, where the effect is so large that the SiH3 group is almost equidistant to the two surrounding CN groups and it becomes planar. In addition, the combination of tetrel bonds with other weak interactions (halogen, chalcogen, pnicogen, triel, beryllium, lithium, and hydrogen bond) has been explored using ternary complexes, (H3SiCN)2:XY and (H3SiNC)2:XY. In all cases, positive cooperativity is obtained, especially in the (H3SiNC)2:ClF and (H3SiNC)2:SHF ternary complexes, where, respectively, halogen and chalcogen shared complexes are formed. PMID:26756083

  18. Geometric modeling for computer aided design

    NASA Technical Reports Server (NTRS)

    Schwing, James L.

    1993-01-01

    Over the past several years, it has been the primary goal of this grant to design and implement software to be used in the conceptual design of aerospace vehicles. The work carried out under this grant was performed jointly with members of the Vehicle Analysis Branch (VAB) of NASA LaRC, Computer Sciences Corp., and Vigyan Corp. This has resulted in the development of several packages and design studies. Primary among these are the interactive geometric modeling tool, the Solid Modeling Aerospace Research Tool (smart), and the integration and execution tools provided by the Environment for Application Software Integration and Execution (EASIE). In addition, it is the purpose of the personnel of this grant to provide consultation in the areas of structural design, algorithm development, and software development and implementation, particularly in the areas of computer aided design, geometric surface representation, and parallel algorithms.

  19. Geometric stability of topological lattice phases

    PubMed Central

    Jackson, T. S.; Möller, Gunnar; Roy, Rahul

    2015-01-01

    The fractional quantum Hall (FQH) effect illustrates the range of novel phenomena which can arise in a topologically ordered state in the presence of strong interactions. The possibility of realizing FQH-like phases in models with strong lattice effects has attracted intense interest as a more experimentally accessible venue for FQH phenomena which calls for more theoretical attention. Here we investigate the physical relevance of previously derived geometric conditions which quantify deviations from the Landau level physics of the FQHE. We conduct extensive numerical many-body simulations on several lattice models, obtaining new theoretical results in the process, and find remarkable correlation between these conditions and the many-body gap. These results indicate which physical factors are most relevant for the stability of FQH-like phases, a paradigm we refer to as the geometric stability hypothesis, and provide easily implementable guidelines for obtaining robust FQH-like phases in numerical or real-world experiments. PMID:26530311

  20. The bouncing ball through a geometrical series

    NASA Astrophysics Data System (ADS)

    Flores, Sergio; Alfaro, Luis L.; Chavez, Juan E.; Bastarrachea, Aztlan; Hurtado, Jazmin

    2008-10-01

    The mathematical representation of the physical situation related to a bouncing ball on the floor is an important understanding difficulty for most of the students during the introductory mechanics and mathematics courses. The research group named Physics and mathematics in context from the University of Ciudad Juarez is concerned about the versatility in the change from a mathematical representation to the own physical context of any problem under a traditional instruction. In this case, the main idea is the association of the physical properties of the bouncing ball situation to the nearest mathematical model based on a geometrical series. The proposal of the cognitive development is based on a geometrical series that shows the time the ball takes to stop. In addition, we show the behavior of the ratio of the consecutive heights during the motion.

  1. A geometric description of human intestine.

    PubMed

    Coşkun, Ihsaniye; Yildiz, Hüseyin; Arslan, Kadri; Yildiz, Bahri

    2007-01-01

    Mathematical models of natural phenomena play a central role in the physical sciences. Moreover, modeling of the organs draws from some beautiful areas of mathematics, such as nonlinear dynamics, multiscale transforms and stability analysis. In this study, a geometric recognition of the separate intestine sections (duodenum, jejunum, ileum, cecum and colon) of the human is presented. The human intestine was considered a tubular shape along a special curve and two male Turkish men were used for the modeling study. The length (cm) and diameter (mm) of the intestines were measured with a digital compass and formulated. These models were compared with their original photographs. It has been concluded that the geometric modeling and experimental work were consistent. These kinds of organ modeling techniques will also profit to medical lecturers to show 3-D figures to their students. PMID:17580658

  2. Precise formation of geometrically focused ion beams

    SciTech Connect

    Davydenko, V.I.; Ivanov, A.A.; Korepanov, S.A.; Kotelnikov, I.A.

    2006-03-15

    Geometrically focused intense neutral beams for plasma diagnostic consist of many elementary beams formed by a multiaperture ion-optical system and aimed at the focal point. In real conditions, some of the elementary beams may have increased angular divergence and/or deviate from the intended direction, thus diminishing the neutral beam density at the focus. Several improvements to the geometrical focusing are considered in the article including flattening of the plasma profile across the emission surface, using of quasi-Pierce electrodes at the beam periphery, and minimizing the deviation of the electrodes from the spherical form. Application of these measures to the neutral beam Russian diagnostic injector developed in Budker Institute of Nuclear Physics allows an increase of neutral beam current density in the focus by {approx}50%.

  3. Geometrical geodesy techniques in Goddard earth models

    NASA Technical Reports Server (NTRS)

    Lerch, F. J.

    1974-01-01

    The method for combining geometrical data with satellite dynamical and gravimetry data for the solution of geopotential and station location parameters is discussed. Geometrical tracking data (simultaneous events) from the global network of BC-4 stations are currently being processed in a solution that will greatly enhance of geodetic world system of stations. Previously the stations in Goddard earth models have been derived only from dynamical tracking data. A linear regression model is formulated from combining the data, based upon the statistical technique of weighted least squares. Reduced normal equations, independent of satellite and instrumental parameters, are derived for the solution of the geodetic parameters. Exterior standards for the evaluation of the solution and for the scale of the earth's figure are discussed.

  4. Advanced Stress, Strain And Geometrical Analysis In Semiconductor Devices

    SciTech Connect

    Neels, Antonia; Dommann, Alex; Niedermann, Philippe; Farub, Claudiu; Kaenel, Hans von

    2010-11-24

    High stresses and defect densities increases the risk of semiconductor device failure. Reliability studies on potential failure sources have an impact on design and are essential to assure the long term functioning of the device. Related to the dramatically smaller volume of semiconductor devices and new bonding techniques on such devices, new methods in testing and qualification are needed. Reliability studies on potential failure sources have an impact on design and are essential to assure the long term functioning of the device. In this paper, the applications of advanced High Resolution X-ray Diffraction (HRXRD) methods in strain, defect and deformation analysis on semiconductor devices are discussed. HRXRD with Rocking Curves (RC's) and Reciprocal Space Maps (RSM's) is used as accurate, non-destructive experimental method to evaluate the crystalline quality, and more precisely for the given samples, the in-situ strain, defects and geometrical parameters such as tilt and bending of device. The combination with advanced FEM simulations gives the possibility to support efficiently semiconductor devices design.

  5. Geometric continuum regularization of quantum field theory

    SciTech Connect

    Halpern, M.B. . Dept. of Physics)

    1989-11-08

    An overview of the continuum regularization program is given. The program is traced from its roots in stochastic quantization, with emphasis on the examples of regularized gauge theory, the regularized general nonlinear sigma model and regularized quantum gravity. In its coordinate-invariant form, the regularization is seen as entirely geometric: only the supermetric on field deformations is regularized, and the prescription provides universal nonperturbative invariant continuum regularization across all quantum field theory. 54 refs.

  6. Broadband Hybrid Holographic Multiplexing with Geometric Metasurfaces.

    PubMed

    Huang, Lingling; Mühlenbernd, Holger; Li, Xiaowei; Song, Xu; Bai, Benfeng; Wang, Yongtian; Zentgraf, Thomas

    2015-11-01

    An effective way for broadband holographic multiplexing based on geometric metasurfaces is demonstrated by the integration of several recording channels into a single device. Each image can be individually addressed with a unique set of parameters, such as circular polarization, position, and angle. Such a technique paves the way for a wide range of applications related to optical patterning, encryption, and information processing. PMID:26398589

  7. Multiphase flow in geometrically simple fracture intersections

    USGS Publications Warehouse

    Basagaoglu, H.; Meakin, P.; Green, C.T.; Mathew, M.

    2006-01-01

    A two-dimensional lattice Boltzmann (LB) model with fluid-fluid and solid-fluid interaction potentials was used to study gravity-driven flow in geometrically simple fracture intersections. Simulated scenarios included fluid dripping from a fracture aperture, two-phase flow through intersecting fractures and thin-film flow on smooth and undulating solid surfaces. Qualitative comparisons with recently published experimental findings indicate that for these scenarios the LB model captured the underlying physics reasonably well.

  8. Geometric Transitions and Dynamical SUSY Breaking

    SciTech Connect

    Aganagic, Mina; Beem, Christopher; Kachru, Shamit; /UC, Berkeley /SLAC

    2007-10-01

    We show that the physics of D-brane theories that exhibit dynamical SUSY breaking due to stringy instanton effects is well captured by geometric transitions, which recast the non-perturbative superpotential as a classical flux superpotential. This allows for simple engineering of Fayet, Polonyi, O'Raifeartaigh, and other canonical models of supersymmetry breaking in which an exponentially small scale of breaking can be understood either as coming from stringy instantons or as arising from the classical dynamics of fluxes.

  9. Average bond energies between boron and elements of the fourth, fifth, sixth, and seventh groups of the periodic table

    NASA Technical Reports Server (NTRS)

    Altshuller, Aubrey P

    1955-01-01

    The average bond energies D(gm)(B-Z) for boron-containing molecules have been calculated by the Pauling geometric-mean equation. These calculated bond energies are compared with the average bond energies D(exp)(B-Z) obtained from experimental data. The higher values of D(exp)(B-Z) in comparison with D(gm)(B-Z) when Z is an element in the fifth, sixth, or seventh periodic group may be attributed to resonance stabilization or double-bond character.

  10. Coulombic Models in Chemical Bonding.

    ERIC Educational Resources Information Center

    Sacks, Lawrence J.

    1986-01-01

    Compares the coulumbic point charge model for hydrogen chloride with the valence bond model. It is not possible to assign either a nonpolar or ionic canonical form of the valence bond model, while the covalent-ionic bond distribution does conform to the point charge model. (JM)

  11. 46 CFR Sec. 10 - Bonds.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...

  12. 46 CFR Sec. 10 - Bonds.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...

  13. 46 CFR Sec. 10 - Bonds.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...

  14. 46 CFR Sec. 10 - Bonds.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...

  15. 46 CFR Sec. 10 - Bonds.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...

  16. Annual Bond Referenda Survey: 1998.

    ERIC Educational Resources Information Center

    New Jersey School Boards Association, Trenton.

    An annual school bond survey for New Jersey reveals that while the state's voters had approved 60 percent of the school bond issues in 1998, the communities clearly could not meet the state's multi- billion dollar construction needs on their own. Further, communities with high property taxes had fewer bond elections and approved less of them than…

  17. Understanding the hydrogen bonds in ionic liquids and their roles in properties and reactions.

    PubMed

    Dong, Kun; Zhang, Suojiang; Wang, Jianji

    2016-05-21

    Ionic liquids (ILs) have many potential applications in the chemical industry. In order to understand ILs, their molecular details have been extensively investigated. Intuitively, electrostatic forces are solely important in ILs. However, experiments and calculations have provided strong evidence for the existence of H-bonds in ILs and their roles in the properties and applications of ILs. As a structure-directing force, H-bonds are responsible for ionic pairing, stacking and self-assembling. Their geometric structure, interaction energy and electronic configuration in the ion-pairs of imidazolium-based ILs and protic ionic liquids (PILs) show a great number of differences compared to conventional H-bonds. In particular, their cooperation with electrostatic, dispersion and π interactions embodies the physical nature of H-bonds in ILs, which anomalously influences their properties, leading to a decrease in their melting points and viscosities and thus fluidizing them. Using ILs as catalysts and solvents, many reactions can be activated by the presence of H-bonds, which reduce the reaction barriers and stabilize the transition states. In the dissolution of lignocellulosic biomass by ILs, H-bonds exhibit a most important role in disrupting the H-bonding network of cellulose and controlling microscopic ordering into domains. In this article, a critical review is presented regarding the structural features of H-bonds in ILs and PILs, the correlation between H-bonds and the properties of ILs, and the roles of H-bonds in typical reactions. PMID:27042709

  18. Vector-based model of elastic bonds for simulation of granular solids.

    PubMed

    Kuzkin, Vitaly A; Asonov, Igor E

    2012-11-01

    A model (further referred to as the V model) for the simulation of granular solids, such as rocks, ceramics, concrete, nanocomposites, and agglomerates, composed of bonded particles (rigid bodies), is proposed. It is assumed that the bonds, usually representing some additional gluelike material connecting particles, cause both forces and torques acting on the particles. Vectors rigidly connected with the particles are used to describe the deformation of a single bond. The expression for potential energy of the bond and corresponding expressions for forces and torques are derived. Formulas connecting parameters of the model with longitudinal, shear, bending, and torsional stiffnesses of the bond are obtained. It is shown that the model makes it possible to describe any values of the bond stiffnesses exactly; that is, the model is applicable for the bonds with arbitrary length/thickness ratio. Two different calibration procedures depending on bond length/thickness ratio are proposed. It is shown that parameters of the model can be chosen so that under small deformations the bond is equivalent to either a Bernoulli-Euler beam or a Timoshenko beam or short cylinder connecting particles. Simple analytical expressions, relating parameters of the V model with geometrical and mechanical characteristics of the bond, are derived. Two simple examples of computer simulation of thin granular structures using the V model are given. PMID:23214773

  19. Vector-based model of elastic bonds for simulation of granular solids

    NASA Astrophysics Data System (ADS)

    Kuzkin, Vitaly A.; Asonov, Igor E.

    2012-11-01

    A model (further referred to as the V model) for the simulation of granular solids, such as rocks, ceramics, concrete, nanocomposites, and agglomerates, composed of bonded particles (rigid bodies), is proposed. It is assumed that the bonds, usually representing some additional gluelike material connecting particles, cause both forces and torques acting on the particles. Vectors rigidly connected with the particles are used to describe the deformation of a single bond. The expression for potential energy of the bond and corresponding expressions for forces and torques are derived. Formulas connecting parameters of the model with longitudinal, shear, bending, and torsional stiffnesses of the bond are obtained. It is shown that the model makes it possible to describe any values of the bond stiffnesses exactly; that is, the model is applicable for the bonds with arbitrary length/thickness ratio. Two different calibration procedures depending on bond length/thickness ratio are proposed. It is shown that parameters of the model can be chosen so that under small deformations the bond is equivalent to either a Bernoulli-Euler beam or a Timoshenko beam or short cylinder connecting particles. Simple analytical expressions, relating parameters of the V model with geometrical and mechanical characteristics of the bond, are derived. Two simple examples of computer simulation of thin granular structures using the V model are given.

  20. Syntactic Approach To Geometric Surface Shell Determination

    NASA Astrophysics Data System (ADS)

    DeGryse, Donald G.; Panton, Dale J.

    1980-12-01

    Autonomous terminal homing of a smart missile requires a stored reference scene of the target for which the missle is destined. The reference scene is produced from stereo source imagery by deriving a three-dimensional model containing cultural structures such as buildings, towers, bridges, and tanks. This model is obtained by the precise matching of cultural features from one image of the stereo pair to the other. In the past, this stereo matching process has relied heavily on local edge operators and a gray scale matching metric. The processing is performed line by line over the imagery and the amount of geometric control is minimal. As a result, the gross structure of the scene is determined but the derived three-dimensional data is noisy, oscillatory, and at times significantly inaccurate. This paper discusses new concepts that are currently being developed to stabilize this geometric reference preparation process. The new concepts involve the use of a structural syntax which will be used as a geometric constraint on automatic stereo matching. The syntax arises from the stereo configuration of the imaging platforms at the time of exposure and the knowledge of how various cultural structures are constructed. The syntax is used to parse a scene in terms of its cultural surfaces and to dictate to the matching process the allowable relative positions and orientations of surface edges in the image planes. Using the syntax, extensive searches using a gray scale matching metric are reduced.

  1. Geometric absorption of electromagnetic angular momentum

    NASA Astrophysics Data System (ADS)

    Konz, C.; Benford, Gregory

    2003-10-01

    Circularly polarized electromagnetic fields carry both energy and angular momentum. We investigate the conditions under which a circularly polarized wave field transfers angular momentum to a perfectly conducting macroscopic object, using exact electromagnetic wave theory in a steady-state calculation. We find that axisymmetric perfect conductors cannot absorb or radiate angular momentum when illuminated. However, any asymmetry allows absorption. A rigorous, steady-state solution of the boundary value problem for the reflection from a perfectly conducting infinite wedge shows that waves convey angular momentum at the edges of asymmetries. Conductors can also radiate angular momentum, so their geometric absorption coefficient for angular momentum can be negative. Such absorption or radiation depends solely on the specific geometry of the conductor. The geometric absorption coefficient can be as high as 0.8, and the coefficient for radiation can be -0.4, larger than typical material absorption coefficients. We apply the results to recent experiments which spun roof-shaped aluminum sheets with polarized microwave beams. Applications of geometric, instead of material, absorption can be quite varied. Though experiments testing these ideas will be simpler at microwavelengths, the ideas work for optical ones as well.

  2. Geometric phase effects in ultracold chemistry

    NASA Astrophysics Data System (ADS)

    Hazra, Jisha; Naduvalath, Balakrishnan; Kendrick, Brian K.

    2016-05-01

    In molecules, the geometric phase, also known as Berry's phase, originates from the adiabatic transport of the electronic wavefunction when the nuclei follow a closed path encircling a conical intersection between two electronic potential energy surfaces. It is demonstrated that the inclusion of the geometric phase has an important effect on ultracold chemical reaction rates. The effect appears in rotationally and vibrationally resolved integral cross sections as well as cross sections summed over all product quantum states. It arises from interference between scattering amplitudes of two reaction pathways: a direct path and a looping path that encircle the conical intersection between the two lowest adiabatic electronic potential energy surfaces. Illustrative results are presented for the O+ OH --> H+ O2 reaction and for hydrogen exchange in H+ H2 and D+HD reactions. It is also qualitatively demonstrated that the geometric phase effect can be modulated by applying an external electric field allowing the possibility of quantum control of chemical reactions in the ultracold regime. This work was supported in part by NSF Grant PHY-1505557 (N.B.) and ARO MURI Grant No. W911NF-12-1-0476 (N.B.).

  3. Landsat-5 bumper-mode geometric correction

    USGS Publications Warehouse

    Storey, J.C.; Choate, Michael J.

    2004-01-01

    The Landsat-5 Thematic Mapper (TM) scan mirror was switched from its primary operating mode to a backup mode in early 2002 in order to overcome internal synchronization problems arising from long-term wear of the scan mirror mechanism. The backup bumper mode of operation removes the constraints on scan start and stop angles enforced in the primary scan angle monitor operating mode, requiring additional geometric calibration effort to monitor the active scan angles. It also eliminates scan timing telemetry used to correct the TM scan geometry. These differences require changes to the geometric correction algorithms used to process TM data. A mathematical model of the scan mirror's behavior when operating in bumper mode was developed. This model includes a set of key timing parameters that characterize the time-varying behavior of the scan mirror bumpers. To simplify the implementation of the bumper-mode model, the bumper timing parameters were recast in terms of the calibration and telemetry data items used to process normal TM imagery. The resulting geometric performance, evaluated over 18 months of bumper-mode operations, though slightly reduced from that achievable in the primary operating mode, is still within the Landsat specifications when the data are processed with the most up-to-date calibration parameters.

  4. Geometric Morphometrics of Rodent Sperm Head Shape

    PubMed Central

    Varea Sánchez, María; Bastir, Markus; Roldan, Eduardo R. S.

    2013-01-01

    Mammalian spermatozoa, particularly those of rodent species, are extremely complex cells and differ greatly in form and dimensions. Thus, characterization of sperm size and, particularly, sperm shape represents a major challenge. No consensus exists on a method to objectively assess size and shape of spermatozoa. In this study we apply the principles of geometric morphometrics to analyze rodent sperm head morphology and compare them with two traditional morphometry methods, that is, measurements of linear dimensions and dimensions-derived parameters calculated using formulae employed in sperm morphometry assessments. Our results show that geometric morphometrics clearly identifies shape differences among rodent spermatozoa. It is also capable of discriminating between size and shape and to analyze these two variables separately. Thus, it provides an accurate method to assess sperm head shape. Furthermore, it can identify which sperm morphology traits differ between species, such as the protrusion or retraction of the base of the head, the orientation and relative position of the site of flagellum insertion, the degree of curvature of the hook, and other distinct anatomical features and appendices. We envisage that the use of geometric morphometrics may have a major impact on future studies focused on the characterization of sperm head formation, diversity of sperm head shape among species (and underlying evolutionary forces), the effects of reprotoxicants on changes in cell shape, and phenotyping of genetically-modified individuals. PMID:24312234

  5. The geometric phase controls ultracold chemistry

    DOE PAGESBeta

    Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

    2015-07-30

    In this study, the geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born–Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O + OH → H + O2more » reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.« less

  6. Geometric prediction structure for multiview video coding

    NASA Astrophysics Data System (ADS)

    Lee, Seok; Wey, Ho-Cheon; Park, Du-Sik

    2010-02-01

    One of the critical issues to successful service of 3D video is how to compress huge amount of multi-view video data efficiently. In this paper, we described about geometric prediction structure for multi-view video coding. By exploiting the geometric relations between each camera pose, we can make prediction pair which maximizes the spatial correlation of each view. To analyze the relationship of each camera pose, we defined the mathematical view center and view distance in 3D space. We calculated virtual center pose by getting mean rotation matrix and mean translation vector. We proposed an algorithm for establishing the geometric prediction structure based on view center and view distance. Using this prediction structure, inter-view prediction is performed to camera pair of maximum spatial correlation. In our prediction structure, we also considered the scalability in coding and transmitting the multi-view videos. Experiments are done using JMVC (Joint Multiview Video Coding) software on MPEG-FTV test sequences. Overall performance of proposed prediction structure is measured in the PSNR and subjective image quality measure such as PSPNR.

  7. A Geometric Theory of Nonlinear Morphoelastic Shells

    NASA Astrophysics Data System (ADS)

    Sadik, Souhayl; Angoshtari, Arzhang; Goriely, Alain; Yavari, Arash

    2016-08-01

    Many thin three-dimensional elastic bodies can be reduced to elastic shells: two-dimensional elastic bodies whose reference shape is not necessarily flat. More generally, morphoelastic shells are elastic shells that can remodel and grow in time. These idealized objects are suitable models for many physical, engineering, and biological systems. Here, we formulate a general geometric theory of nonlinear morphoelastic shells that describes both the evolution of the body shape, viewed as an orientable surface, as well as its intrinsic material properties such as its reference curvatures. In this geometric theory, bulk growth is modeled using an evolving referential configuration for the shell, the so-called material manifold. Geometric quantities attached to the surface, such as the first and second fundamental forms, are obtained from the metric of the three-dimensional body and its evolution. The governing dynamical equations for the body are obtained from variational consideration by assuming that both fundamental forms on the material manifold are dynamical variables in a Lagrangian field theory. In the case where growth can be modeled by a Rayleigh potential, we also obtain the governing equations for growth in the form of kinetic equations coupling the evolution of the first and the second fundamental forms with the state of stress of the shell. We apply these ideas to obtain stress-free growth fields of a planar sheet, the time evolution of a morphoelastic circular cylindrical shell subject to time-dependent internal pressure, and the residual stress of a morphoelastic planar circular shell.

  8. Geometric and electronic structures of corannulene polymers: Ultra narrow graphene ribbons with corrugation and topological defects

    NASA Astrophysics Data System (ADS)

    Narita, Kohei; Okada, Susumu

    2016-04-01

    We used density functional theory to study the geometric and electronic structure of dimerized and one-dimensionally polymerized corannulene as ultra-narrow graphene ribbons with corrugation and topological defects. Our computations reveal that the relative stability and electronic structure of dimerized and polymerized corannulene are sensitive to the intermolecular covalent networks. The energy gap between the highest occupied and lowest unoccupied states of corannulene dimers is narrower than that of isolated corannulene. The corannulene polymers are semiconductors with a direct energy gap of about 1 eV depending on intermolecular bonds. The polymers possess moderate mechanical stiffness having Young's moduli of 200 GPa.

  9. A Micromachined Geometric Moire Interferometric Floating-Element Shear Stress Sensor

    NASA Technical Reports Server (NTRS)

    Horowitz, S.; Chen, T.; Chandrasekaran, V.; Tedjojuwono, K.; Nishida, T.; Cattafesta, L.; Sheplak, M.

    2004-01-01

    This paper presents the development of a floating-element shear stress sensor that permits the direct measurement of skin friction based on geometric Moir interferometry. The sensor was fabricated using an aligned wafer-bond/thin-back process producing optical gratings on the backside of a floating element and on the top surface of the support wafer. Experimental characterization indicates a static sensitivity of 0.26 microns/Pa, a resonant frequency of 1.7 kHz, and a noise floor of 6.2 mPa/(square root)Hz.

  10. Geometrization of the physics with teleparallelism. II. Towards a fully geometric Dirac equation

    NASA Astrophysics Data System (ADS)

    Vargas, José G.; Torr, Douglas G.; Lecompte, Alvaro

    1992-04-01

    In an accompanying paper (I), it is shown that the basic equations of the theory of Lorentzian connections with teleparallelism (TP) acquire standard forms of physical field equations upon removal of the constraints represented by the Bianchi identities. A classical physical theory results that supersedes general relativity and Maxwell-Lorentz electrodynamics if the connection is viewed as Finslerian. The theory also encompasses a short-range, strong, classical interaction. It has, however, an open end, since the source side of the torsion field equation is not geometric. In this paper, Kaehler's partial geometrization of the Dirac equation is taken as a starting point for the development of fully geometric Dirac equations via the correspondence principle given in I. For this purpose, Kaehler's calculus (where the spinors are differential forms) is generalized so that it also applies when the torsion is not zero. The point is then made that the forms can take values in tangent Clifford algebras rather than in tensor algebras. The basic “Eigenschaft” of the Kaehler calculus also is examined from the physical perspective of dimensional analysis. Geometric Dirac equations of great structural simplicity are finally inferred from the standard Dirac equation by using the aforementioned correspondence principle. The realm of application of the Dirac theory is thus enriched in principle, though only at an abstract level at this point: the standard spinors, which are scalar-valued forms in the Kaehler version of that theory, become Clifford-valued. In addition, the geometrization of the Dirac equation implies a geometrization of the Dirac current. When this current is replaced in the field equations for the torsion, the theory of Paper I becomes fully geometric.

  11. On the bond distance in methane

    NASA Technical Reports Server (NTRS)

    Bowen-Jenkins, Philippa; Pettersson, Lars G. M.; Siegbahn, Per; Almloef, Jan; Taylor, Peter R.

    1987-01-01

    The equilibrium bond distance in methane was optimized using coupled-pair functional and contracted CI wave functions, and a Gaussian basis that includes g-type functions on carbon and d-type functions on hydrogen. The resulting bond distance, when corrected for core-valence correlation effects, agrees with the experimental value of 2.052 a(0) to within the experimental uncertainty of 0.002 a(0). The main source of error in the best previous studies, which showed discrepancies with experiment of 0.007 a(0) is shown to be basis set incompleteness. In particular, it is important that the basis set be close to saturation, at least for the lower angular quantum numbers.

  12. On the bond distance in methane

    NASA Technical Reports Server (NTRS)

    Bowen-Jenkins, Philippa; Pettersson, Lars G. M.; Siegbahn, Per; Almlof, Jan; Taylor, Peter R.

    1988-01-01

    The equilibrium bond distance in methane has been optimized using coupled-pair functional and contracted CI wave functions, and a Gaussian basis that includes g-type functions on carbon and d-type functions on hydrogen. The resulting bond distance, when corrected for core-valance correlation effects, agrees with the experimental value of 2.052 a(0) to within the experimental uncertainty of 0.002 a(0). The main source of error in the best previous studies, which showed discrepancies with experiment of 0.007 a(0) is shown to be basis set incompleteness. In particular, it is important that the basis set be close to saturation, at least for the lower angular quantum numbers.

  13. Femtosecond quantum control of molecular bond formation

    PubMed Central

    Nuernberger, Patrick; Wolpert, Daniel; Weiss, Horst; Gerber, Gustav

    2010-01-01

    Ultrafast lasers are versatile tools used in many scientific areas, from welding to eye surgery. They are also used to coherently manipulate light–matter interactions such as chemical reactions, but so far control experiments have concentrated on cleavage or rearrangement of existing molecular bonds. Here we demonstrate the synthesis of several molecular species starting from small reactant molecules in laser-induced catalytic surface reactions, and even the increase of the relative reaction efficiency by feedback-optimized laser pulses. We show that the control mechanism is nontrivial and sensitive to the relative proportion of the reactants. The control experiments open up a pathway towards photocatalysis and are relevant for research in physics, chemistry, and biology where light-induced bond formation is important. PMID:20505117

  14. Effect of quantum nuclear motion on hydrogen bonding

    SciTech Connect

    McKenzie, Ross H. Bekker, Christiaan; Athokpam, Bijyalaxmi; Ramesh, Sai G.

    2014-05-07

    This work considers how the properties of hydrogen bonded complexes, X–H⋯Y, are modified by the quantum motion of the shared proton. Using a simple two-diabatic state model Hamiltonian, the analysis of the symmetric case, where the donor (X) and acceptor (Y) have the same proton affinity, is carried out. For quantitative comparisons, a parametrization specific to the O–H⋯O complexes is used. The vibrational energy levels of the one-dimensional ground state adiabatic potential of the model are used to make quantitative comparisons with a vast body of condensed phase data, spanning a donor-acceptor separation (R) range of about 2.4 − 3.0 Å, i.e., from strong to weak hydrogen bonds. The position of the proton (which determines the X–H bond length) and its longitudinal vibrational frequency, along with the isotope effects in both are described quantitatively. An analysis of the secondary geometric isotope effect, using a simple extension of the two-state model, yields an improved agreement of the predicted variation with R of frequency isotope effects. The role of bending modes is also considered: their quantum effects compete with those of the stretching mode for weak to moderate H-bond strengths. In spite of the economy in the parametrization of the model used, it offers key insights into the defining features of H-bonds, and semi-quantitatively captures several trends.

  15. Design of geometric phase measurement in EAST Tokamak

    NASA Astrophysics Data System (ADS)

    Lan, T.; Liu, H. Q.; Liu, J.; Jie, Y. X.; Wang, Y. L.; Gao, X.; Qin, H.

    2016-07-01

    The optimum scheme for geometric phase measurement in EAST Tokamak is proposed in this paper. The theoretical values of geometric phase for the probe beams of EAST Polarimeter-Interferometer (POINT) system are calculated by path integration in parameter space. Meanwhile, the influences of some controllable parameters on geometric phase are evaluated. The feasibility and challenge of distinguishing geometric effect in the POINT signal are also assessed in detail.

  16. Evolutionary optimization of a Genetically Refined Truss

    NASA Technical Reports Server (NTRS)

    Hull, Patrick V.; Tinker, Michael L.; Dozier, Gerry

    2005-01-01

    Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This paper will present a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: Genetic Algorithms and Differential Evolution to successfully optimize a benchmark structural optimization problem. An non-traditional solution to the benchmark problem is presented in this paper, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

  17. A study of improvements in silicon solar cell efficiency due to various geometrical and doping modifications

    NASA Technical Reports Server (NTRS)

    Dunbar, P. M.; Hauser, J. R.

    1976-01-01

    This paper presents the results of continued studies of silicon solar cell operation and limitations. The objective of this paper is to report on geometrical and doping changes in silicon solar cells which result in predictions of high efficiencies. Efficiencies as high as 20 per cent (uncorrected for metal coverage and ohmic sheet resistance) have been calculated for optimized cells. The conditions required to achieve these efficiency values are discussed.

  18. Analysis of eicosapentaenoic and docosahexaenoic acid geometrical isomers formed during fish oil deodorization.

    PubMed

    Fournier, Véronique; Juanéda, Pierre; Destaillats, Frédéric; Dionisi, Fabiola; Lambelet, Pierre; Sébédio, Jean-Louis; Berdeaux, Olivier

    2006-09-29

    Addition of long-chain polyunsaturated fatty acids (LC-PUFAs) from marine oil into food products implies preliminary refining procedures of the oil which thermal process affects the integrity of LC-PUFAs. Deodorization, the major step involving high temperatures, is a common process used for the refining of edible fats and oils. The present study evaluates the effect of deodorization temperature on the formation of LC-PUFA geometrical isomers. Chemically isomerized eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) were used as reference samples. Fish oil samples have been deodorized at 180, 220 and 250 degrees C for 3 h and pure EPA and DHA fatty acid methyl esters (FAMEs) were chemically isomerized using p-toluenesulfinic acid as catalyst. FAMEs prepared from fish oil were fractionated by reversed-phase high-performance liquid chromatography (RP-HPLC). Geometrical isomers produced by both processes were fractionated by silver-ion thin-layer chromatography (Ag-TLC) and silver-ion high-performance liquid chromatography (Ag-HPLC). The FAME fractions were subsequently analyzed by gas chromatography (GC) on a 100 m highly polar cyanopropylpolysiloxane coated capillary column, CP-Sil 88. Our results show that thermally induced geometrical isomerization appears to be a directed reaction and some ethylenic double bond positions on the hydrocarbon chain are more prone to stereomutation. Only minor changes were observed in the EPA and DHA trans isomers content and distribution after deodorization at 180 degrees C. The analyses of EPA and DHA isomer fractions revealed that it is possible to quantify EPA geometrical isomers by GC using the described conditions. However, we notice that a mono-trans isomer of DHA, formed during both chemical and thermal treatments, co-elute with all-cis DHA. This feature should be taken into consideration for the quantification of DHA geometrical isomers. PMID:16893549

  19. Identifying and Fostering Higher Levels of Geometric Thinking

    ERIC Educational Resources Information Center

    Škrbec, Maja; Cadež, Tatjana Hodnik

    2015-01-01

    Pierre M. Van Hiele created five levels of geometric thinking. We decided to identify the level of geometric thinking in the students in Slovenia, aged 9 to 11 years. The majority of students (60.7%) are at the transition between the zero (visual) level and the first (descriptive) level of geometric thinking. Nearly a third (31.7%) of students is…

  20. Methodology and method and appartus for signaling with capacity optimized constellations

    NASA Technical Reports Server (NTRS)

    Barsoum, Maged F. (Inventor); Jones, Christopher R. (Inventor)

    2012-01-01

    Communication systems are described that use geometrically shaped constellations that have increased capacity compared to conventional constellations operating within a similar SNR band. In several embodiments, the geometrically shaped is optimized based upon a capacity measure such as parallel decoding capacity or joint capacity. In many embodiments, a capacity optimized geometrically shaped constellation can be used to replace a conventional constellation as part of a firmware upgrade to transmitters and receivers within a communication system. In a number of embodiments, the geometrically shaped constellation is optimized for an Additive White Gaussian Noise channel or a fading channel.

  1. Optimization of the geometry of the diphenylamine molecule by semiempirical quantum chemical methods

    SciTech Connect

    Pankratov, A.N.; Mushtakova, S.P.; Gribov, L.A.

    1986-03-01

    Available data on experimental study of the geometry of the diphenylamine molecule (I) in solution and in the crystal are fragmentary and not always reliable. Previously, they did a conformational analysis of molecule I using the atom-atom potential method. In order to refine the geometric parameters found for molecule I, optimization of its geometry is provided in the paper using the CNDO/2, INDO, MINDO/3 methods with the use of programs for the BESM-6 computer which are part of the VIKING program set. The angles of rotation for the phenyl rings relative to the CNC plane, the bond angles C/sub 2/N/sub 7/C/sub 8/ and C/sub 2/N/sub 7/H/sub 19/, and also the dihedral angle H/sub 19/N/sub 7/C/sub 8/C/sub 9/ were subjected to optimization. For any set of values for the indicated parameters, the bond angle C/sub 8/N/sub 7/H/sub 19/ is determined unambiguously. The results of the calculations are evidence that the MINDO/3 method is not suitable for optimization of the geometry for molecules of the indicated series; in particular, it leads to much too high a value for the CNC angles (135.9/sup 0/). The CNDO/2 method reproduces well the real value of the CNC angle (124.1/sup 0/) and confirms the known pyrimidal character of the nitrogen atom, the sum of the bond angles of which proved to be equal to 353.6/sup 0/. The calculation in the INDO approximation successfully gives the basic characteristics of the molecular geometry of (I); according to this approximation, the CNC angle is equal to 123.2/sup 0/, the CNH angles are equal to 118.0 and 118.8/sup 0/, the sum of the angles for the nitrogen atom is 360.0/sup 0/.

  2. Minimizing dose during fluoroscopic tracking through geometric performance feedback

    PubMed Central

    Siddique, S.; Fiume, E.; Jaffray, D. A.

    2011-01-01

    Purpose: There is a growing concern regarding the dose delivered during x-ray fluoroscopy guided procedures, particularly in interventional cardiology and neuroradiology, and in real-time tumor tracking radiotherapy and radiosurgery. Many of these procedures involve long treatment times, and as such, there is cause for concern regarding the dose delivered and the associated radiation related risks. An insufficient dose, however, may convey less geometric information, which may lead to inaccuracy and imprecision in intervention placement. The purpose of this study is to investigate a method for achieving the required tracking uncertainty for a given interventional procedure using minimal dose.Methods: A simple model is used to demonstrate that a relationship exists between imaging dose and tracking uncertainty. A feedback framework is introduced that exploits this relationship to modulate the tube current (and hence the dose) in order to maintain the required uncertainty for a given interventional procedure. This framework is evaluated in the context of a fiducial tracking problem associated with image-guided radiotherapy in the lung. A particle filter algorithm is used to robustly track the fiducial as it traverses through regions of high and low quantum noise. Published motion models are incorporated in a tracking test suite to evaluate the dose-localization performance trade-offs.Results: It is shown that using this framework, the entrance surface exposure can be reduced by up to 28.6% when feedback is employed to operate at a geometric tracking uncertainty of 0.3 mm.Conclusions: The analysis reveals a potentially powerful technique for dynamic optimization of fluoroscopic imaging parameters to control the applied dose by exploiting the trade-off between tracking uncertainty and x-ray exposure per frame. PMID:21776784

  3. Geometric and magnetic properties of Pt clusters supported on graphene: Relativistic density-functional calculations

    NASA Astrophysics Data System (ADS)

    Błoński, Piotr; Hafner, Jürgen

    2011-04-01

    The geometric and magnetic structures of small Ptn clusters (n = 1 - 5) supported on a graphene layer have been investigated using ab initio density functional calculations including spin-orbit coupling. Pt-Pt interactions were found to be much stronger than the Pt-C interactions promoting the binding to the support. As a consequence, the equilibrium structure of the gas-phase clusters is preserved if they are deposited on graphene. However, the clusters bind to graphene only via at most two Pt-C bonds: A Pt2 dumbbell prefers an upright position, the larger clusters are bound to graphene only via one edge of the planar cluster (Pt3 and Pt5) or via two terminal Pt atoms of a bent Pt4 rhombus. Evidently, the strong buckling of the graphene layer induced by the Pt-C bonds prevents the formation of a larger number of cluster-support bonds. As the local spin and orbital magnetic moments are quenched on the Pt atoms forming Pt-C bonds, the magnetic structure of the supported clusters is much more inhomogeneous as in the gas-phase. This leads to noncollinear magnetic structures and a strongly reduced magnetic anisotropy energy.

  4. On homogeneous L-bonds and heterogeneous L-bonds

    NASA Astrophysics Data System (ADS)

    Konecny, Jan; Ojeda-Aciego, Manuel

    2016-02-01

    In this paper, we deal with suitable generalizations of the notion of bond between contexts, as part of the research area of Formal Concept Analysis. We study different generalizations of the notion of bond within the ? -fuzzy setting. Specifically, given a formal context, there are three prototypical pairs of concept-forming operators, and this immediately leads to three possible versions of the notion of bond (so-called homogeneous bond wrt certain pair of concept-forming operators). The first results show a close correspondence between a homogeneous bond between two contexts and certain special types of mappings between the sets of extents (or intents) of the corresponding concept lattices. Later, we introduce the so-called heterogeneous bonds (considering simultaneously two types of concept-forming operators) and generalize the previous relationship to mappings between the sets of extents (or intents) of the corresponding concept lattices.

  5. Silicon carbide wafer bonding by modified surface activated bonding method

    NASA Astrophysics Data System (ADS)

    Suga, Tadatomo; Mu, Fengwen; Fujino, Masahisa; Takahashi, Yoshikazu; Nakazawa, Haruo; Iguchi, Kenichi

    2015-03-01

    4H-SiC wafer bonding has been achieved by the modified surface activated bonding (SAB) method without any chemical-clean treatment and high temperature annealing. Strong bonding between the SiC wafers with tensile strength greater than 32 MPa was demonstrated at room temperature under 5 kN force for 300 s. Almost the entire wafer has been bonded very well except a small peripheral region and few voids. The interface structure was analyzed to verify the bonding mechanism. It was found an amorphous layer existed as an intermediate layer at the interface. After annealing at 1273 K in vacuum for 1 h, the bonding tensile strength was still higher than 32 MPa. The interface changes after annealing were also studied. The results show that the thickness of the amorphous layer was reduced to half after annealing.

  6. Geometric incompatibility in a fault system.

    PubMed Central

    Gabrielov, A; Keilis-Borok, V; Jackson, D D

    1996-01-01

    Interdependence between geometry of a fault system, its kinematics, and seismicity is investigated. Quantitative measure is introduced for inconsistency between a fixed configuration of faults and the slip rates on each fault. This measure, named geometric incompatibility (G), depicts summarily the instability near the fault junctions: their divergence or convergence ("unlocking" or "locking up") and accumulation of stress and deformations. Accordingly, the changes in G are connected with dynamics of seismicity. Apart from geometric incompatibility, we consider deviation K from well-known Saint Venant condition of kinematic compatibility. This deviation depicts summarily unaccounted stress and strain accumulation in the region and/or internal inconsistencies in a reconstruction of block- and fault system (its geometry and movements). The estimates of G and K provide a useful tool for bringing together the data on different types of movement in a fault system. An analog of Stokes formula is found that allows determination of the total values of G and K in a region from the data on its boundary. The phenomenon of geometric incompatibility implies that nucleation of strong earthquakes is to large extent controlled by processes near fault junctions. The junctions that have been locked up may act as transient asperities, and unlocked junctions may act as transient weakest links. Tentative estimates of K and G are made for each end of the Big Bend of the San Andreas fault system in Southern California. Recent strong earthquakes Landers (1992, M = 7.3) and Northridge (1994, M = 6.7) both reduced K but had opposite impact on G: Landers unlocked the area, whereas Northridge locked it up again. Images Fig. 1 Fig. 2 PMID:11607673

  7. Electronic structure theory: Applications and geometrical aspects

    NASA Astrophysics Data System (ADS)

    Coh, Sinisa

    This thesis contains several applications of the first-principles electronic-structure theory with special emphasis in parts of the thesis on the geometrical aspects of the theory. We start by reviewing the basics of the first-principles electronic-structure methods which are then used throughout the thesis. The first application of these methods is on the analysis of the stability and lattice dynamics of alpha- and beta-cristobalite phases of SiO2. We also map the complete low-energy landscape connecting these two structures and give implications on the phase transition in this compound. Next we study a family of Pbnm perovskites that are promising candidates for silicon-compatible high-K dielectrics. We calculate their structure and dielectric response, and compare with experimental results where available. The third application of these methods is to the large isosymmetric reorientation of oxygen octahedra rotation axes in epitaxially strained perovskites. We explain the origin of the peculiar energy landscape topology as a function of epitaxial strain. In the part of the thesis devoted to the geometrical aspects of electronic structure theory, we begin by extending the concept of electronic polarization to a Chern insulators. These insulators are characterized by a non-zero off-diagonal sigma_xy conductivity tensor component, quantized in units of e 2/h. Finally we discuss another geometrical quantity, the Chern-Simons orbital magnetoelectric coupling. We present a first-principles based calculation of this quantity in several compounds, and motivated by recent developments in the theory of topological insulators, we speculate about the existence of "large-theta materials," in which this kind of coupling could be unusually large.

  8. Geometric incompatibility in a fault system.

    PubMed

    Gabrielov, A; Keilis-Borok, V; Jackson, D D

    1996-04-30

    Interdependence between geometry of a fault system, its kinematics, and seismicity is investigated. Quantitative measure is introduced for inconsistency between a fixed configuration of faults and the slip rates on each fault. This measure, named geometric incompatibility (G), depicts summarily the instability near the fault junctions: their divergence or convergence ("unlocking" or "locking up") and accumulation of stress and deformations. Accordingly, the changes in G are connected with dynamics of seismicity. Apart from geometric incompatibility, we consider deviation K from well-known Saint Venant condition of kinematic compatibility. This deviation depicts summarily unaccounted stress and strain accumulation in the region and/or internal inconsistencies in a reconstruction of block- and fault system (its geometry and movements). The estimates of G and K provide a useful tool for bringing together the data on different types of movement in a fault system. An analog of Stokes formula is found that allows determination of the total values of G and K in a region from the data on its boundary. The phenomenon of geometric incompatibility implies that nucleation of strong earthquakes is to large extent controlled by processes near fault junctions. The junctions that have been locked up may act as transient asperities, and unlocked junctions may act as transient weakest links. Tentative estimates of K and G are made for each end of the Big Bend of the San Andreas fault system in Southern California. Recent strong earthquakes Landers (1992, M = 7.3) and Northridge (1994, M = 6.7) both reduced K but had opposite impact on G: Landers unlocked the area, whereas Northridge locked it up again. PMID:11607673

  9. Diffusion bonding of the oxide dispersion strengthened steel PM2000

    NASA Astrophysics Data System (ADS)

    Sittel, Wiebke; Basuki, Widodo W.; Aktaa, Jarir

    2013-11-01

    Ferritic oxide dispersion strengthened (ODS) steels are well suited as structural materials, e.g. for claddings in fission reactors and for plasma facing components in fusion power plants due to their high mechanical and oxidation stability at high temperatures and their high irradiation resistance. PM2000 is an iron based ODS ferritic steel with homogeneously distributed nanometric yttria particles. Melting joining techniques are not suitable for such ODS materials because of the precipitation and agglomeration of the oxide particles and hence the loss of their strengthening effect. Solid state diffusion bonding is thus chosen to join PM2000 and is investigated in this work with a focus on oxide particles. The diffusion bonding process is aided by the computational modeling, including the influence of the ODS particles. For modeling the microstructure stability and the creep behavior of PM2000 at various, diffusion bonding relevant temperatures (50-80% Tm) are investigated. Particle distribution (TEM), strength (tensile test) and toughness (Charpy impact test) obtained at temperatures relevant for bonding serve as input for the prediction of optimal diffusion bonding parameters. The optimally bonded specimens show comparable strength and toughness relative to the base material.

  10. NXY halogen bonds. Comparison with NHY H-bonds and CXY halogen bonds.

    PubMed

    Nepal, Binod; Scheiner, Steve

    2016-07-21

    Quantum calculations examine how the NHY H-bond compares to the equivalent NXY halogen bond, as well as to comparable CH/CX donors. Succinimide and saccharin, and their corresponding halogen-substituted derivatives, are chosen as the prototype NH/NX donors, paired with a wide range of electron donor molecules. The NHY H-bond is weakened if the bridging H is replaced by Cl, and strengthened by I; a Br halogen bond is roughly comparable to a H-bond. The lone pairs of the partner molecule are stronger electron donors than are π-systems. Whereas Coulombic forces represent the largest fraction of the attractive force in the H-bonds, induction energy is magnified in the halogen bonds, surpassing electrostatics in several cases. Mutation of NH/NX to CH/CX weakens the binding energy to roughly half its original value, while also lengthening the intermolecular distances by 0.3-0.8 Å. PMID:27327538

  11. Comparison of Bond in Roll-bonded and Adhesively Bonded Aluminums

    NASA Technical Reports Server (NTRS)

    Schwensfeir, R. J., Jr.; Trenkler, G.; Delagi, R. G.; Forster, J. A.

    1985-01-01

    Lap-shear and peel test measurements of bond strength have been carried out as part of an investigation of roll bonding of 2024 and 7075 aluminum alloys. Shear strengths of the bonded material in the F temper are in the range of 14 to 16 ksi. Corresponding peel strengths are 120 to 130 lb/inch. These values, which are three to five times those reported in the literature for adhesively bonded 2024 and 7075, are a result of the true metallurgical bond achieved. The effects of heat-treating the bonded material are described and the improvements in bond strength discussed relative to the shear strength of the parent material. The significance of the findings for aerospace applications is discussed.

  12. Generalized Geometric Error Correction in Coordinate Measurement

    NASA Astrophysics Data System (ADS)

    Hermann, Gyula

    Software compensation of geometric errors in coordinate measuring is hot subject because it results the decrease of manufacturing costs. The paper gives a summary of the results and achievements of earlier works on the subject. In order to improve these results a method is adapted to capture simultaneously the new coordinate frames in order use exact transformation values at discrete points of the measuring volume. The interpolation techniques published in the literature have the draw back that they could not maintain the orthogonality of the rotational part of the transformation matrices. The paper gives a technique, based on quaternions, which avoid this problem and leads to better results.

  13. Advanced geometric camera calibration for machine vision

    NASA Astrophysics Data System (ADS)

    Vo, Minh; Wang, Zhaoyang; Luu, Long; Ma, Jun

    2011-11-01

    In many machine vision applications, a crucial step is to accurately determine the relation between the image of the object and its physical dimension by performing a calibration process. Over time, various calibration techniques have been developed. Nevertheless, the existing methods cannot satisfy the ever-increasing demands for higher accuracy performance. In this letter, an advanced geometric camera calibration technique which employs a frontal image concept and a hyper-precise control point detection scheme with digital image correlation is presented. Simulation and real experimental results have successfully demonstrated the superior of the proposed technique.

  14. Nonadiabatic fluctuation in the measured geometric phase

    NASA Astrophysics Data System (ADS)

    Ai, Qing; Huo, Wenyi; Long, Gui Lu; Sun, C. P.

    2009-08-01

    We study how the nonadiabatic effect causes the observable fluctuation in the “geometric phase” for a two-level system, which is defined as the experimentally measurable quantity in the adiabatic limit. From the Rabi exact solution to this model, we give a reasonable explanation to the experimental discovery of phase fluctuation in the superconducting circuit system [P. J. Leek, J. M. Fink, A. Blais, R. Bianchetti, M. Göppl, J. M. Gambetta, D. I. Schuster, L. Frunzio, R. J. Schoelkopf, and A. Wallraf, Science 318, 1889 (2007)], which seemed to be regarded as the conventional experimental error.

  15. Evolution equation for geometric quantum correlation measures

    NASA Astrophysics Data System (ADS)

    Hu, Ming-Liang; Fan, Heng

    2015-05-01

    A simple relation is established for the evolution equation of quantum-information-processing protocols such as quantum teleportation, remote state preparation, Bell-inequality violation, and particularly the dynamics of geometric quantum correlation measures. This relation shows that when the system traverses the local quantum channel, various figures of merit of the quantum correlations for different protocols demonstrate a factorization decay behavior for dynamics. We identified the family of quantum states for different kinds of quantum channels under the action of which the relation holds. This relation simplifies the assessment of many quantum tasks.

  16. Toroidal Precession as a Geometric Phase

    SciTech Connect

    J.W. Burby and H. Qin

    2012-09-26

    Toroidal precession is commonly understood as the orbit-averaged toroidal drift of guiding centers in axisymmetric and quasisymmetric configurations. We give a new, more natural description of precession as a geometric phase effect. In particular, we show that the precession angle arises as the holonomy of a guiding center's poloidal trajectory relative to a principal connection. The fact that this description is physically appropriate is borne out with new, manifestly coordinate-independent expressions for the precession angle that apply to all types of orbits in tokamaks and quasisymmetric stellarators alike. We then describe how these expressions may be fruitfully employed in numerical calculations of precession.

  17. Geometrical Aspect of Pinning in Superconducting Material

    NASA Astrophysics Data System (ADS)

    Tanaka, Izumi

    2002-12-01

    We have examined superconducting matter with disclination. The deformed medium is well described geometrically. For flat area, paramagnetic current is very small and diamagnetic current is proportional to the vector potential Aμ(x). As a result, the area exhibits the Meissner effect. On the other hand, for the domain where disclination exists, the domain does not become superconducting. Superconductivity is not maintained on the domain, and the magnetic flux breaks into the domain. When the disclination is enclosed by flat a area (i.e. being superconducting state), the extra paramagnetic current operator causes current only in enclosed domain...

  18. Overview of geometrical room acoustic modeling techniques.

    PubMed

    Savioja, Lauri; Svensson, U Peter

    2015-08-01

    Computerized room acoustics modeling has been practiced for almost 50 years up to date. These modeling techniques play an important role in room acoustic design nowadays, often including auralization, but can also help in the construction of virtual environments for such applications as computer games, cognitive research, and training. This overview describes the main principles, landmarks in the development, and state-of-the-art for techniques that are based on geometrical acoustics principles. A focus is given to their capabilities to model the different aspects of sound propagation: specular vs diffuse reflections, and diffraction. PMID:26328688

  19. The minimal geometric deformation approach extended

    NASA Astrophysics Data System (ADS)

    Casadio, R.; Ovalle, J.; da Rocha, Roldão

    2015-11-01

    The minimal geometric deformation approach was introduced in order to study the exterior spacetime around spherically symmetric self-gravitating systems, such as stars or similar astrophysical objects, in the Randall-Sundrum brane-world framework. A consistent extension of this approach is developed here, which contains modifications of both the time component and the radial component of a spherically symmetric metric. A modified Schwarzschild geometry is obtained as an example of its simplest application, and a new solution that is potentially useful to describe stars in the brane-world is also presented.

  20. Geometrical Wake of a Smooth Flat Collimator

    SciTech Connect

    Stupakov, G.V.; /SLAC

    2011-09-09

    A transverse geometrical wake generated by a beam passing through a smooth flat collimator with a gradually varying gap between the upper and lower walls is considered. Based on generalization of the approach recently developed for a smooth circular taper we reduce the electromagnetic problem of the impedance calculation to the solution of two much simpler static problems - a magnetostatic and an electrostatic ones. The solution shows that in the limit of not very large frequencies, the impedance increases with the ratio h/d where h is the width and d is the distance between the collimating jaws. Numerical results are presented for the NLC Post Linac collimator.