Science.gov

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. Optimizing the geometrical accuracy of curvilinear meshes

    E-print Network

    Toulorge, Thomas; Remacle, Jean-François

    2015-01-01

    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 Haudorff distance between the geometrical model and the mesh. Several examples illustrate the beneficial impact of this method on CFD solutions, with a part...

  3. Water Resource System Optimization by Geometric Programming 

    E-print Network

    Meier, W. L.; Shih, C. S.; Wray, D. J.

    1971-01-01

    water resources optimization problems. This new and potentially powerful technique is called geometric programming. It is one of a class of mathematical programming techniques. Mathematical programming discussed extensively elsewhere [56,23] refers to a...

  4. Optimization in Geometric Graphs: Complexity and Approximation 

    E-print Network

    Kahruman-Anderoglu, Sera

    2011-02-22

    We consider several related problems arising in geometric graphs. In particular, we investigate the computational complexity and approximability properties of several optimization problems in unit ball graphs and develop algorithms to find exact...

  5. 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.

  6. Geometric Sieving: Automated Distributed Optimization of

    E-print Network

    Chen, Brian Y.

    Geometric Sieving: Automated Distributed Optimization of 3D Motifs for Protein Function Prediction of Computer Science, Rice University, Houston, TX, 77005, USA 2 Department of Statistics, Rice University 3 of Bioengineering, Rice University = Equal Contribution. Corresponding author: kavraki@cs.rice.edu Abstract

  7. Optimal Control of Underactuated Mechanical Systems: A Geometric Approach

    E-print Network

    L. Colombo; D. Martin de Diego; M. Zuccalli

    2009-12-10

    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.

  8. Testing Geometrical Discrimination within an Enzyme Active Site: Constrained Hydrogen Bonding in the Ketosteroid

    E-print Network

    Herschlag, Dan

    Testing Geometrical Discrimination within an Enzyme Active Site: Constrained Hydrogen Bonding of enzyme active sites and catalysis. We bring together 1.2-1.5 Å resolution X-ray crystallography, 1 H of an enzyme active site is the orientation of its constituent backbone and side-chain groups during folding

  9. 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...

  10. GEOMETRIC OPTIMIZATION OF RADIATIVE ENCLOSURES THROUGH NONLINEAR PROGRAMMING

    E-print Network

    Morton, David

    GEOMETRIC OPTIMIZATION OF RADIATIVE ENCLOSURES THROUGH NONLINEAR PROGRAMMING K. J. Daun, J. R, Texas, USA This article introduces a methodology for designing the geometry of diffuse-walled radiant enclosures through nonlinear programming. In this application, the enclosure is re- presented parametrically

  11. Geometric Programming for Aircraft Design Optimization Warren Hoburg

    E-print Network

    Abbeel, Pieter

    -stage aircraft design problems. Nomenclature A = aspect ratio b = wing span, m CD = total drag coefficient CfGeometric Programming for Aircraft Design Optimization Warren Hoburg and Pieter Abbeel University of California, Berkeley, Berkeley, California 94720 DOI: 10.2514/1.J052732 Formulating conceptual-stage aircraft

  12. Geometric Programming for Aircraft Design Optimization Warren Hoburg

    E-print Network

    Abbeel, Pieter

    for conceptual-stage aircraft design problems. Nomenclature A = aspect ratio b = wing span [m] CD = total dragGeometric Programming for Aircraft Design Optimization Warren Hoburg and Pieter Abbeel University of California, Berkeley, Berkeley, California, 94720 We propose formulating conceptual-stage aircraft design

  13. On Asymptotically Optimal Routing in Large Wireless Networks and Geometrical Optics Analogy

    E-print Network

    Toumpis, Stavros

    On Asymptotically Optimal Routing in Large Wireless Networks and Geometrical Optics Analogy Roberto, in this paper an analogy between optimal routing in large wireless networks and geometrical optics is first are outlined. Index Terms--Geometrical Optics, Massively dense networks, Multihop, Routing, Trajectory Based

  14. Geometrical optimization of helical flow in grooved micromixers†

    PubMed Central

    Lynn, N. Scott; Dandy, David S.

    2010-01-01

    Owing to the enhancement of surface effects at the micro-scale, patterned grooves on a micro-channel floor remain a powerful method to induce helical flows within a pressure driven system. Although there have been a number of numerical studies on geometrical effects concerning fluid mixing within the staggered herringbone mixer, all have focused mainly on the groove angle and depth, two factors that contribute greatly to the magnitude of helical flow. Here we present a new geometrical factor that significantly affects the generation of helical flow over patterned grooves. By varying the ratio of the length of the grooves to the neighboring ridges, helical flow can be optimized for a given groove depth and channel aspect ratio, with up to 50% increases in transverse flow possible. A thorough numerical study of over 700 cases details the magnitude of helical flow over unsymmetrical patterned grooves in a slanted groove micro-mixer, where the optimized parameters for the slanted groove mixer can be translated to the staggered herringbone mixer. The optimized groove geometries are shown to have a large dependence on the channel aspect ratio, the groove depth ratio, and the ridge length. PMID:17476376

  15. 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.

  16. 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.

  17. On the Distance to Optimality of the Geometric Approximate Minimum-Energy Attitude Filter

    E-print Network

    Trumpf, Jochen

    On the Distance to Optimality of the Geometric Approximate Minimum-Energy Attitude Filter Mohammad-optimality of the recent geometric approximate minimum-energy (GAME) filter, an attitude filter for estimation on the rotation group SO(3). The GAME filter approximates the minimum-energy (optimal) filtering solution

  18. 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.

  19. Globally Optimal Estimates for Geometric Reconstruction Fredrik Kahl 1,2 Didier Henrion 3,4

    E-print Network

    Henrion, Didier

    Globally Optimal Estimates for Geometric Reconstruction Problems Fredrik Kahl 1,2 Didier Henrion 3 of both ­ we pursue the goal of achieving global solutions of the statistically optimal cost­function. Our globally a rational function of several variables is a difficult optimization problem in general

  20. Optimal Control of a Rigid Body using Geometrically Exact Computations on SE(3)

    E-print Network

    Leok, Melvin

    Optimal Control of a Rigid Body using Geometrically Exact Computations on SE(3) Taeyoung Lee, N@math.purdue.edu Abstract-- Optimal control problems are formulated and efficient computational procedures are proposed. Optimal control of a rigid body arises in numerous engineering and scientific fields. These problems

  1. GEOMETRIC CHARACTERIZATION AND OPTIMIZATION OF 3D ORGANIC FLEXIBLE SOLAR CELLS

    E-print Network

    Kassegne, Samuel Kinde

    GEOMETRIC CHARACTERIZATION AND OPTIMIZATION OF 3D ORGANIC FLEXIBLE SOLAR CELLS Characterization and Optimization of 3D Organic Flexible Solar Cells by Ashish K. Gaikwad Master of Science of flexible organic solar cells, micro-fabricated using novel microfabrication procedures. A fully functional

  2. Optimal Allocation of Local Feedback in Multistage Amplifiers via Geometric Programming

    E-print Network

    Optimal Allocation of Local Feedback in Multistage Amplifiers via Geometric Programming Joel L of optimally allocating local feedback to the stages of a multistage amplifier. The local feedback gains affect INTRODUCTION The use of linear feedback around an amplifier stage was pi- oneered by Black [1], Bode [2

  3. Time-Optimal Parameterization of Geometric Paths for Fixed-Wing Aircraft

    E-print Network

    Tsiotras, Panagiotis

    the optimal path. In practice, the implementation of these path-planning methods requires trajectory tracking works suitably well as a post-processing tool for pure geometric/kinematic planners to check feasibility of the generated path and for constructing good initial guesses for trajectory optimization solvers. Specifically

  4. Geometric optimization of controllable magnetorheological shock absorber for commercial passenger vehicle

    NASA Astrophysics Data System (ADS)

    Sung, Kum-Gil; Han, Young-Min; Choi, Seung-Bok

    2008-03-01

    This paper presents optimal design of a controllable magnetorheological (MR) shock absorber for a passenger vehicle and shows several advantages of the optimized MR shock absorber on vibration control performance. In order to achieve this goal, a cylindrical MR shock absorber, which satisfies design specifications for a mid-sized commercial passenger vehicle, is designed using an optimization methodology. The optimization problem is to find optimal geometric dimensions of the magnetic circuit for the MR shock absorber in order to maximize damping force. The first order optimization method using commercial finite element method (FEM) software is adopted for the constrained optimization algorithm. After manufacturing the MR shock absorber with optimally obtained design parameters, its field-dependent characteristics are experimentally evaluated. The effect of the optimized MR shock absorber on suspension control is investigated using a quarter-vehicle system. Control performances such as vertical acceleration and power consumption are evaluated and compared between the initial and optimal shock absorbers.

  5. 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.

  6. 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.

  7. 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.

  8. Geometric Optimization of Thermo-electric Coolers Using Simulated Annealing

    NASA Astrophysics Data System (ADS)

    Khanh, D. V. K.; Vasant, P. M.; Elamvazuthi, I.; Dieu, V. N.

    2015-09-01

    The field of thermo-electric coolers (TECs) has grown drastically in recent years. In an extreme environment as thermal energy and gas drilling operations, TEC is an effective cooling mechanism for instrument. However, limitations such as the relatively low energy conversion efficiency and ability to dissipate only a limited amount of heat flux may seriously damage the lifetime and performance of the instrument. Until now, many researches were conducted to expand the efficiency of TECs. The material parameters are the most significant, but they are restricted by currently available materials and module fabricating technologies. Therefore, the main objective of finding the optimal TECs design is to define a set of design parameters. In this paper, a new method of optimizing the dimension of TECs using simulated annealing (SA), to maximize the rate of refrigeration (ROR) was proposed. Equality constraint and inequality constraint were taken into consideration. This work reveals that SA shows better performance than Cheng's work.

  9. A Geometric Algorithm for Selecting Optimal Set of Cutters for Multi-Part Milling

    E-print Network

    Nau, Dana S.

    A Geometric Algorithm for Selecting Optimal Set of Cutters for Multi-Part Milling Zhiyang Yao College Park,MD-20742 +1-301-405-2684 nau@cs.umd.edu ABSTRACT For the manufacture of milled parts values is just as important. If we can select a set of milling tools that will produce good machining

  10. Geometric Sieving: Automated Distributed Optimization of 3D Motifs for Protein

    E-print Network

    Kavraki, Lydia E.

    of Bioengineering, Rice University kavraki@cs.rice.edu Abstract. Determining the function of all proteinsGeometric Sieving: Automated Distributed Optimization of 3D Motifs for Protein Function Prediction of Computer Science, Rice University, Houston, TX 77005, USA 2 Department of Statistics, Rice University 3

  11. 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.

  12. Geometrical optimization of microstripe arrays for microbead magnetophoresis.

    PubMed

    Henriksen, Anders Dahl; Rozlosnik, Noemi; Hansen, Mikkel Fougt

    2015-09-01

    Manipulation of magnetic beads plays an increasingly important role in molecular diagnostics. Magnetophoresis is a promising technique for selective transportation of magnetic beads in lab-on-a-chip systems. We investigate periodic arrays of exchange-biased permalloy microstripes fabricated using a single lithography step. Magnetic beads can be continuously moved across such arrays by combining the spatially periodic magnetic field from microstripes with a rotating external magnetic field. By measuring and modeling the magnetophoresis properties of thirteen different stripe designs, we study the effect of the stripe geometry on the magnetophoretic transport properties of the magnetic microbeads between the stripes. We show that a symmetric geometry with equal width of and spacing between the microstripes facilitates faster transportation and that the optimal period of the periodic stripe array is approximately three times the height of the bead center over the microstripes. PMID:26543515

  13. 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.

  14. Process optimization for diffusion bonding of tungsten with EUROFER97 using a vanadium interlayer

    NASA Astrophysics Data System (ADS)

    Basuki, Widodo Widjaja; Aktaa, Jarir

    2015-04-01

    Solid-state diffusion bonding is a selected joining technology to bond divertor components consisting of tungsten and EUROFER97 for application in fusion power plants. Due to the large mismatch in their coefficient of thermal expansions, which leads to serious thermally induced residual stresses after bonding, a thin vanadium plate is introduced as an interlayer. However, the diffusion of carbon originated from EUROFER97 in the vanadium interlayer during the bonding process can form a vanadium carbide layer, which has detrimental influences on the mechanical properties of the joint. For optimal bonding results, the thickness of this layer and the residual stresses has to be decreased sufficiently without a significant reduction of material transport especially at the vanadium/tungsten interface, which can be achieved by varying the diffusion bonding temperature and duration. The investigation results show that at a sufficiently low bonding temperature of 700 °C and a bonding duration of 4 h, the joint reaches a reasonable high ductility and toughness especially at elevated test temperature of 550 °C with elongation to fracture of 20% and mean absorbed Charpy impact energy of 2 J (using miniaturized Charpy impact specimens). The strength of the bonded materials is about 332 MPa at RT and 291 MPa at 550 °C. Furthermore, a low bonding temperature of 700 °C can also help to avoid the grain coarsening and the alteration of the grain structure especially of the EUROFER97 close to the bond interface.

  15. Information-Geometric Optimization Algorithms: A Unifying Picture via Invariance Principles

    E-print Network

    Arnold, Ludovic; Hansen, Nikolaus; Ollivier, Yann

    2011-01-01

    We present the information-geometric optimization (IGO) method, which turns any smooth parametric family of probability distributions on an arbitrary search space $X$ into a continuous-time black-box optimization method on $X$. Invariance as a design principle keeps the number of arbitrary choices to a minimum. IGO conducts a natural gradient ascent using an adaptive, time-dependent transformation of the objective function. The cross-entropy method is recovered in a particular case with a large time step. From specific families of distributions on discrete or continuous spaces, IGO naturally recovers versions of known algorithms: CMA-ES for Gaussian distributions, and PBIL for Bernoulli distributions. IGO is invariant under reparametrization of the search space $X$, under a change of parameters of the probability distribution, and under increasing transformation of the function to be optimized. Theoretical considerations suggest that IGO achives minimal diversity loss through optimization. First experiments u...

  16. Optimization of the blade trailing edge geometric parameters for a small scale ORC turbine

    NASA Astrophysics Data System (ADS)

    Zhang, L.; Zhuge, W. L.; Peng, J.; Liu, S. J.; Zhang, Y. J.

    2013-12-01

    In general, the method proposed by Whitfield and Baines is adopted for the turbine preliminary design. In this design procedure for the turbine blade trailing edge geometry, two assumptions (ideal gas and zero discharge swirl) and two experience values (WR and ?) are used to get the three blade trailing edge geometric parameters: relative exit flow angle ?6, the exit tip radius R6t and hub radius R6h for the purpose of maximizing the rotor total-to-static isentropic efficiency. The method above is established based on the experience and results of testing using air as working fluid, so it does not provide a mathematical optimal solution to instruct the optimization of geometry parameters and consider the real gas effects of the organic, working fluid which must be taken into consideration for the ORC turbine design procedure. In this paper, a new preliminary design and optimization method is established for the purpose of reducing the exit kinetic energy loss to improve the turbine efficiency ?ts, and the blade trailing edge geometric parameters for a small scale ORC turbine with working fluid R123 are optimized based on this method. The mathematical optimal solution to minimize the exit kinetic energy is deduced, which can be used to design and optimize the exit shroud/hub radius and exit blade angle. And then, the influence of blade trailing edge geometric parameters on turbine efficiency ?ts are analysed and the optimal working ranges of these parameters for the equations are recommended in consideration of working fluid R123. This method is used to modify an existing ORC turbine exit kinetic energy loss from 11.7% to 7%, which indicates the effectiveness of the method. However, the internal passage loss increases from 7.9% to 9.4%, so the only way to consider the influence of geometric parameters on internal passage loss is to give the empirical ranges of these parameters, such as the recommended ranges that the value of ? is at 0.3 to 0.4, and the value of ? is at 0.5 to 0.6.

  17. 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 ?, 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.

  18. Geometrical shape optimization of a cold neutron source using artificial intelligence strategies

    SciTech Connect

    Azmy, Y.Y.

    1989-01-01

    A new approach is developed for optimizing the geometrical shape of a cold neutron source to maximize its cold neutron outward leakage. An analogy is drawn between the shape optimization problem and a state space search, which is the fundamental problem in Artificial Intelligence applications. The new optimization concept is implemented in the computer code DAIT in which the physical model is represented by a two group, r-z geometry nodal diffusion method, and the state space search is conducted via the Nearest Neighbor algorithm. The accuracy of the nodal diffusion method solution is established on meshes of interest, and is shown to behave qualitatively the same as transport theory solutions. The dependence of the optimum shape and its value on several physical and search parameters is examined via numerical experimentation. 10 refs., 6 figs., 2 tabs.

  19. Geometric optimal design of a magneto-rheological brake considering different shapes for the brake envelope

    NASA Astrophysics Data System (ADS)

    Nguyen, Q. H.; Lang, V. T.; Nguyen, N. D.; Choi, S. B.

    2014-01-01

    When designing a magneto-rheological brake (MRB), it is well known that the shape of the brake envelope significantly affects the performance characteristics of the brake. In this study, different shapes for the MR brake envelope, such as rectangular, polygonal or spline shape, are considered and the most suitable shape identified. MRBs with different envelope shapes are introduced followed by the derivation of the braking torque based on Bingham-plastic behavior of the magneto-rheological fluid (MRF). Optimization of the design of the MRB with different envelope shapes is then done. The optimization problem is to find the optimal value for the significant geometric dimensions of the MRB that can produce a certain required braking torque while the brake mass is minimized. A finite element analysis integrated with an optimization tool is employed to obtain optimal solutions for the MRBs. From the results, the most suitable shape for the brake envelope is identified and discussed with the reduction of mass. In addition, the results of the analysis are compared with the experimental results to verify the proposed optimal design characteristics.

  20. A topology optimization method for geometrically nonlinear structures with meshless analysis and independent density field interpolation

    NASA Astrophysics Data System (ADS)

    He, Qizhi; Kang, Zhan; Wang, Yiqiang

    2014-09-01

    Based on the element-free Galerkin (EFG) method, an analysis-independent density variable approach is proposed for topology optimization of geometrically nonlinear structures. This method eliminates the mesh distortion problem often encountered in the finite element analysis of large deformations. The topology optimization problem is formulated on the basis of point-wise description of the material density field. This density field is constructed by a physical meaning-preserving interpolation with the density values of the design variable points, which can be freely positioned independently of the field points used in the displacement analysis. An energy criterion of convergence is used to resolve the well-known convergence difficulty, which would be usually encountered in low density regions, where displacements oscillate severely during the optimization process. Numerical examples are given to demonstrate the effectiveness of the developed approach. It is shown that relatively clear optimal solutions can be achieved, without exhibiting numerical instabilities like the so-called "layering" or "islanding" phenomena even in large deformation cases. This study not only confirms the potential of the EFG method in topology optimization involving large deformations, but also provides a novel topology optimization framework based on element-free discretization of displacement and density fields, which can also easily incorporate other meshless analysis methods for specific purposes.

  1. 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.

  2. 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 ?(r) and Laplacian ?2?(r) at the bond critical point using atoms-in-molecule theory. Topological features, energy densities based on ?(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.

  3. 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.

  4. Geometrical optimization of sensors for eddy currents nondestructive testing and evaluation

    SciTech Connect

    Thollon, F.; Burais, N.

    1995-05-01

    Design of Non Destructive Testing (NDT) and Non Destructive Evaluation (NDE) sensors is possible by solving Maxwell`s relations with FEM or BIM. But the large number of geometrical and electrical parameters of sensor and tested material implies many results that don`t give necessarily a well adapted sensor. The authors have used a genetic algorithm for automatic optimization. After having tested this algorithm with analytical solution of Maxwell`s relations for cladding thickness measurement, the method has been implemented in finite element package.

  5. Optimization of geometric parameters for Marinelli beaker to maximize the detection efficiency of an HPGe detector

    NASA Astrophysics Data System (ADS)

    Ahmed, Asm Sabbir; Capello, Kevin; Chiang, Albert; Cardenas-Mendez, Erick; Kramer, Gary H.

    2009-11-01

    This paper describes the optimization of the geometric parameters of a Marinelli beaker to maximize the detection efficiency of sample measurement with a High Purity Germanium (HPGe) detector. A Monte Carlo model was developed and the detector pulse spectrum was studied for different beaker geometries with an HPGe detector. The results show that good sample measurement with an HPGe detector can be obtained by appropriate selection of the sample height over the top of the detector cap and the beaker radius surrounding the detector. Optimum sample heights and beaker radii are recommended for different sample volumes for a given detector specification.

  6. Optimized conditions for imaging the effects of bonding charge density in electron microscopy

    E-print Network

    Marks, Laurence D.

    Optimized conditions for imaging the effects of bonding charge density in electron microscopy J effects in aberration-corrected high resolution electron microscopy (HREM) images along the [0 1 0 is similarly high for an un-corrected conventional electron microscope, implying an experimental limitation

  7. 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 of grizzly bears in this ecosystem. PMID:24841821

  8. 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.

  9. Geometric Construction of Eighth-Order Optimal Families of Ostrowski's Method

    PubMed Central

    Motsa, S. S.

    2015-01-01

    Based on well-known fourth-order Ostrowski's method, we proposed many new interesting optimal families of eighth-order multipoint methods without memory for obtaining simple roots. Its geometric construction consists in approximating f n? at zn in such a way that its average with the known tangent slopes f n? at xn and yn is the same as the known weighted average of secant slopes and then we apply weight function approach. The adaptation of this strategy increases the convergence order of Ostrowski's method from four to eight and its efficiency index from 1.587 to 1.682. Finally, a number of numerical examples are also proposed to illustrate their accuracy by comparing them with the new existing optimal eighth-order methods available in the literature. It is found that they are very useful in high precision computations. Further, it is also noted that larger basins of attraction belong to our methods although the other methods are slow and have darker basins while some of the methods are too sensitive upon the choice of the initial value. PMID:25884035

  10. Heavy-Fermion Valence-Bond Liquids in Ultracold Atoms: Cooperation of the Kondo Effect and Geometric Frustration

    NASA Astrophysics Data System (ADS)

    Isaev, L.; Rey, A. M.

    2015-10-01

    We analyze a microscopic mechanism behind the coexistence of a heavy Fermi liquid and geometric frustration in Kondo lattices. We consider a geometrically frustrated periodic Anderson model and demonstrate how orbital fluctuations lead to a Kondo-screened phase in the limit of extreme strong frustration when only local singlet states participate in the low-energy physics. We also propose a setup to realize and study this exotic state with S U (3 ) -symmetric alkaline-earth cold atoms.

  11. 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…

  12. 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 as a function of adhesive properties and convergences of different joints based on the two optimization methods.

  13. Uncoiling Mechanics of Escherichia coli Type I Fimbriae Are Optimized for Catch Bonds

    PubMed Central

    Forero, Manu; Yakovenko, Olga; Sokurenko, Evgeni V; Thomas, Wendy E; Vogel, Viola

    2006-01-01

    We determined whether the molecular structures through which force is applied to receptor–ligand pairs are tuned to optimize cell adhesion under flow. The adhesive tethers of our model system, Escherichia coli, are type I fimbriae, which are anchored to the outer membrane of most E. coli strains. They consist of a fimbrial rod (0.3–1.5 ?m in length) built from a helically coiled structural subunit, FimA, and an adhesive subunit, FimH, incorporated at the fimbrial tip. Previously reported data suggest that FimH binds to mannosylated ligands on the surfaces of host cells via catch bonds that are enhanced by the shear-originated tensile force. To understand whether the mechanical properties of the fimbrial rod regulate the stability of the FimH–mannose bond, we pulled the fimbriae via a mannosylated tip of an atomic force microscope. Individual fimbriae rapidly elongate for up to 10 ?m at forces above 60 pN and rapidly contract again at forces below 25 pN. At intermediate forces, fimbriae change length more slowly, and discrete 5.0 ± 0.3–nm changes in length can be observed, consistent with uncoiling and coiling of the helical quaternary structure of one FimA subunit at a time. The force range at which fimbriae are relatively stable in length is the same as the optimal force range at which FimH–mannose bonds are longest lived. Higher or lower forces, which cause shorter bond lifetimes, cause rapid length changes in the fimbria that help maintain force at the optimal range for sustaining the FimH–mannose interaction. The modulation of force and the rate at which it is transmitted from the bacterial cell to the adhesive catch bond present a novel physiological role for the fimbrial rod in bacterial host cell adhesion. This suggests that the mechanical properties of the fimbrial shaft have codeveloped to optimize the stability of the terminal adhesive under flow. PMID:16933977

  14. Geometrical effects of phospholipid olefinic bonds on the structure and dynamics of membranes: A molecular dynamics study.

    PubMed

    Tsai, Hui-Hsu Gavin; Lee, Jian-Bin; Li, Hung-Sheng; Hou, Tsai-Yi; Chu, Wen-Yuan; Shen, Po-Chuan; Chen, Ying-Yu; Tan, Chun-Jui; Hu, Jia-Cheng; Chiu, Chih-Chiang

    2015-05-01

    The trans isomers of fatty acids are found in human adipose tissue. These isomers have been linked with deleterious health effects (e.g., coronary artery disease). In this study, we performed molecular dynamics simulations to investigate the structures and dynamic properties of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine (POPC) and 1-palmitoyl-2-elaidoyl sn-glycero-3-phosphatidylcholine (PEPC) lipid bilayers. The geometry of the olefinic bond and membrane packing effects significantly influenced the conformations and dynamics of the two C-C single bonds adjacent to the olefinic bond. For the PEPC lipid, the two C-C single bonds adjacent to the olefinic bond adopted mainly nonplanar skew-trans and planar cis-trans motifs; although the cis conformation featured relatively strong steric repulsion, it was stabilized through membrane packing because its planar structure is more suitable for membrane packing. Moreover, membrane packing effects stabilized the planar transition state for conformational conversion to a greater extent than they did with the nonplanar transition state, thereby affecting the dynamics of conformational conversion. The rotational motions of the first neighboring C-C single bonds were much faster than those of typical saturated C-C single bonds; in contrast, the rotational motions of the second neighboring C-C single bonds were significantly slower than those of typical saturated torsion angles. The packing of PEPC lipids is superior to that of POPC lipids, leading to a smaller area per lipid, a higher order parameter and a smaller diffusion coefficient. The distinct properties of POPC and PEPC lipids result in PEPC lipids forming microdomains within a POPC matrix. PMID:25732027

  15. 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.

  16. Optimal geometrical configuration of a double-scattering compton camera for maximum imaging resolution and sensitivity

    NASA Astrophysics Data System (ADS)

    Seo, Hee; Lee, Se Hyung; Kim, Chan Hyeong; An, So Hyun; Lee, Ju Hahn; Lee, Chun Sik

    2008-06-01

    A novel type of Compton camera, called a double-scattering Compton imager (DOCI), is under development for nuclear medicine and molecular imaging applications. Two plane-type position-sensitive semiconductor detectors are employed as the scatterer detectors, and a 3?×3? cylindrical NaI(Tl) scintillation detector is employed as the absorber detector. This study determined the optimal geometrical configuration of these component detectors to maximize the performance of the Compton camera in imaging resolution and sensitivity. To that end, the Compton camera was simulated very realistically, with the GEANT4 detector simulation toolkit, including various detector characteristics such as energy resolution, spatial resolution, energy discrimination, and Doppler energy broadening. According to our simulation results, the Compton camera is expected to show its maximum performance when the two scatterer detectors are positioned in parallel, with ˜8 cm of separation. The Compton camera will show the maximum performance also when the gamma-ray energy is about 500 keV, which suggests that the Compton camera is a suitable device to image the distribution of the positron emission tomography (PET) isotopes in the human body.

  17. E–H Bond Activation of Ammonia and Water by a Geometrically Constrained Phosphorus(III) Compound

    PubMed Central

    Robinson, Thomas P; De Rosa, Daniel M; Aldridge, Simon; Goicoechea, Jose M

    2015-01-01

    The synthesis of a phosphorus(III) compound bearing a N,N-bis(3,5-di-tert-butyl-2-phenoxy)amide ligand is reported. This species has been found to react with ammonia and water, activating the E–H bonds in both substrates by formal oxidative addition to afford the corresponding phosphorus(V) compounds. In the case of water, both O–H bonds can be activated, splitting the molecule into its constituent elements. To our knowledge, this is the first example of a compound based on main group elements that sequentially activates water in this manner. PMID:26404498

  18. Optimizing Diffusion Bonding Parameters in AA6061-T6 Aluminum and AZ80 Magnesium Alloy Dissimilar Joints

    NASA Astrophysics Data System (ADS)

    Joseph Fernandus, M.; Senthilkumar, T.; Balasubramanian, V.; Rajakumar, S.

    2012-11-01

    The main difficulty when joining magnesium (Mg) and aluminum (Al) alloys by fusion welding lies in the formation of oxide films and brittle intermetallic in the bond region which affects the integrity of the joints. However, diffusion bonding is a suitable process to join these two materials as no such characteristic defects are produced at the joints. The diffusion bonding process parameters such as bonding temperature, bonding pressure, holding time, and surface roughness of the specimen play a major role in determining the joint strength. In this investigation, an attempt was made to develop empirical relationships to predict the strengths of diffusion bonded AZ80 magnesium and AA6061 aluminum alloys dissimilar joints from the process parameters based on central composite factorial design. Response surface methodology was applied to optimize the process parameters to attain the maximum shear strength and bonding strength of the joint. From this investigation, it was found that the bonds produced with the temperature of 405.87 °C, pressure of 7.87 MPa, holding time of 29.02 min and surface roughness of 0.10 ?m exhibited maximum shear strength and bonding strength of 57.70 and 76.90 MPa, respectively. The intermetallic formation at the interface was identified.

  19. 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 (?ME,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 ?ME,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

  20. 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.

  1. Optimization of the geometric parameters of spherical segments made of titanium nickelide shape memory alloys

    NASA Astrophysics Data System (ADS)

    Khusainov, M. A.; Popov, S. A.; Malukhina, O. A.

    2015-08-01

    A technique is developed to determine the force of impact of a spherical segment on an obstacle (dynamometer) during the martensite ? austenite phase transition. An impact on an obstacle is shown to occur at certain ratios of the geometric parameters of a segment. A model is constructed for the dependence of the impact force on key parameters D/R and h/R, and a separating function is obtained to divide spherical segments into the segments that flick with an impact on an obstacle and the segments that restore their shape without a clap and, correspondingly, an impact. A procedure is proposed to calculate the geometric parameters of a spherical segment ( D, h, R) at a given impact force P imp and to determine the impact force from the geometric parameters of a segment.

  2. Searching optimal shapes for blades of a fan

    E-print Network

    Gianluca Argentini

    2008-03-26

    A nonlinear differential equation about optimal shapes for blades of a fan. A boundary value differential problem from engineering, geometrical or physical bonds. A relation between linear profiles and constant speed along the side under flow.

  3. 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 that can potentially block it. Based on blockage ratio and distance, an optimization procedure is proposed that explores many different layout variables and identifies, given actual wind direction and stability distributions, the optimal wind farm layout, i.e., the one with the highest wind energy production. The optimization procedure is applied to both the calibration wind farm (Lillgrund) and a test wind farm (Horns Rev) and a number of layouts more efficient than the existing ones are identified. The optimization procedure based on geometric models proposed here can be applied very quickly (within a few hours) to any proposed wind farm, once enough information on wind direction frequency and, if available, atmospheric stability frequency has been gathered and once the number of turbines and/or the areal extent of the wind farm have been identified.

  4. 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 sorting method. By integrating a smart constraint adding/deleting scheme within the iteration framework, the new technique builds up an improved algorithm for solving the fluence map optimization with dose-volume constraints.

  5. Geometric optimal control of the contrast imaging problem in Nuclear Magnetic Resonance

    E-print Network

    B. Bonnard; O. Cots; S. J. Glaser; M. Lapert; D. Sugny; Y. Zhang

    2012-08-14

    The objective of this article is to introduce the tools to analyze the contrast imaging problem in Nuclear Magnetic Resonance. Optimal trajectories can be selected among extremal solutions of the Pontryagin Maximum Principle applied to this Mayer type optimal problem. Such trajectories are associated to the question of extremizing the transfer time. Hence the optimal problem is reduced to the analysis of the Hamiltonian dynamics related to singular extremals and their optimality status. This is illustrated by using the examples of cerebrospinal fluid / water and grey / white matter of cerebrum.

  6. A Geometric Analysis of Bang-Bang Extremals in Optimal Control Problems for Combination Cancer Chemotherapy*

    E-print Network

    Ledzewicz, Urszula

    Chemotherapy* Heinz Sch¨attler Dept. of Electrical and Systems Engineering, Washington University, St. Louis of cancer cells under combination chemotherapies are considered as multi-input optimal control problems over for chemotherapy over a fixed therapy interval. For these problems, and consistent with medical practice, optimal

  7. Doing Topology Optimization Explicitly and Geometrically—A New Moving Morphable Components Based Framework

    NASA Astrophysics Data System (ADS)

    Guo, Xu; Zhang, Weisheng; Zhong, Wenliang

    2014-05-01

    In the present work, a new computational framework for structural topology optimization based on the concept of moving deformable components is proposed. Compared with the traditional pixel or node point-based solution framework, the proposed solution paradigm can incorporate more geometry and mechanical information into topology optimization directly and therefore render the solution process more flexible. It also has the great potential to reduce the computational burden associated with topology optimization substantially. Some representative examples are presented to illustrate the effectiveness of the proposed approach.

  8. Multi-objective Optimization of Geometric Dimensions and Material Composition of

    E-print Network

    Vel, Senthil

    and shape parameters that will minimize multiple objectives subject to nonlinear constraints. Keywords: FGM designing a high-temperature FGM since optimal designs based on static and transient analysis may be quite-objective genetic algorithms (GAs) [4]. Numerical results are presented for a tungsten/copper (W/Cu) FGM

  9. Geometrical shape optimization of a cavity receiver using coupled radiative and hydrodynamic modeling

    E-print Network

    walls of the cavity while only taking into account the radiative component of receiver losses. This study proposes an attempt to optimize the shape of a direct steam generation mono-tube cavity receiver A steady-state one-dimensional model of a mono-tube cavity receiver models the heat transfer to the water/steam

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    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.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. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03558a

  11. 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

  12. 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.

  13. 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

  14. 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

    2015-10-01

    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

  15. Optimized conditions for imaging the effects of bonding charge density in electron microscopy.

    PubMed

    Ciston, J; Kim, J S; Haigh, S J; Kirkland, A I; Marks, L D

    2011-06-01

    We report on the observability of valence bonding effects in aberration-corrected high resolution electron microscopy (HREM) images along the [010] projection of the mineral Forsterite (Mg?SiO?). We have also performed exit wave restorations using simulated noisy images and have determined that both the intensities of individual images and the modulus of the restored complex exit wave are most sensitive to bonding effects at a level of 25% for moderately thick samples of 20-25 nm. This relatively large thickness is due to dynamical amplification of bonding contrast arising from partial de-channeling of 1s states. Simulations also suggest that bonding contrast is similarly high for an un-corrected conventional electron microscope, implying an experimental limitation of signal to noise ratio rather than spatial resolution. PMID:21193268

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

    DOEpatents

    Lewis, Nathan S. (La Canada, CA); Freund, Michael S. (Winnipeg, CA); Briglin, Shawn S. (Chittenango, NY); Tokumaru, Phillip (Moorpark, CA); Martin, Charles R. (Gainesville, FL); Mitchell, David (Newtown, PA)

    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.

  17. 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.

  18. 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.

  19. 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.

  20. 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 several ways, and will likely become reality in the near future. PMID:23953737

  1. Low-temperature wafer-level gold thermocompression bonding: modeling of flatness deviations and associated process optimization for high yield and tough bonds

    NASA Astrophysics Data System (ADS)

    Stamoulis, Konstantinos; Tsau, Christine H.; Spearing, S. Mark

    2005-01-01

    Wafer-level, thermocompression bonding is a promising technique for MEMS packaging. The quality of the bond is critically dependent on the interaction between flatness deviations, the gold film properties and the process parameters and tooling used to achieve the bonds. The effect of flatness deviations on the resulting bond is investigated in the current work. The strain energy release rate associated with the elastic deformation required to overcome wafer bow is calculated. A contact yield criterion is used to examine the pressure and temperature conditions required to flatten surface roughness asperities in order to achieve bonding over the full apparent area. The results are compared to experimental data of bond yield and toughness obtained from four-point bend delamination testing and microscopic observations of the fractured surfaces. Conclusions from the modeling and experiments indicate that wafer bow has negligible effect on determining the variability of bond quality and that the well-bonded area is increased with increasing bonding pressure. The enhanced understanding of the underlying deformation mechanisms allows for a better controlled trade-off between the bonding pressure and temperature.

  2. Low-temperature wafer-level gold thermocompression bonding: modeling of flatness deviations and associated process optimization for high yield and tough bonds

    NASA Astrophysics Data System (ADS)

    Stamoulis, Konstantinos; Tsau, Christine H.; Spearing, S. Mark

    2004-12-01

    Wafer-level, thermocompression bonding is a promising technique for MEMS packaging. The quality of the bond is critically dependent on the interaction between flatness deviations, the gold film properties and the process parameters and tooling used to achieve the bonds. The effect of flatness deviations on the resulting bond is investigated in the current work. The strain energy release rate associated with the elastic deformation required to overcome wafer bow is calculated. A contact yield criterion is used to examine the pressure and temperature conditions required to flatten surface roughness asperities in order to achieve bonding over the full apparent area. The results are compared to experimental data of bond yield and toughness obtained from four-point bend delamination testing and microscopic observations of the fractured surfaces. Conclusions from the modeling and experiments indicate that wafer bow has negligible effect on determining the variability of bond quality and that the well-bonded area is increased with increasing bonding pressure. The enhanced understanding of the underlying deformation mechanisms allows for a better controlled trade-off between the bonding pressure and temperature.

  3. 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.

  4. Geometric and Electronic Structure of [{Cu(MeAN)}2(?-?2:?2(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 ?O–O (710–730 cm?1) have been found in equilibrium with their bis-?-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(?-?2:?2-O22?)]2+ peroxo species with low ?O–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 ?O–O. EXAFS and rR spectroscopic and reactivity studies indicate the exclusive formation of [{CuII(MeAN)}2(?-?2:?2-O22?)]2+ without any bis-?-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 ? 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 ?* 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-?-oxo-dicopper(III) species. These results highlight the necessity of understanding electronic structure changes associated with spectral changes for correlations to reactivity. PMID:22571744

  5. CFD-aided cell settler design optimization and scale-up: effect of geometric design and operational variables on separation performance.

    PubMed

    Shen, Yuyi; Yanagimachi, Kurt

    2011-01-01

    The inclined multiplate (lamella) gravity settler has proven to be an effective cell retention device in industrial perfusion cell culture applications. Investigations on the effects of geometric design and operational variables of the cell settler are crucial to understanding how to best improve the settler performance. Maximizing the harvest/perfusion flow rate while minimizing viable cell loss out of the harvest is the primary challenge for optimization of the settler design. This study demonstrated that computational fluid dynamics (CFD) can be utilized to accurately model and evaluate the settler separation performance for near-monodisperse suspensions and therefore aid in the design optimization of the settler under these baseline conditions. With the preferred geometric features that were identified from CFD modeling results, we proposed design guidelines for the scale-up of these multiplate settler systems. With these guidelines and performance verification using the CFD model, a new large-scale settler was designed and fabricated for a perfusion cell culture process using a minimally aggregating production cell line. Perfusion cell culture runs with this particular cell line were performed with this settler, and the CFD model was able to predict the initial ramp-up performance, proving it to be a valuable scale-up design tool for this production process. PMID:21618723

  6. Chemical Distribution and Bonding of Lithium in Intercalated Graphite: Identification with Optimized Electron Energy Loss Spectroscopy

    SciTech Connect

    Zhu, Y.; Wang, F.; Graetz, J.; Moreno, M.S.; Ma, C.; Wu, L.; Volkov, V.

    2011-02-01

    Direct mapping of the lithium spatial distribution and the chemical state provides critical information on structure-correlated lithium transport in electrode materials for lithium batteries. Nevertheless, probing lithium, the lightest solid element in the periodic table, poses an extreme challenge with traditional X-ray or electron scattering techniques due to its weak scattering power and vulnerability to radiation damage. Here, we report nanoscale maps of the lithium spatial distribution in electrochemically lithiated graphite using electron energy loss spectroscopy in the transmission electron microscope under optimized experimental conditions. The electronic structure of the discharged graphite was obtained from the near-edge fine structure of the Li and C K-edges and ab initio calculations. A 2.7 eV chemical shift of the Li K-edge, along with changes in the density of states, reveals the ionic nature of the intercalated lithium with significant charge transfer to the graphene sheets. Direct mapping of lithium in graphite revealed nanoscale inhomogeneities (nonstoichiometric regions), which are correlated with local phase separation and structural disorder (i.e., lattice distortion and dislocations) as observed by high-resolution transmission electron microscopy. The surface solid-electrolyte interphase (SEI) layer was also imaged and determined to have a thickness of 10-50 nm, covering both edge and basal planes with LiF as its primary inorganic component. The Li K-edge spectroscopy and mapping, combined with electron microscopy-based structural analysis provide a comprehensive view of the structure-correlated lithium intercalation in graphite and of the formation of the SEI layer.

  7. Bond dissociation energies and bond orders for some astrophysical molecules

    NASA Astrophysics Data System (ADS)

    Reddy, R. R.; Viswanath, R.

    1989-06-01

    The bond dissociation energies for various astrophysically important diatomic molecules have been determined using a formula in which bond dissociation energies are the sum of the geometric average of the component bond energies and 32.058 times the Pauling electronegativity difference. Bond orders are estimated according to the formula of Reddy et al. (1985, 1987). The results confirm the definition of bond order given by Politzer (1969). The estimated bond energies are found to agree well with previous values and to give an error of 8 percent, as compared to the error of 26.8 percent found using Pauling's (1960) equation.

  8. A frequent, GxxxG-mediated, transmembrane association motif is optimized for the formation of interhelical C?-H hydrogen bonds.

    PubMed

    Mueller, Benjamin K; Subramaniam, Sabareesh; Senes, Alessandro

    2014-03-11

    Carbon hydrogen bonds between C?-H donors and carbonyl acceptors are frequently observed between transmembrane helices (C?-H···O=C). Networks of these interactions occur often at helix-helix interfaces mediated by GxxxG and similar patterns. C?-H hydrogen bonds have been hypothesized to be important in membrane protein folding and association, but evidence that they are major determinants of helix association is still lacking. Here we present a comprehensive geometric analysis of homodimeric helices that demonstrates the existence of a single region in conformational space with high propensity for C?-H···O=C hydrogen bond formation. This region corresponds to the most frequent motif for parallel dimers, GASright, whose best-known example is glycophorin A. The finding suggests a causal link between the high frequency of occurrence of GASright and its propensity for carbon hydrogen bond formation. Investigation of the sequence dependency of the motif determined that Gly residues are required at specific positions where only Gly can act as a donor with its "side chain" H?. Gly also reduces the steric barrier for non-Gly amino acids at other positions to act as C? donors, promoting the formation of cooperative hydrogen bonding networks. These findings offer a structural rationale for the occurrence of GxxxG patterns at the GASright interface. The analysis identified the conformational space and the sequence requirement of C?-H···O=C mediated motifs; we took advantage of these results to develop a structural prediction method. The resulting program, CATM, predicts ab initio the known high-resolution structures of homodimeric GASright motifs at near-atomic level. PMID:24569864

  9. Geometrical Bioelectrodynamics

    E-print Network

    Vladimir G. Ivancevic; Tijana T. Ivancevic

    2008-09-26

    This paper proposes rigorous geometrical treatment of bioelectrodynamics, underpinning two fast-growing biomedical research fields: bioelectromagnetism, which deals with the ability of life to produce its own electromagnetism, and bioelectromagnetics, which deals with the effect on life from external electromagnetism. Keywords: Bioelectrodynamics, exterior geometrical machinery, Dirac-Feynman quantum electrodynamics, functional electrical stimulation

  10. 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.

  11. 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)

  12. 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...

  13. Geometric Metamorphosis

    PubMed Central

    Niethammer, Marc; Hart, Gabriel L.; Pace, Danielle F.; Vespa, Paul M.; Irimia, Andrei; Van Horn, John D.; Aylward, Stephen R.

    2013-01-01

    Standard image registration methods do not account for changes in image appearance. Hence, metamorphosis approaches have been developed which jointly estimate a space deformation and a change in image appearance to construct a spatio-temporal trajectory smoothly transforming a source to a target image. For standard metamorphosis, geometric changes are not explicitly modeled. We propose a geometric metamorphosis formulation, which explains changes in image appearance by a global deformation, a deformation of a geometric model, and an image composition model. This work is motivated by the clinical challenge of predicting the long-term effects of traumatic brain injuries based on time-series images. This work is also applicable to the quantification of tumor progression (e.g., estimating its infiltrating and displacing components) and predicting chronic blood perfusion changes after stroke. We demonstrate the utility of the method using simulated data as well as scans from a clinical traumatic brain injury patient. PMID:21995083

  14. 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. ?-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 ?-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.

  15. 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. ?-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 ?-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

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

    PubMed

    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. ?-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 ?-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

  17. Labyrinth stepped seal geometric optimization 

    E-print Network

    Wernig, Marcus Daniel

    1995-01-01

    High-speed rotating machinery poses a challenging problem to designers and engineers. Interference between rotating and stationary elements can result in excessive wear, decreased machine performance, or machine failure. ...

  18. ?-Hole aerogen bonding interactions.

    PubMed

    Bauzá, Antonio; Frontera, Antonio

    2015-09-23

    In this manuscript we combine high level ab initio calculations (RI-MP2/aug-cc-pVTZ) and the analysis of several crystal structures to demonstrate the existence of ?-hole aerogen bonding interactions in Xe(iv) compounds. The ability of XeF4 and Xe(OMe)4 to interact with electron rich molecules is rationalized using several computational tools, including molecular electrostatic potential surfaces, energetic and geometric features of the complexes and "atoms in molecules" (AIM) and Natural Bond Orbital (NBO) analyses. We have found support for the ?-hole interaction involving the xenon atom from the solid state architecture of several X-ray structures retrieved from the crystal structural depot. Particularly, ?-hole aerogen bonding interactions are quite common in the solid state of Xe(iv) compounds. PMID:26252726

  19. Geometric dequantization

    SciTech Connect

    Abrikosov, A.A. . E-mail: persik@itep.ru; Gozzi, E. . E-mail: gozzi@ts.infn.it; Mauro, D. . E-mail: mauro@ts.infn.it

    2005-05-01

    Dequantization is a set of rules which turn quantum mechanics (QM) into classical mechanics (CM). It is not the WKB limit of QM. In this paper we show that, by extending time to a 3-dimensional 'supertime,' we can dequantize the system in the sense of turning the Feynman path integral version of QM into the functional counterpart of the Koopman-von Neumann operatorial approach to CM. Somehow this procedure is the inverse of geometric quantization and we present it in three different polarizations: the Schroedinger, the momentum and the coherent states ones.

  20. Geometric dequantization

    NASA Astrophysics Data System (ADS)

    Abrikosov, A. A.; Gozzi, E.; Mauro, D.

    2005-05-01

    Dequantization is a set of rules which turn quantum mechanics (QM) into classical mechanics (CM). It is not the WKB limit of QM. In this paper we show that, by extending time to a 3-dimensional "supertime," we can dequantize the system in the sense of turning the Feynman path integral version of QM into the functional counterpart of the Koopman-von Neumann operatorial approach to CM. Somehow this procedure is the inverse of geometric quantization and we present it in three different polarizations: the Schrödinger, the momentum and the coherent states ones.

  1. Sticker Bonding.

    ERIC Educational Resources Information Center

    Frazier, Laura Corbin

    2000-01-01

    Introduces a science activity on the bonding of chemical compounds. Assigns students the role of either a cation or anion and asks them to write the ions they may bond with. Assesses students' understanding of charge, bonding, and other concepts. (YDS)

  2. 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…

  3. Diffusion bonding

    NASA Astrophysics Data System (ADS)

    Brown, L. E.

    1993-03-01

    A temperature between 400 and 500 and a pressure between 40 MPa and 160 MPa were indicated by a two-factor, three-level factorial experiment for diffusion bonding of molybdenum sheet substrates. These substrates were sputter ion plated with palladium (0.5 microns) and silver (10 microns) films on the mating surfaces, with the silver used as a bonding interlayer. The palladium acted as an adhesive layer between the silver film and molybdenum substrate. The silver diffusion bonds that resulted were qualitatively characterized at the interfacial regions, and bonds with no visible interface were obtained at 7500X magnification. Correlations were obtained for voids found optically at the silver/silver bonding interface and colored image maps, illustrating bond quality, produced by nondestructive ultrasonic imaging. Above 160 MPa, the bonding process produces samples with a nonuniform load distribution. These samples contained regions with gaps and well-bonded regions at the silver/silver interface, and all had macroscopic deformation of the silver films.

  4. 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.

  5. Layout-Driven Test-Architecture Design and Optimization for 3D SoCs under Pre-Bond Test-Pin-Count Constraint

    E-print Network

    Chakrabarty, Krishnendu

    -Pin-Count Constraint Li Jiang, Qiang Xu, Krishnendu Chakrabarty, and T. M. Mak§ Deptartment of CS&E, The Chinese of the above benefits, industry experts predict that 3D ICs will occupy a big market share for future higher manufacturing yield in D2D bonding or D2W bonding [3, 15]. Therefore, when the die size is large

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

    NASA Astrophysics Data System (ADS)

    Ç?rak, Ça?r?; 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.

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

    NASA Astrophysics Data System (ADS)

    Ç?rak, Ça?r?; 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 ?-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.

  8. 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.

  9. 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(/r)-0.19, connecting the average experimental bond lengths, , with the average accumulation of the electron density at the bond critical point, , 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(?(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 ?(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, ?, power law expression ? = [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, = 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-O bonded interactions for a relatively wide range of M atoms of the periodic table. The power law equation determined for the oxide crystals at ambient conditions is similar to the power law expression = r[1.46/]5.26 determined for the perovskites at pressures as high as 80 GPa, indicating that the intrinsic connection between R(M-O) and ?(rc) that holds at ambient conditions also holds, to a first approximation, at high pressures.

  10. Interaction geometries and energies of hydrogen bonds to C[double bond]O and C[double bond]S acceptors: a comparative study.

    PubMed

    Wood, Peter A; Pidcock, Elna; Allen, Frank H

    2008-08-01

    The occurrence, geometries and energies of hydrogen bonds from N-H and O-H donors to the S acceptors of thiourea derivatives, thioamides and thiones are compared with data for their O analogues - ureas, amides and ketones. Geometrical data derived from the Cambridge Structural Database indicate that hydrogen bonds to the C[double bond]S acceptors are much weaker than those to their C[double bond]O counterparts: van der Waals normalized hydrogen bonds to O are shorter than those to S by approximately 0.25 A. Further, the directionality of the approach of the hydrogen bond with respect to S, defined by the C[double bond]S...H angle, is in the range 102-109 degrees , much lower than the analogous C[double bond]O...H angle which lies in the range 127-140 degrees . Ab initio calculations using intermolecular perturbation theory show good agreement with the experimental results: the differences in hydrogen-bond directionality are closely reproduced, and the interaction energies of hydrogen bonds to S are consistently weaker than those to O, by approximately 12 kJ mol(-1), for each of the three compound classes. There are no CSD examples of hydrogen bonds to aliphatic thiones, (Csp(3))(2)C=S, consistent with the near-equality of the electronegativities of C and S. Thioureas and thioamides have electron-rich N substituents replacing the Csp(3) atoms. Electron delocalization involving C[double bond]S and the N lone pairs then induces a significant >C(delta+)[double bond]S(delta-) dipole, which enables the formation of the medium-strength C[double bond]S...H bonds observed in thioureas and thioamides. PMID:18641451

  11. Fast and optimal solution to the 'Rankine-Hugoniot problem'. [for geometrical shock wave properties, conservation constants and self-consistent asymptotic magnetofluid variables of interplanetary medium

    NASA Technical Reports Server (NTRS)

    Vinas, A. F.; Scudder, J. D.

    1986-01-01

    A new, definitive, reliable and fast iterative method is described for determining the geometrical properties of a shock (i.e., theta sub Bn, yields N, V sub s and M sub A), the conservation constants and the self-consistent asymptotic magnetofluid variables, that uses the three dimensional magnetic field and plasma observations. The method is well conditioned and reliable at all theta sub Bn angles regardless of the shock strength or geometry. Explicit proof of uniqueness of the shock geometry solution by either analytical or graphical methods is given. The method is applied to synthetic and real shocks, including a bow shock event and the results are then compared with those determined by preaveraging methods and other iterative schemes. A complete analysis of the confidence region and error bounds of the solution is also presented.

  12. Optimism

    PubMed Central

    Carver, Charles S.; Scheier, Michael F.; Segerstrom, Suzanne C.

    2010-01-01

    Optimism is an individual difference variable that reflects the extent to which people hold generalized favorable expectancies for their future. Higher levels of optimism have been related prospectively to better subjective well-being in times of adversity or difficulty (i.e., controlling for previous well-being). Consistent with such findings, optimism has been linked to higher levels of engagement coping and lower levels of avoidance, or disengagement, coping. There is evidence that optimism is associated with taking proactive steps to protect one's health, whereas pessimism is associated with health-damaging behaviors. Consistent with such findings, optimism is also related to indicators of better physical health. The energetic, task-focused approach that optimists take to goals also relates to benefits in the socioeconomic world. Some evidence suggests that optimism relates to more persistence in educational efforts and to higher later income. Optimists also appear to fare better than pessimists in relationships. Although there are instances in which optimism fails to convey an advantage, and instances in which it may convey a disadvantage, those instances are relatively rare. In sum, the behavioral patterns of optimists appear to provide models of living for others to learn from. PMID:20170998

  13. Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of L-histidinium bromide monohydrate: A density functional theory

    NASA Astrophysics Data System (ADS)

    Sajan, D.; Joseph, Lynnette; Vijayan, N.; Karabacak, M.

    2011-10-01

    The spectroscopic properties of the crystallized nonlinear optical molecule L-histidinium bromide monohydrate (abbreviated as L-HBr-mh) have been recorded and analyzed by FT-IR, FT-Raman and UV techniques. The equilibrium geometry, vibrational wavenumbers and the first order hyperpolarizability of the crystal were calculated with the help of density functional theory computations. The optimized geometric bond lengths and bond angles obtained by using DFT (B3LYP/6-311++G(d,p)) show good agreement with the experimental data. The complete assignments of fundamental vibrations were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. The natural bond orbital (NBO) analysis confirms the occurrence of strong intra and intermolecular N-H⋯O hydrogen bonding.

  14. Distinguishing the Effects of Bond-Length Alternation versus Bond-Order Alternation on the Nonlinear Optical Properties of ?-Conjugated Chromophores.

    PubMed

    Gieseking, Rebecca L; Risko, Chad; Brédas, Jean-Luc

    2015-06-18

    Understanding the relationships between the molecular nonlinear optical (NLO) properties and the bond-length alternation (BLA) or ?-bond-order alternation (BOA) along the molecular backbone of linear ?-conjugated systems has proven widely useful in the development of NLO organic chromophores and materials. Here, we examine model polymethines to elucidate the reliability of these relationships. While BLA is solely a measure of molecular geometric structure, BOA includes information pertaining to the electronic structure. As a result, BLA is found to be a good predictor of NLO properties only when optimized geometries are considered, whereas BOA is more broadly applicable. Proper understanding of the distinction between BLA and BOA is critical when designing computational studies of NLO properties, especially for molecules in complex environments or in nonequilibrium geometries. PMID:26266585

  15. Geometrical Gyro-Kinetic

    E-print Network

    Frénod, Emmanuel

    The Geometrical Gyro-Kinetic Approximation Emmanuel Frénod Introduction : The two parameters Jiao Tong University The Geometrical Gyro-Kinetic Approximation Emmanuel Frénod1 May, 24th - 2013 Joint.frenod@univ-ubs.fr http://web.univ-ubs.fr/lmam/frenod/index.html Emmanuel Frénod The Geometrical Gyro-Kinetic

  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

    2015-07-01

    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. Shape design sensitivity analysis and optimization of three dimensional elastic solids using geometric modeling and automatic regridding. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Yao, Tse-Min; Choi, Kyung K.

    1987-01-01

    An automatic regridding method and a three dimensional shape design parameterization technique were constructed and integrated into a unified theory of shape design sensitivity analysis. An algorithm was developed for general shape design sensitivity analysis of three dimensional eleastic solids. Numerical implementation of this shape design sensitivity analysis method was carried out using the finite element code ANSYS. The unified theory of shape design sensitivity analysis uses the material derivative of continuum mechanics with a design velocity field that represents shape change effects over the structural design. Automatic regridding methods were developed by generating a domain velocity field with boundary displacement method. Shape design parameterization for three dimensional surface design problems was illustrated using a Bezier surface with boundary perturbations that depend linearly on the perturbation of design parameters. A linearization method of optimization, LINRM, was used to obtain optimum shapes. Three examples from different engineering disciplines were investigated to demonstrate the accuracy and versatility of this shape design sensitivity analysis method.

  18. Halogen bonds in crystal engineering: like hydrogen bonds yet different.

    PubMed

    Mukherjee, Arijit; Tothadi, Srinu; Desiraju, Gautam R

    2014-08-19

    The halogen bond is an attractive interaction in which an electrophilic halogen atom approaches a negatively polarized species. Short halogen atom contacts in crystals have been known for around 50 years. Such contacts are found in two varieties: type I, which is symmetrical, and type II, which is bent. Both are influenced by geometric and chemical considerations. Our research group has been using halogen atom interactions as design elements in crystal engineering, for nearly 30 years. These interactions include halogen···halogen interactions (X···X) and halogen···heteroatom interactions (X···B). Many X···X and almost all X···B contacts can be classified as halogen bonds. In this Account, we illustrate examples of crystal engineering where one can build up from previous knowledge with a focus that is provided by the modern definition of the halogen bond. We also comment on the similarities and differences between halogen bonds and hydrogen bonds. These interactions are similar because the protagonist atoms-halogen and hydrogen-are both electrophilic in nature. The interactions are distinctive because the size of a halogen atom is of consequence when compared with the atomic sizes of, for example, C, N, and O, unlike that of a hydrogen atom. Conclusions may be drawn pertaining to the nature of X···X interactions from the Cambridge Structural Database (CSD). There is a clear geometric and chemical distinction between type I and type II, with only type II being halogen bonds. Cl/Br isostructurality is explained based on a geometric model. In parallel, experimental studies on 3,4-dichlorophenol and its congeners shed light on the nature of halogen···halogen interactions and reveal the chemical difference between Cl and Br. Variable temperature studies also show differences between type I and type II contacts. In terms of crystal design, halogen bonds offer a unique opportunity in the strength, atom size and interaction gradation; this may be used in the design of ternary cocrystals. Structural modularity in which an entire crystal structure is defined as a combination of modules is rationalized on the basis of the intermediate strength of a halogen bond. The specific directionality of the halogen bond makes it a good tool to achieve orthogonality in molecular crystals. Mechanical properties can be tuned systematically by varying these orthogonally oriented halogen···halogen interactions. In a further development, halogen bonds are shown to play a systematic role in organization of LSAMs (long range synthon aufbau module), which are bigger structural units containing multiple synthons. With a formal definition in place, this may be the right time to look at differences between halogen bonds and hydrogen bonds and exploit them in more subtle ways in crystal engineering. PMID:25134974

  19. Geometric Exponents, SLE and Logarithmic Minimal Models

    E-print Network

    Yvan Saint-Aubin; Paul A. Pearce; Jorgen Rasmussen

    2008-10-10

    In statistical mechanics, observables are usually related to local degrees of freedom such as the Q SLE_kappa), one can consider observables related to nonlocal degrees of freedom such as paths or boundaries of clusters. This leads to fractal dimensions or geometric exponents related to values of conformal dimensions not found among the finite sets of values allowed by the rational minimal models. Working in the context of a loop gas with loop fugacity beta = -2 cos(4 pi/kappa), we use Monte Carlo simulations to measure the fractal dimensions of various geometric objects such as paths and the generalizations of cluster mass, cluster hull, external perimeter and red bonds. Specializing to the case where the SLE parameter kappa = 4p'/p is rational with p SLE_kappa, with predictions from theoretical physics and with other numerical experiments. Throughout, we emphasize the relationships between SLE_kappa, geometric exponents and the conformal dimensions of the underlying CFTs.

  20. Molecular structure and effects of intermolecular hydrogen bonding on the vibrational spectrum of trifluorothymine, an antitumor and antiviral agent.

    PubMed

    C?rak, Ca?r?; Koç, Nurettin

    2012-09-01

    In the present work, the experimental and the theoretical vibrational spectra of trifluorothymine were investigated. The FT-IR (400-4000 cm(-1)) and ?-Raman spectra (100-4000 cm(-1)) of trifluorothymine in the solid phase were recorded. The geometric parameters (bond lengths and bond angles) and vibrational frequencies of the title molecule in the ground state were calculated using ab initio Hartree-Fock (HF) method and density functional theory (B3LYP) method with the 6-31++G(d,p) and 6-311++G(d,p) basis sets 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 results found in the literature. Vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of trifluorothymine was also simulated to evaluate the effect of intermolecular hydrogen bonding on the vibrational frequencies. It was observed that the stretching modes shifted to lower frequencies, while the in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular N-H?O hydrogen bonds. PMID:22643971

  1. 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)

  2. Investing in Bonds 

    E-print Network

    Johnson, Jason; Polk, Wade

    2002-08-12

    Bonds, which are issued by governments and corporations, can be an important part of one's investment portfolio. U.S. government bonds, municipal bonds, zero-coupon bonds and other types are described. Also learn strategies for coping with inflation...

  3. 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…

  4. 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.

  5. 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.

  6. 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…

  7. Geometrization of Quantum Mechanics

    E-print Network

    J. F. Carinena; J. Clemente-Gallardo; G. Marmo

    2007-03-23

    We show that it is possible to represent various descriptions of Quantum Mechanics in geometrical terms. In particular we start with the space of observables and use the momentum map associated with the unitary group to provide an unified geometrical description for the different pictures of Quantum Mechanics. This construction provides an alternative to the usual GNS construction for pure states.

  8. Reconciling Geometric Planners with

    E-print Network

    North Carolina at Chapel Hill, University of

    Search #12;#12;Manipulation #12;Manipulation Perception Systems Navigation Learning Parallelism Control 3;#12;#12;#12;Physical Manipulation Geometric Search Manipulation Perception Systems Navigation Learning Parallelism-away Sweep #12;Physical Manipulation Geometric Search Manipulation Perception Systems Navigation Learning

  9. Hierarchies of Geometric Entanglement

    E-print Network

    Blasone, M; De Siena, S; Illuminati, F

    2007-01-01

    We introduce and discuss a class of generalized geometric measures of entanglement. For pure quantum states of N elementary subsystems, these extended measures are defined as the distances from the sets of K-separable states (K = 2,...,N). In principle, the entire set of these geometric measures provides a complete quantification and a hierarchical ordering of the different bipartite and multipartite components of the global geometric entanglement, and allows to discriminate among the different contributions. The extended measures are applied in the study of entanglement for different classes of N-qubit pure states, including W, GHZ, and cluster states. In all these cases we introduce a general method for the computation of the different geometric entanglement com- ponents. The entire set of geometric measures establishes an ordering among the different types of bipartite and multipartite entanglement. In particular, it determines a consistent hierarchy between GHZ and W states, clarifying the original result...

  10. A geometric approach to support vector machine (SVM) classification.

    PubMed

    Mavroforakis, Michael E; Theodoridis, Sergios

    2006-05-01

    The geometric framework for the support vector machine (SVM) classification problem provides an intuitive ground for the understanding and the application of geometric optimization algorithms, leading to practical solutions of real world classification problems. In this work, the notion of "reduced convex hull" is employed and supported by a set of new theoretical results. These results allow existing geometric algorithms to be directly and practically applied to solve not only separable, but also nonseparable classification problems both accurately and efficiently. As a practical application of the new theoretical results, a known geometric algorithm has been employed and transformed accordingly to solve nonseparable problems successfully. PMID:16722171

  11. Astrometry without Geometric Distortion

    NASA Astrophysics Data System (ADS)

    Peng, Qingyu; Wang, Na; Peng, Huanwen; Zhang, Qingfeng; Li, Zhan

    2015-08-01

    Geometric distortion often exists in an astronomical CCD image even though a long focal length telescope is used. Two algorithms are developed to solve the pattern of geometric distortion and are tested based on many dithering CCD images observed at Yunnan Observatory using the 1 m telescope and 2.4 m telescope. Our results have shown that the astrometry for some moving targets such as an asteroid (Apophis) or a planetary natural satellite (Phoebe) is improved significantly after removing the geometric distortion in each CCD image. The algorithms can be also extended to applying to other telescopes for the purpose of precise astrometry or the check of positional propriety of a telescope.

  12. 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...

  13. 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…

  14. 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.

  15. 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.

  16. Global optimization of free and supported metallic nanoclusters

    NASA Astrophysics Data System (ADS)

    Rossi, Giulia; Baletto, Francesca; Mottet, Christine; Rapallo, Arnaldo; Ferrando, Riccardo

    2005-03-01

    The global optimization of free and supported metallic nanoclusters is performed by two different approaches: a genetic algorithm and a basin-hopping algorithm. Optimization has been applied to a series of different systems, such as free pure clusters (Pd, Ag, Cu, Ni), free binary clusters (AgPd, AgCu, AgNi) and supported Pd clusters on MgO(100) substrates. The metals are described by a many-body potential derived within a tight-binding scheme in the second moment approximation, while the interaction between the metallic atoms and the oxide is modeled by an analytical potential fitted to ab initio calculations. As regards free hetero-metallic clusters, the optimization has led to the location of a family of stable core-shell polyicosahedral structures. According to this geometrical configuration, clusters structures are made of several interpenetrating icosahedra, and the atoms with smaller radius (Cu, Ni, Pd) occupy volume sites while Ag atoms are placed on the cluster surface. Such a geometrical configuration agrees with the bond order-bond length correlation, that is typical of metallic interactions. Concerning supported Pd clusters, their structure modifications resulting from the interaction with the substrate are investigated as a function of clusters size.

  17. Hierarchies of Geometric Entanglement

    E-print Network

    M. Blasone; F. Dell'Anno; S. De Siena; F. Illuminati

    2008-05-28

    We introduce a class of generalized geometric measures of entanglement. For pure quantum states of $N$ elementary subsystems, they are defined as the distances from the sets of $K$-separable states ($K=2,...,N$). The entire set of generalized geometric measures provides a quantification and hierarchical ordering of the different bipartite and multipartite components of the global geometric entanglement, and allows to discriminate among the different contributions. The extended measures are applied to the study of entanglement in different classes of $N$-qubit pure states. These classes include $W$ and $GHZ$ states, and their symmetric superpositions; symmetric multi-magnon states; cluster states; and, finally, asymmetric generalized $W$-like superposition states. We discuss in detail a general method for the explicit evaluation of the multipartite components of geometric entanglement, and we show that the entire set of geometric measures establishes an ordering among the different types of bipartite and multipartite entanglement. In particular, it determines a consistent hierarchy between $GHZ$ and $W$ states, clarifying the original result of Wei and Goldbart that $W$ states possess a larger global entanglement than $GHZ$ states. Furthermore, we show that all multipartite components of geometric entanglement in symmetric states obey a property of self-similarity and scale invariance with the total number of qubits and the number of qubits per party.

  18. 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)

  19. Bond order analysis based on the Laplacian of electron density in fuzzy overlap space.

    PubMed

    Lu, Tian; Chen, Feiwu

    2013-04-11

    Bond order is an important concept for understanding the nature of a chemical bond. In this work, we propose a novel definition of bond order, called the Laplacian bond order (LBO), which is defined as a scaled integral of negative parts of the Laplacian of electron density in fuzzy overlap space. Many remarkable features of LBO are exemplified by numerous structurally diverse molecules. It is shown that LBO has a direct correlation with the bond polarity, the bond dissociation energy, and the bond vibrational frequency. The dissociation behavior of LBO of the N-N bond in N2 has been studied. Effects of the basis sets, theoretic methods, and geometrical conformations on LBO have also been investigated. Through comparisons, we discussed in details similarities and discrepancies among LBO, Mayer bond order, natural localized molecular orbital bond order, fuzzy overlap population, and electron density at bond critical points. PMID:23514314

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

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...bonds, separate bonds and additional bonding. 2580.412-20 Section 2580...DEPARTMENT OF LABOR TEMPORARY BONDING RULES UNDER THE EMPLOYEE RETIREMENT INCOME SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules §...

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

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...bonds, separate bonds and additional bonding. 2580.412-20 Section 2580...DEPARTMENT OF LABOR TEMPORARY BONDING RULES UNDER THE EMPLOYEE RETIREMENT INCOME SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules §...

  2. Wafer bonding for optoelectronic devices

    NASA Astrophysics Data System (ADS)

    Wu, Yew-Chung Sermon

    A periodic GaAs wafer-bonded structure has been proposed for quasi-phase-matched (QPM) second harmonic generation (SHG). The basic bonding technology involves elevated temperatures and pressures, which can lead to unacceptable optical losses and poor device performance. Three sources of optical losses were first found in this study: (1) decomposition at the exposed surface, (2) interfacial defects between the bonded wafers, and (3) bulk defects within the wafers. Bulk and surface defects were studied by measuring the optical transmission through single GaAs. It was found that an increase in bonding temperature and/or time led to an increase in the bulk and surface defects. An increase in the free hole concentration (thermal conversion) is though to be the major cause of the optical losses by a free carrier absorption mechanism. Since it was difficult to eliminate free-carrier and interfacial defect losses once they have formed because of diffusion kinetic limitations, processing conditions that minimized their formation were sought. In contrast, defects on the external surfaces caused by arsenic depletion resulting from incongruent evaporation were easily eliminated by repolishing. Interfacial defects were studied by introducing artificial voids into the interface region by bonding topographically-patterned GaAs wafers to unpatterned wafers. We found that the filling of these artificial voids depended strongly on the magnitude of the height of the surface irregularities on the wafer interfaces, as well as on temperature and time. Typically, when bonding temperature and time were increased, the interfacial defect density decreased. After bonding, two kinds of features corresponding to the newly bonded areas were observed by IR microscopy. These two features, having diamond and dendrite geometries, were shown to depend on both surface energy anisotropy and growth rate anisotropy. An investigation of the relationship between bonding conditions (temperature, time and pressure) and optical losses (resulting from bulk, interfacial and surface defects), has led to the development of an optimized process for preparing periodic GaAs structures useful in quasi-phase-matched second harmonic generation applications. With this bonding process, low optical loss (~0.1-0.3%/interface) wafer-bonded (110) structures (containing up to 40 layers) for practical device applications were first fabricated in this study.

  3. 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

  4. Real-Time Nondestructive Contact Resistance Method to Estimate Wire Bond Pull Force

    NASA Astrophysics Data System (ADS)

    Kurppa, R.; Seppänen, H.; Meriläinen, A.; Oinonen, M.; Hæggström, E.

    2010-02-01

    We estimate microelectronic wire bond quality nondestructively by measuring the contact resistance (CR) of the bond in situ during the bonding process. This measurement employs a Kelvin cross setup contacting the wedge, 25 um Al wire and an Au substrate. The results verify that the method can identify the bond process phases and predict whether the bonding was successful (94% classification accuracy). The method can be used for process control and optimization to create stronger bonds and higher yield.

  5. Wave function as geometric entity

    E-print Network

    B. I. Lev

    2011-02-10

    A new approach to the geometrization of the electron theory is proposed. The particle wave function is represented by a geometric entity, i.e., Clifford number, with the translation rules possessing the structure of Dirac equation for any manifold. A solution of this equation is obtained in terms of geometric treatment. Interference of electrons whose wave functions are represented by geometric entities is considered. New experiments concerning the geometric nature of electrons are proposed.

  6. 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.

  7. 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.

  8. PERPETUAL CONVERTIBLE BONDS MIHAI S^IRBU, IGOR PIKOVSKY, AND STEVEN E. SHREVE

    E-print Network

    Shreve, Steven E.

    PERPETUAL CONVERTIBLE BONDS MIHAI S^IRBU, IGOR PIKOVSKY, AND STEVEN E. SHREVE SIAM J. CONTROL OPTIM this situation with a perpetual convertible bond, i.e., a convertible coupon-paying bond without maturity. This model admits a relatively simple solution, under which the value of the perpetual convertible bond

  9. Strong, high-yield and low-temperature thermocompression silicon wafer-level bonding with gold

    NASA Astrophysics Data System (ADS)

    Taklo, M. M. V.; Storås, P.; Schjølberg-Henriksen, K.; Hasting, H. K.; Jakobsen, H.

    2004-07-01

    A systematic variation of process parameters for wafer-level thermocompression bonding with gold is presented for the first time. The process was optimized for high bond strength and high bond yield. In addition, the impact of the process temperature was investigated. A bond strength of 10.7 ± 4.5 MPa and a bond yield of 89% was achieved when bonding a wafer pair at 298 °C applying 4 MPa pressure for 45 min. A total of ten wafer pairs were bonded in a custom-built bonding tool and tested to establish the optimal process parameters. The bonded interface was found to be strong and dense enough for MEMS applications. The bonds were characterized using pull tests, transmission electron microscopy (TEM) and energy dispersive x-ray spectroscopy (EDS). The TEM inspections indicated that it is possible to form hermetic seals by using the presented bonding method.

  10. 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.

  11. Time and Geometric Quantization

    NASA Astrophysics Data System (ADS)

    Abrikosov, A. A.; Gozzi, E.; Mauro, D.

    In this paper we briefly review the functional version of the Koopman-von Neumann operatorial approach to classical mechanics. We then show that its quantization can be achieved by freezing to zero two Grassmannian partners of time. This method of quantization presents many similarities with the one known as Geometric Quantization.

  12. 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…

  13. 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…

  14. Geometric Sound Propagation

    E-print Network

    Lin, Ming C.

    paths Delay of sound Uses distance of path Attenuation from distance Inverse distance d c c: speedGeometric Sound Propagation Micah Taylor #12;Sound propagation Given a sound source in a scene arrive at the listener #12;Sound propagation Sound travels slow 344 m/s Specular reflections Perfect

  15. LABORATORY I: GEOMETRIC OPTICS

    E-print Network

    Minnesota, University of

    Lab I - 1 LABORATORY I: GEOMETRIC OPTICS In this lab, you will solve several problems related to the formation of optical images. Most of us have a great deal of experience with the formation of optical images this laboratory, you should be able to: · Describe features of real optical systems in terms of ray diagrams

  16. 1500 System Geometric Dictionary.

    ERIC Educational Resources Information Center

    Peloquin, Paul V.

    A general description is provided of the "geometric dictionary," a graphic display aid, used by the Computer-Assisted Instruction Laboratory at the Pennsylvania State University. The purpose of the description is to enable the reader to duplicate and use the dictionary on any cathode ray tube terminal of the IBM 1500 system. The major advantages…

  17. 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 calculate basically two model variations that can be seen as geometric extremes of all available input data. This does not lead to a probability distribution for the spatial position of geometric elements but it defines zones of major (or minor resp.) geometric variations due to data uncertainty. Both model evaluations are then analyzed together to give ranges of possible model outcomes in metric units.

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

    NASA Astrophysics Data System (ADS)

    Sengupta, Turbasu; Das, Susanta; Pal, Sourav

    2015-07-01

    Energetics and the in-depth reaction mechanism of the oxidative addition step of the cross-coupling reaction are studied in the framework of density functional theory (DFT) on aluminum nanoclusters. Aluminum metal in its bulk state is totally inactive towards carbon-halogen bond dissociation but selected Al nanoclusters (size ranging from 3 to 20 atoms) have shown a significantly lower activation barrier towards the oxidative addition reaction. The calculated energy barriers are lower than the gold clusters and within a comparable range with the conventional and most versatile Pd catalyst. Further investigations reveal that the activation energies and other reaction parameters are highly 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.Energetics and the in-depth reaction mechanism of the oxidative addition step of the cross-coupling reaction are studied in the framework of density functional theory (DFT) on aluminum nanoclusters. Aluminum metal in its bulk state is totally inactive towards carbon-halogen bond dissociation but selected Al nanoclusters (size ranging from 3 to 20 atoms) have shown a significantly lower activation barrier towards the oxidative addition reaction. The calculated energy barriers are lower than the gold clusters and within a comparable range with the conventional and most versatile Pd catalyst. Further investigations reveal that the activation energies and other reaction parameters are highly 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

  19. 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.

  20. 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: ?SR measurements on single crystals Oren Ofer, Amit Keren, Jess H Brewer, Tianheng H Han and Young S Lee Classical topological order in kagome ice Andrew J Macdonald, Peter C W Holdsworth and Roger G Melko Magnetic phase diagrams of classical triangular and kagome antiferromagnets M V Gvozdikova, P-E Melchy and M E Zhitomirsky The ordering of XY spin glasses Hikaru Kawamura Dynamic and thermodynamic properties of the generalized diamond chain model for azurite Andreas Honecker, Shijie Hu, Robert Peters and Johannes Richter Classical height models with topological order Christopher L Henley A search for disorder in the spin glass double perovskites Sr2CaReO6 and Sr2MgReO6 using neutron diffraction and neutron pair distribution function analysis J E Greedan, Shahab Derakhshan, F Ramezanipour, J Siewenie and Th Proffen Order and disorder in the local and long-range structure of the spin-glass pyrochlore, Tb2Mo2O7 Yu Jiang, Ashfia Huq, Corwin H Booth, Georg Ehlers, John E Greedan and Jason S Gardner The magnetic phase diagram of Gd2Sn2O7 R S Freitas and J S Gardner Calculation of the expected zero-field muon relaxation rate in the geometrically frustrated rare earth pyrochlore Gd2Sn2O7 antiferromagnet P A McClarty, J N Cosman, A G Del Maestro and M J P Gingras Magnetic frustration in the disordered pyrochlore Yb2GaSbO7 J A Hodges, P Dalmas de Réotier, A Yaouanc, P C M Gubbens, P J C King and C Baines Titanium pyrochlore magnets: how much can be learned from magnetization measurements? O A Petrenko, M R Lees and G Balakrishnan Local susceptibility of the Yb2Ti2O7 rare earth pyrochlore computed from a Hamiltonian with anisotropic exchange J D Thompson, P A McClarty and M J P Gingras Slow and static spin correlations in Dy2 + xTi2 - xO7 - ? J S Gardner, G Ehlers, P Fouquet, B Farago and J R Stewart The spin ice Ho2Ti2O7 versus the spin liquid Tb2Ti2O7: field-induced magnetic structures A P Sazonov, A Gukasov and I Mirebeau Magnetic monopole dynamics in spin ice L D C Jaubert and P C W Holdsworth

  1. 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.

  2. Prospects for Geometric Complexity Theory Prospects for Geometric Complexity Theory

    E-print Network

    Bürgisser, Peter

    connection between pure math and computer science! #12;Prospects for Geometric Complexity Theory Two majorProspects for Geometric Complexity Theory Prospects for Geometric Complexity Theory Peter B¨urgisser University of Paderborn 27th IEEE Conference on Computational Complexity Porto, June 28, 2012 #12;Prospects

  3. Cooperative effects between halogen bonds and pnicogen bonds in XBr???OFH2P???NH3 (X = F, Cl, CN, NC, OH, and NO2) complexes.

    PubMed

    Zhao, Qiang

    2016-01-01

    Quantum chemical calculations were carried out to investigate interplay between halogen bonds and pnicogen bonds in XBr???OFH2P???NH3 (X = F, Cl, CN, NC, OH, and NO2) complexes at the M06-2X/aug-cc-pVDZ level. Cooperative effects are observed when halogen bonds and pnicogen bonds coexist in the same complex. These effects are analyzed in terms of geometric and energetic properties of the complexes. The mechanism of cooperative effects is analyzed in view with molecular electrostatic potential, natural bond orbital, and density difference of molecule formation analyses. PMID:26645809

  4. 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

  5. Crystal-Like geometric modeling 

    E-print Network

    Landreneau, Eric Benjamin

    2006-08-16

    Crystals are natural phenomena that exhibit high degrees of order, symmetry, and recursion. They naturally form interesting and inspiring geometric shapes. This thesis provides geometric modeling techniques for creating shapes with crystallike...

  6. A Survey of Geometric Algebra

    E-print Network

    Harrington, J. Patrick

    .g., graphics, robotics, computer vision). This paper is an introduction to geometric algebra and geometric of their coordinates in some coordinate system. Efficient algorithms have recently been developed for implementing

  7. Geometric Metamorphosis Marc Niethammer12

    E-print Network

    Welch, Greg

    Geometric Metamorphosis Marc Niethammer12 , Gabriel L. Hart3 , Danielle F. Pace3 , Paul M. Vespa5, metamorphosis approaches have been developed which jointly estimate a space deformation and a change in image. For standard metamorphosis, geometric changes are not explicitly modeled. We propose a geometric metamorphosis

  8. 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.

  9. 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.

  10. Geometric Phase Optics

    E-print Network

    B. Zygelman

    2012-05-09

    We introduce, and propagate wave-packet solutions of, a single qubit system in which geometric gauge forces and phases emerge. We investigate under what conditions non-trivial gauge phenomena arise, and demonstrate how symmetry breaking is an essential ingredient for realization of the former. We illustrate how a "magnetic"-lens, for neutral atoms, can be constructed and find application in the manipulation and interferometry of cold atoms.

  11. Geometric Theory of Defects

    E-print Network

    M. O. Katanaev

    2005-12-05

    A description of dislocations and disclinations defects in terms of Riemann--Cartan geometry is given, with the curvature and torsion tensors being interpreted as the surface densities of the Frank and Burgers vectors, respectively. A new free energy expression describing the static distribution of defects is presented, and equations of nonlinear elasticity theory are used to specify the coordinate system. Application of the Lorentz gauge leads to equations for the principal chiral SO(3)-field. In the defect-free case, the geometric model reduces to elasticity theory for the displacement vector field and to a principal chiral SO(3)-field model for the spin structure. As illustrated by the example of a wedge dislocation, elasticity theory reproduces only the linear approximation of the geometric theory of defects. It is shown that the equations of asymmetric elasticity theory for the Cosserat media can also be naturally incorporated into the geometric theory as the gauge conditions. As an application of the theory, phonon scattering on a wedge dislocation is considered. The energy spectrum of impurity in the field of a wedge dislocation is also discussed.

  12. Essays on corporate bonds

    E-print Network

    Bao, Jack (Jack C.)

    2009-01-01

    This thesis consists of three empirical essays on corporate bonds, examining the role of both credit risk and liquidity. In the first chapter, I test the ability of structural models of default to price corporate bonds in ...

  13. 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.

  14. Acrylic mechanical bond tests

    SciTech Connect

    Wouters, J.M.; Doe, P.J.

    1991-02-01

    The tensile strength of bonded acrylic is tested as a function of bond joint thickness. 0.125 in. thick bond joints were found to posses the maximum strength while the acceptable range of joints varied from 0.063 in. to almost 0.25 in. Such joints are used in the Sudbury Neutrino Observatory.

  15. 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.

  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. Bonding thermoplastic polymers

    DOEpatents

    Wallow, Thomas I. (Fremont, CA); Hunter, Marion C. (Livermore, CA); Krafcik, Karen Lee (Livermore, CA); Morales, Alfredo M. (Livermore, CA); Simmons, Blake A. (San Francisco, CA); Domeier, Linda A. (Danville, CA)

    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.

  18. Hydrogen multicentre bonds

    NASA Astrophysics Data System (ADS)

    Janotti, Anderson; van de Walle, Chris G.

    2007-01-01

    The concept of a chemical bond stands out as a major development in the process of understanding how atoms are held together in molecules and solids. Lewis' classical picture of chemical bonds as shared-electron pairs evolved to the quantum-mechanical valence-bond and molecular-orbital theories, and the classification of molecules and solids in terms of their bonding type: covalent, ionic, van der Waals and metallic. Along with the more complex hydrogen bonds and three-centre bonds, they form a paradigm within which the structure of almost all molecules and solids can be understood. Here, we present evidence for hydrogen multicentre bonds-a generalization of three-centre bonds-in which a hydrogen atom equally bonds to four or more other atoms. When substituting for oxygen in metal oxides, hydrogen bonds equally to all the surrounding metal atoms, becoming fourfold coordinated in ZnO, and sixfold coordinated in MgO. These multicentre bonds are remarkably strong despite their large hydrogen-metal distances. The calculated local vibration mode frequency in MgO agrees with infrared spectroscopy measurements. Multicoordinated hydrogen also explains the dependence of electrical conductivity on oxygen partial pressure, resolving a long-standing controversy on the role of point defects in unintentional n-type conductivity of ZnO (refs 8-10).

  19. An algorithm for converting a virtual-bond chain into a complete polypeptide backbone chain

    NASA Technical Reports Server (NTRS)

    Luo, N.; Shibata, M.; Rein, R.

    1991-01-01

    A systematic analysis is presented of the algorithm for converting a virtual-bond chain, defined by the coordinates of the alpha-carbons of a given protein, into a complete polypeptide backbone. An alternative algorithm, based upon the same set of geometric parameters used in the Purisima-Scheraga algorithm but with a different "linkage map" of the algorithmic procedures, is proposed. The global virtual-bond chain geometric constraints are more easily separable from the loal peptide geometric and energetic constraints derived from, for example, the Ramachandran criterion, within the framework of this approach.

  20. Geometrical Mechanics on algebroids

    E-print Network

    K. Grabowska; J. Grabowski; P. Urba?ski

    2006-05-03

    A natural geometric framework is proposed, based on ideas of W. M. Tulczyjew, for constructions of dynamics on general algebroids. One obtains formalisms similar to the Lagrangian and the Hamiltonian ones. In contrast with recently studied concepts of Analytical Mechanics on Lie algebroids, this approach requires much less than the presence of a Lie algebroid structure on a vector bundle, but it still reproduces the main features of the Analytical Mechanics, like the Euler-Lagrange-type equations, the correspondence between the Lagrangian and Hamiltonian functions (Legendre transform) in the hyperregular cases, and a version of the Noether Theorem. Besides, the constructions seem to be more natural and simpler.

  1. Coherent Control of Bond Making.

    PubMed

    Levin, Liat; Skomorowski, Wojciech; Rybak, Leonid; Kosloff, Ronnie; Koch, Christiane P; Amitay, Zohar

    2015-06-12

    We demonstrate coherent control of bond making, a milestone on the way to coherent control of photoinduced bimolecular chemical reactions. In strong-field multiphoton femtosecond photoassociation experiments, we find the yield of detected magnesium dimer molecules to be enhanced for positively chirped pulses and suppressed for negatively chirped pulses. Our ab initio model shows that control is achieved by purification combined with chirp-dependent Raman transitions. Experimental closed-loop phase optimization using a learning algorithm yields an improved pulse that utilizes vibrational coherent dynamics in addition to chirp-dependent Raman transitions. Our results show that coherent control of binary photoreactions is feasible even under thermal conditions. PMID:26196798

  2. Geometric programming design of spacecraft protective structures to defeat earth-orbital space debris

    NASA Technical Reports Server (NTRS)

    Mog, Robert A.; Price, D. Marvin

    1990-01-01

    A unique methodology providing global optimization of spacecraft protective structures is presented. The Geometric Programming optimization technique, which has a long history of application to structural design problems, is employed to minimize spacecraft weight of protective structural systems exposed to meteoroid and space debris hypervelocity impacts. The space debris and meteoroid environment are defined followed by the formulation of the general weight objective function. The Wilkinson, Burch, and Nysmith hypervelocity impact predictor models are then used in example cases to display Geometric Programming capabilities. Results show that global nonlinear design optimization can be performed for hypervelocity impact models that follow the Geometric Programming form.

  3. Geometrical aspects of protein folding

    E-print Network

    Jay Banavar; Amos Maritan; Cristian Micheletti; Flavio Seno

    2001-05-10

    These lectures will address two questions. Is there a simple variational principle underlying the existence of secondary motifs in the native state of proteins? Is there a general approach which can qualitatively capture the salient features of the folding process and which may be useful for interpreting and guiding experiments? Here, we present three different approaches to the first question, which demonstrate the key role played by the topology of the native state of proteins. The second question pertaining to the folding dynamics of proteins remains a challenging problem -- a detailed description capturing the interactions between amino acids among each other and with the solvent is a daunting task. We address this issue building on the lessons learned in tackling the first question and apply the resulting method to the folding of various proteins including HIV protease and membrane proteins. The results that will be presented open a fascinating perspective: the two questions appear to be intimately related. The variety of results reported here all provide evidence in favour of the special criteria adopted by nature in the selection of viable protein folds, ranging from optimal compactness to maximum dynamical and geometrical accessibility of the native states.

  4. A Combinatorial Optimal Control Problem for Spacecraft Formation Reconfiguration

    E-print Network

    Leok, Melvin

    A Combinatorial Optimal Control Problem for Spacecraft Formation Reconfiguration Taeyoung Lee a geometrically exact and numerically efficient discrete optimal control method based on Lie group variational attitude dynamics under a central gravitational potential. Thus, finding the optimal control inputs

  5. 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.

  6. 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

  7. Geometric integration in Born-Oppenheimer molecular dynamics.

    PubMed

    Odell, Anders; Delin, Anna; Johansson, Börje; Cawkwell, Marc J; Niklasson, Anders M N

    2011-12-14

    Geometric integration schemes for extended Lagrangian self-consistent Born-Oppenheimer molecular dynamics, including a weak dissipation to remove numerical noise, are developed and analyzed. The extended Lagrangian framework enables the geometric integration of both the nuclear and electronic degrees of freedom. This provides highly efficient simulations that are stable and energy conserving even under incomplete and approximate self-consistent field (SCF) convergence. We investigate three different geometric integration schemes: (1) regular time reversible Verlet, (2) second order optimal symplectic, and (3) third order optimal symplectic. We look at energy conservation, accuracy, and stability as a function of dissipation, integration time step, and SCF convergence. We find that the inclusion of dissipation in the symplectic integration methods gives an efficient damping of numerical noise or perturbations that otherwise may accumulate from finite arithmetics in a perfect reversible dynamics. PMID:22168678

  8. Geometric integration in Born-Oppenheimer molecular dynamics

    NASA Astrophysics Data System (ADS)

    Odell, Anders; Delin, Anna; Johansson, Börje; Cawkwell, Marc J.; Niklasson, Anders M. N.

    2011-12-01

    Geometric integration schemes for extended Lagrangian self-consistent Born-Oppenheimer molecular dynamics, including a weak dissipation to remove numerical noise, are developed and analyzed. The extended Lagrangian framework enables the geometric integration of both the nuclear and electronic degrees of freedom. This provides highly efficient simulations that are stable and energy conserving even under incomplete and approximate self-consistent field (SCF) convergence. We investigate three different geometric integration schemes: (1) regular time reversible Verlet, (2) second order optimal symplectic, and (3) third order optimal symplectic. We look at energy conservation, accuracy, and stability as a function of dissipation, integration time step, and SCF convergence. We find that the inclusion of dissipation in the symplectic integration methods gives an efficient damping of numerical noise or perturbations that otherwise may accumulate from finite arithmetics in a perfect reversible dynamics.

  9. Bonded semiconductor substrate

    DOEpatents

    Atwater, Jr.; Harry A. (South Pasadena, CA), Zahler; James M. (Pasadena, CA)

    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.

  10. Void-free wafer-level adhesive bonding utilizing modified poly (diallyl phthalate)

    NASA Astrophysics Data System (ADS)

    Zhong, Fang; Dong, Tao; Yong, He; Yan, Su; Wang, Kaiying

    2013-12-01

    A new thermosetting polymer, modified poly (diallyl phthalate) (PDAP), is used as intermediate layer to realize a void-free wafer-level transfer bonding, in which the bonding interface contains patterned metal. Through glass-silicon bonding experiments, bonding defects are easily recognized with light microscopy. Three typical defect types are identified as: uneven flow defect, particle defect and bubble defect. The processing parameters, such as bonding pressure, pre-baking temperature, polymer thickness and coating conditions, have been optimized based on analysis of the defect formation. The optimized conditions have yielded a void-free wafer-level adhesive bonding. Then, the die shearing test indicates a good bonding strength. Additionally, the transfer bonding process is applied in SOI-silicon bonding as a practical example of MEMS fabrication.

  11. Reconstructing Geometrically Consistent Tree Structures from Noisy Images

    E-print Network

    Fua, Pascal

    to be produced. #12;(a) (b) (c) Fig. 2: Graph construction. (a) Original image. (b) Sampled points. The green- metric constraints while optimizing a global cost function. We use manually annotated retinal scans shape priors that enforce geometric consistency between pairs of graph nodes and edges. This involves

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Protein Folding: A New Geometric Analysis

    E-print Network

    Walter A. Simmons; Joel L. Weiner

    2008-09-11

    A geometric analysis of protein folding, which complements many of the models in the literature, is presented. We examine the process from unfolded strand to the point where the strand becomes self-interacting. A central question is how it is possible that so many initial configurations proceed to fold to a unique final configuration. We put energy and dynamical considerations temporarily aside and focus upon the geometry alone. We parameterize the structure of an idealized protein using the concept of a ribbon from differential geometry. The deformation of the ribbon is described by introducing a generic twisting Ansatz. The folding process in this picture entails a change in shape guided by the local amino acid geometry. The theory is reparamaterization invariant from the start, so the final shape is independent of folding time. We develop differential equations for the changing shape. For some parameter ranges, a sine-Gordon torsion soliton is found. This purely geometric waveform has properties similar to dynamical solitons. Namely: A threshold distortion of the molecule is required to initiate the soliton, after which, small additional distortions do not change the waveform. In this analysis, the soliton twists the molecule until bonds form. The analysis reveals a quantitative relationship between the geometry of the amino acids and the folded form.

  17. Chemical Bonding, again ionic bonding (in salts): transfer of e-

    E-print Network

    Zakarian, Armen

    Chemical Bonding, again · ionic bonding (in salts): transfer of e- · covalent bonding (organic molecules, non-metals): sharing e- · metallic bonding: electron pooling (delocalization) Lewis electron 3A 4A 5A 6A 7A 8A 2 3 (exceptions) #12;Ionic Bonding Model See sample problem 9.1 4Na + O2 ! 2Na2O

  18. Geometric Exponents of Dilute Loop Models

    NASA Astrophysics Data System (ADS)

    Provencher, Guillaume; Saint-Aubin, Yvan; Pearce, Paul A.; Rasmussen, Jørgen

    2012-04-01

    The fractal dimensions of the hull, the external perimeter and of the red bonds are measured through Monte Carlo simulations for dilute minimal models, and compared with predictions from conformal field theory and SLE methods. The dilute models used are those first introduced by Nienhuis. Their loop fugacity is ?=-2 \\cos(?/bar{kappa}) where the parameter bar{kappa} is linked to their description through conformal loop ensembles. It is also linked to conformal field theories through their central charges c(bar{kappa})=13-6(bar{kappa}+bar{kappa}^{-1}) and, for the minimal models of interest here, bar{kappa}=p/p' where p and p' are two coprime integers. The geometric exponents of the hull and external perimeter are studied for the pairs ( p, p')=(1,1),(2,3),(3,4),(4,5),(5,6),(5,7), and that of the red bonds for ( p, p')=(3,4). Monte Carlo upgrades are proposed for these models as well as several techniques to improve their speeds. The measured fractal dimensions are obtained by extrapolation on the lattice size H, V??. The extrapolating curves have large slopes; despite these, the measured dimensions coincide with theoretical predictions up to three or four digits. In some cases, the theoretical values lie slightly outside the confidence intervals; explanations of these small discrepancies are proposed.

  19. A Primer on Geometric Mechanics

    E-print Network

    Christian Lessig

    2012-06-14

    Geometric mechanics is usually studied in applied mathematics and most introductory texts are hence aimed at a mathematically minded audience. The present note tries to provide the intuition of geometric mechanics and to show the relevance of the subject for an understanding of "mechanics".

  20. 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 ?* and ?* 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.

  1. 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.

  2. The variational subspace valence bond method

    NASA Astrophysics Data System (ADS)

    Fletcher, Graham D.

    2015-04-01

    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. Optical bonding reinforced by femtosecond laser welding

    NASA Astrophysics Data System (ADS)

    Lacroix, Fabrice; Hélie, David; Vallée, Réal

    2011-09-01

    Previous work on welding of optical materials with ultrashort laser pulses demonstrated that the ability to achieve good contact between components limits the applicability of the technology to only very small components. We have overcome this limitation and demonstrated the capability to weld similar and dissimilar materials using femtosecond laser pulses over several mm2 areas between intimately contacted surfaces. Our joining process is realised in two steps. Firstly, the two pieces which must be joined are direct bonded, thereby inducing optical contact throughout the whole potentially bondable surface. Subsequently, the direct bond is reinforced by the inscription of femtosecond laser weld seams in a sealing pattern in order to enclose the central region of the direct bond. We demonstrated the applicability of this process to identical glass, dissimilar glass and glass-semiconductor. We also measured a mean threefold increase in joint strength for such bonds between fused silica windows with only a few welding seams. The final assembly is free from macroscopic surface deformations. Furthermore, by optimizing the laser exposure parameters, we can avoid microscopic defects inside and around weld seams. Finally, the bonding method does not alter the optical transmission properties at the center of the sealed region. As opposed to the use of adhesives, such bonds resist to important thermal constraints and are free from chemical contaminants, degassing and ageing. Potential applications may be considered in the fields of aerospace, laser manufacturing, semiconductor industry, solar cell protection, precision manufacturing and many more.

  4. 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

  5. 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)

  6. Mother-Child Bonding.

    ERIC Educational Resources Information Center

    Pearce, Joseph Chilton

    1994-01-01

    Examines the nature of mother-child bonding from the prenatal stage through early infancy, discussing how the mother's actions, even before birth, stimulate her child's senses. Explains the crucial role that physical contact, breastfeeding, and visual stimuli have on mother-child bonding in human and animal newborns. (MDM)

  7. 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.

  8. 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.

  9. 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.

  10. Geometric algebra, qubits, geometric evolution, and all that

    E-print Network

    Soiguine, Alexander M

    2015-01-01

    The earlier approach is used for description of qubits and geometric phase parameters, the things critical in the area of topological quantum computing. The used tool, Geometric (Clifford) Algebra is the most convenient formalism for that case. Generalization of formal complex plane to an an arbitrary plane in three dimensions and of usual Hopf fibration to the map generated by an arbitrary unit value element of even sub-algebra of the three-dimensional Geometric Algebra are resulting in more profound description of qubits compared to quantum mechanical Hilbert space formalism.

  11. Geometric algebra, qubits, geometric evolution, and all that

    E-print Network

    Alexander M. Soiguine

    2015-02-07

    The earlier approach is used for description of qubits and geometric phase parameters, the things critical in the area of topological quantum computing. The used tool, Geometric (Clifford) Algebra is the most convenient formalism for that case. Generalization of formal complex plane to an an arbitrary plane in three dimensions and of usual Hopf fibration to the map generated by an arbitrary unit value element of even sub-algebra of the three-dimensional Geometric Algebra are resulting in more profound description of qubits compared to quantum mechanical Hilbert space formalism.

  12. 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

  13. 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.

  14. Optimization of heat exchanger for indirectly heated water heater

    NASA Astrophysics Data System (ADS)

    Kaduchová, Katarína; Lenhard, Richard; Janda?ka, Jozef

    2012-04-01

    Due to the optimization of geometrical parameters of the heat exchanger in indirect heated water heaters created a mathematical model of heating hot water, by which I have subsequently made the simulation of the device to change its geometrical parameters. Based on these results, the impacts of the geometrical parameters affect the performance of the heat exchanger. The results of the optimization to create a CFD model which watched at the behavior of optimized heat exchanger for indirect heated water heaters.

  15. Ultrasonic friction power during Al wire wedge-wedge bonding

    NASA Astrophysics Data System (ADS)

    Shah, A.; Gaul, H.; Schneider-Ramelow, M.; Reichl, H.; Mayer, M.; Zhou, Y.

    2009-07-01

    Al wire bonding, also called ultrasonic wedge-wedge bonding, is a microwelding process used extensively in the microelectronics industry for interconnections to integrated circuits. The bonding wire used is a 25?m diameter AlSi1 wire. A friction power model is used to derive the ultrasonic friction power during Al wire bonding. Auxiliary measurements include the current delivered to the ultrasonic transducer, the vibration amplitude of the bonding tool tip in free air, and the ultrasonic force acting on the bonding pad during the bond process. The ultrasonic force measurement is like a signature of the bond as it allows for a detailed insight into mechanisms during various phases of the process. It is measured using piezoresistive force microsensors integrated close to the Al bonding pad (Al-Al process) on a custom made test chip. A clear break-off in the force signal is observed, which is followed by a relatively constant force for a short duration. A large second harmonic content is observed, describing a nonsymmetric deviation of the signal wave form from the sinusoidal shape. This deviation might be due to the reduced geometrical symmetry of the wedge tool. For bonds made with typical process parameters, several characteristic values used in the friction power model are determined. The ultrasonic compliance of the bonding system is 2.66?m/N. A typical maximum value of the relative interfacial amplitude of ultrasonic friction is at least 222nm. The maximum interfacial friction power is at least 11.5mW, which is only about 4.8% of the total electrical power delivered to the ultrasonic generator.

  16. 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.

  17. Some geometric aspects of variational calculus in constrained mechanics

    E-print Network

    Xavier Gracia; Jesus Marin-Solano; Miguel-C. Munoz-Lecanda

    2000-04-13

    We give a geometric description of variational principles in mechanics, with special attention to constrained systems. For the general case of nonholonomic constraints, a unified variational approach is given, and the equations of motion of both vakonomic and nonholonomic frameworks are obtained. We study specifically the existence of infinitesimal variations in both cases. When the constraints are integrable, both formalisms are compared and it is proved that they coincide. As examples, we give geometric formulations of the equations of motion for the case of optimal control and for vakonomic and nonholonomic mechanics with constraints linear in the velocities.

  18. Wafer-Level Thermocompression Bonds

    E-print Network

    Tsau, Christine H.

    Thermocompression bonding of gold is a promising technique for achieving low temperature, wafer-level bonding without the application of an electric field or complicated pre-bond cleaning procedure. The presence of a ductile ...

  19. 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.

  20. 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.

  1. Geometrical Interpretations of Gauge Theory

    E-print Network

    Alsid, Scott T

    2013-01-01

    We seek common ground with three camps that have developed geometric interpretations of gauge theory over the last century: those who use the compactified dimensions of Kaluza-Klein theory, those who use an embedding to represent gauge fields, and those who use a hidden spatial metric to replace the gauge fields. This paper seeks to directly relate the geometrical interpretations of the three camps. Each camp attempts to isolate the gauge-invariant core responsible for the resulting physics. By providing a mapping between geometrical interpretations, physicists can borrow and share results between each camp. In addition, we provide visual examples of the geometrical representation of each camp for simple electric and magnetic fields of a U(1) gauge theory.

  2. Geometric algorithms for reconfigurable structures

    E-print Network

    Benbernou, Nadia M

    2011-01-01

    In this thesis, we study three problems related to geometric algorithms of reconfigurable structures. In the first problem, strip folding, we present two universal hinge patterns for a strip of material that enable the ...

  3. Geometrical optics in general relativity

    E-print Network

    A. Loinger

    2006-09-19

    General relativity includes geometrical optics. This basic fact has relevant consequences that concern the physical meaning of the discontinuity surfaces propagated in the gravitational field - as it was first emphasized by Levi-Civita.

  4. Waldyr Muniz Oliva Geometric Mechanics

    E-print Network

    Natário, José

    Waldyr Muniz Oliva Geometric Mechanics February 1, 2002 Springer Berlin Heidelberg New mechanics : : : : : : : : : : : : : : : : : : : : : : : : : : : : : : : : : : : : : 51 4.1 Galilean space-time structure and Newton equations . . . . . . . . 51 4.2 Critical remarks on Newtonian mechanics

  5. 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.

  6. Gold Thermocompression Wafer Bonding

    E-print Network

    Spearing, S. Mark

    Thermocompression bonding of gold is a promising technique for the fabrication and packaging microelectronic and MEMS devices. The use of a gold interlayer and moderate temperatures and pressures results in a hermetic, ...

  7. Characterization of anodic bonding

    E-print Network

    Tudryn, Carissa Debra, 1978-

    2004-01-01

    Anodic bonding is a common process used in MicroElectroMechanical Systems (MEMS) device fabrication and packaging. Polycrystalline chemical vapor deposited (CVD) silicon carbide (SiC) is emerging as a new MEMS device and ...

  8. Water's Hydrogen Bond Strength

    E-print Network

    Martin Chaplin

    2007-06-10

    Water is necessary both for the evolution of life and its continuance. It possesses particular properties that cannot be found in other materials and that are required for life-giving processes. These properties are brought about by the hydrogen bonded environment particularly evident in liquid water. Each liquid water molecule is involved in about four hydrogen bonds with strengths considerably less than covalent bonds but considerably greater than the natural thermal energy. These hydrogen bonds are roughly tetrahedrally arranged such that when strongly formed the local clustering expands, decreasing the density. Such low density structuring naturally occurs at low and supercooled temperatures and gives rise to many physical and chemical properties that evidence the particular uniqueness of liquid water. If aqueous hydrogen bonds were actually somewhat stronger then water would behave similar to a glass, whereas if they were weaker then water would be a gas and only exist as a liquid at sub-zero temperatures. The overall conclusion of this investigation is that water's hydrogen bond strength is poised centrally within a narrow window of its suitability for life.

  9. 30 CFR 281.33 - Bonds and bonding requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...Resources 2 2011-07-01 2011-07-01 false Bonds and bonding requirements. 281.33 Section 281.33 Mineral Resources...CONTINENTAL SHELF Financial Considerations § 281.33 Bonds and bonding requirements. (a) When the leasing notice...

  10. 30 CFR 281.33 - Bonds and bonding requirements.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...Resources 2 2010-07-01 2010-07-01 false Bonds and bonding requirements. 281.33 Section 281.33 Mineral Resources...CONTINENTAL SHELF Financial Considerations § 281.33 Bonds and bonding requirements. (a) When the leasing notice...

  11. Solid-Liquid Interdiffusion Bonding of Silicon Carbide to Steel for High Temperature MEMS Sensor Packaging and Bonding

    NASA Astrophysics Data System (ADS)

    Chan, Matthew Wei-Jen

    Complex engineering systems ranging from automobile engines to geothermal wells require specialized sensors to monitor conditions such as pressure, acceleration and temperature in order to improve efficiency and monitor component lifetime in what may be high temperature, corrosive, harsh environments. Microelectromechanical systems (MEMS) have demonstrated their ability to precisely and accurately take measurements under such conditions. The systems being monitored are typically made from metals, such as steel, while the MEMS sensors used for monitoring are commonly fabricated from silicon, silicon carbide and aluminum nitride, and so there is a sizable thermal expansion mismatch between the two. For these engineering applications the direct bonding of MEMS sensors to the components being monitored is often required. This introduces several challenges, namely the development of a bond that is capable of surviving high temperature harsh environments while mitigating the thermally induced strains produced during bonding. This project investigates the development of a robust packaging and bonding process, using the gold-tin metal system and the solid-liquid interdiffusion (SLID) bonding process, to join silicon carbide substrates directly to type-316 stainless steel. The SLID process enables bonding at lower temperatures while producing a bond capable of surviving higher temperatures. Finite element analysis was performed to model the thermally induced strains generated in the bond and to understand the optimal way to design the bond. The cross-sectional composition of the bonds has been analyzed and the bond strength has been investigated using die shear testing. The effects of high temperature aging on the bond's strength and the metallurgy of the bond were studied. Additionally, loading of the bond was performed at temperatures over 415 °C, more than 100 °C, above the temperature used for bonding, with full survival of the bond, thus demonstrating the benefit of SLID bonding for high temperature applications. Lastly, this dissertation provides recommendations for improving the strength and durability of the bond at temperatures of 400 °C and provides the framework for future work in the area of high temperature harsh environment MEMS packaging that would take directly bonded MEMS to temperatures of 600 °C and beyond.

  12. 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.

  13. 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.

  14. 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

  15. 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

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

    E-print Network

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

    2015-10-11

    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.

  17. 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

  18. 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.

  19. A Geometric Approach to Quantum State Separation

    E-print Network

    Emilio Bagan; Vadim Yerokhin; Andi Shehu; Edgar Feldman; Janos A. Bergou

    2015-06-27

    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.

  20. Adhesive for composite bonding

    SciTech Connect

    Lyon, R.E.; Walkup, C.M.; Matthews, J.T.

    1989-11-27

    Adhesive bonding is a viable option for structural joining of carbon fiber reinforced epoxy composites. Recent examples from laboratory programs include a composite tube joined to a flared composite collar (skirt) to provide a means for mechanical attachment. Another application involves adhesive bonding of a close-tolerance composite ring to the inside of a tapered, cylindrical composite penetrator case in order to provide a load bearing surface for prestressing the internal package. The adhesive bond in both of these applications is the critical load bearing component and must sustain large shearing stresses in order to maintain the structural integrity and viability of the part. The ideal adhesive would be a low viscosity (<10 poise) liquid with a long pot life, good wetting characteristics and high ultimate shear strength when cured at moderate (<50{degree}C) temperature. An adhesive with these characteristics would allow for the production of defect-free bonds by capillary wetting or squeezing flow of the adhesive into the narrow (.005{double prime}) annular space between the concentric composite parts. Since adhesives possessing these characteristics were not known to be available commercially, candidate materials were evaluated for this application. In this paper we present bond shear strength data and selected physical properties for some epoxy adhesive formulations. 7 refs., 5 figs., 2 tabs.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. Insurance and bonding

    SciTech Connect

    Katzman, M.T.

    1989-01-01

    Societal risk management in industrial democracies relies upon mechanisms of prior restraint rather than on responsibility for the consequence of accidents. The evolution of risk management from one based upon private, voluntary standard of risk management from one based upon private, voluntary standard setting to one based upon restraint is reviewed. While insurance and bonding historically have played a major role in private management of catastrophic risks, their role has been underutilized in the current, restraint-based mode. The conditions under the insurance and bonding that can serve as a tool for risk regulation are illustrated in the arena of toxic pollution risks. 45 refs., 1 fig.

  6. Qualifying Energy Conservation Bonds 

    E-print Network

    Briggs, J.

    2013-01-01

    ) of the interest cost associated with the transaction • Typical effective interest rates anywhere from 0%-2% depending on credit strength • Bond issuance or private placement is acceptable 2 What are QECB’s ESL-KT-13-12-39 CATEE 2013: Clean Air Through Energy... Bonds (QECB’s) CATEE Conference December 18, 2013 ESL-KT-13-12-39 CATEE 2013: Clean Air Through Energy Efficiency Conference, San Antonio, Texas Dec. 16-18 • Originally authorized by the Energy Improvement & Extension Act of 2008 • American Recovery...

  7. First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 2. Chemical Bonding Aurora Costales,, Anil K. Kandalam, A. Martin Pendas,, M. A. Blanco,*,,

    E-print Network

    Pandey, Ravi

    First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 2. Chemical Bonding Aurora Form: February 17, 2000 In this paper we study the chemical bonding of the small (monomer, triatomic of the chemical bonding in these systems emerges from the geometrical ar- rangements found. The most stable

  8. 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.

  9. 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.

  10. 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. __________________________________________________

  11. 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

  12. 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.

  13. Geometrical and FEA study on Millipede Forming

    NASA Astrophysics Data System (ADS)

    Kong, Lingran; Tang, Di; Ding, Shichao; Zhang, Yuankun

    2013-12-01

    Millipede Forming is an innovative sheet metal forming approach that has been proposed and developed in Australia. U-channels, Z-channels or tubular products can be made by Millipede Forming. While a strip moves through an optimal transitional surface between the entry to exit of a forming stand, the redundant longitudinal membrane strain can be significantly reduced compared to the conventional roll forming, which is the essential principle to obtaining high quality products. The incremental forming process studied has demonstrated major advantages on space efficiency, power consumption and materials sensitivities. The purpose of this study is to investigate the effects of main geometrical parameters and their optimization, in order to minimize the redundant longitudinal strains into elastic to avoid the redundant plastic deformations at flange during forming. In this study, a mild-steel U-channel sample with 10 mm flange width, fabricated by Millipede Forming in a forming length of 200 mm has been studied. Theoretical longitudinal membrane strains at profile's edge of different transitional surfaces and downhill pass are also analyzed. The results showed that obtaining an optimal transitional surface is essential and necessary in controlling the peak longitudinal strain to an acceptable amount and that by increasing downhill pass, longitudinal strain can be significantly reduced. The optimized transitional surface and downhill pass flow were simulated by Abaqus, and the peak longitudinal strain was finally less than 0.2% through a very short forming length of 200 mm. The results prove that Millipede Forming can achieve a better product quality in a much shorter forming distance than conventional roll forming.

  14. Anisotropy of bond projections in simple crystal structures

    NASA Astrophysics Data System (ADS)

    Šim?nek, Antonín

    2011-10-01

    The nearest-neighbor bond distances represented by the stick-and-ball model of a crystal are projected into planes in order to find the directions from where the projections have maximum or minimum values. The projection directions and their corresponding values of the maxima and minima are presented for simple cubic, body-centered-cubic, face-centered-cubic, sodium chloride, zinc sulfide, diamond, fluorite, cesium chloride, hexagonal close-packed, tungsten carbide, wurtzite, graphite, graphene, and aluminum boride structures. The purely geometrical considerations quantitatively reflect an anisotropy of the bond projections and provide data for a large amount of materials crystallizing in these structures. The presented results can be applied to the description, analysis, and understanding of anisotropic effects related to bond projection in 14 crystal structures. The application of hardness anisotropy for BN, SiC, and TiC is shown.

  15. The relative roles of electrostatics and dispersion in the stabilization of halogen bonds.

    PubMed

    Riley, Kevin E; Hobza, Pavel

    2013-11-01

    In this work we highlight recent work aimed at the characterization of halogen bonds. Here we discuss the origins of the ?-hole, the modulation of halogen bond strength by changing of neighboring chemical groups (i.e. halogen bond tuning), the performance of various computational methods in treating halogen bonds, and the strength and character of the halogen bond, the dihalogen bond, and two hydrogen bonds in bromomethanol dimers (which serve as model complexes) are compared. Symmetry adapted perturbation theory analysis of halogen bonding complexes indicates that halogen bonds strongly depend on both dispersion and electrostatics. The electrostatic interaction that occurs between the halogen ?-hole and the electronegative halogen bond donor is responsible for the high degree of directionality exhibited by halogen bonds. Because these noncovalent interactions have a strong dispersion component, it is important that the computational method used to treat a halogen bonding system be chosen very carefully, with correlated methods (such as CCSD(T)) being optimal. It is also noted here that most forcefield-based molecular mechanics methods do not describe the halogen ?-hole, and thus are not suitable for treating systems with halogen bonds. Recent attempts to improve the molecular mechanics description of halogen bonds are also discussed. PMID:24067893

  16. Optimal domain decomposition strategies

    NASA Technical Reports Server (NTRS)

    Yoon, Yonghyun; Soni, Bharat K.

    1995-01-01

    The primary interest of the authors is in the area of grid generation, in particular, optimal domain decomposition about realistic configurations. A grid generation procedure with optimal blocking strategies has been developed to generate multi-block grids for a circular-to-rectangular transition duct. The focus of this study is the domain decomposition which optimizes solution algorithm/block compatibility based on geometrical complexities as well as the physical characteristics of flow field. The progress realized in this study is summarized in this paper.

  17. Photochemical tissue bonding

    DOEpatents

    Redmond, Robert W. (Brookline, MA); Kochevar, Irene E. (Charlestown, MA)

    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.

  18. Dialogic Bonds and Boundaries.

    ERIC Educational Resources Information Center

    Khawaja, Mabel

    A study of literature cannot be divorced from cultural contexts, nor can it ignore the humanist vision in interpreting literary texts. To discover dialogic bonds and boundaries between the reader and the text, or the writer and the audience, English classes should have two objectives: (1) to explore the diversity of perspectives, and (2) to relate…

  19. 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...

  20. Selective Permeability Jackie Bonds

    E-print Network

    Alford, Simon

    ;Selective Permeability ­ What · Selective permeability means that the cell membrane has some control overSelective Permeability Jackie Bonds January 23, 2012 Neus 586 Monday, January 30, 2012 #12 what can cross it, so that only certain molecules either enter or leave the cell. Monday, January 30

  1. Density functional theory study of nitrogen-14 nuclear quadrupole coupling parameters of L-histidine: hydrogen-bonded system.

    PubMed

    Elmi, Maryam Mitra; Kaykhaei, Abbas Ali; Elmi, Fatemeh

    2012-04-01

    The calculations of nitrogen-14 nuclear quadrupole parameters, nuclear quadrupole coupling constant, ?, and asymmetry parameter, ?, of L-His were done in two distinct environments: one as a free fully optimized molecule, an isolated molecule with the geometrical parameters taken from X-ray, and the other in the orthorhombic and monoclinic solid states. The most probable interacting molecules with the central molecule in the crystalline phase were considered in the hexameric clusters to include hydrogen-bonding effects in the calculations. The computations were performed with PW91P86/6-31++G** and B3LYP6-31++G** methods using the Gaussian 98 program. The good agreement between the nitrogen-14 quadrupole parameters of the free His and imidazole molecules with their microwave available data demonstrates that the applied level of theory and the 6-31++G** basis set are suitable to obtain reliable electric field gradient values. In the solid state, the shifts of quadrupole coupling parameters from the monomer to the solid phase are reasonably well reproduced for the amino and imino sites of imidazole ring in a hexameric cluster. That implies the fact that the hexameric cluster worked effectively to generate the results which are compatible with the experiment. The quadrupole coupling constant values of -N(+) H(3) group are in fair agreement with the experiment. This discrepancy is due to the absences of vibrational effects and the rotation of -N(+) H(3) group around N-C(?) bond. PMID:22415677

  2. Polymer representations and geometric quantization

    E-print Network

    Miguel Campiglia

    2011-11-02

    Polymer representations of the Weyl algebra of linear systems provide the simplest analogues of the representation used in loop quantum gravity. The construction of these representations is algebraic, based on the Gelfand-Naimark-Segal construction. Is it possible to understand these representations from a Geometric Quantization point of view? We address this question for the case of a two dimensional phase space.

  3. 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…

  4. New developments in geometric mechanics

    E-print Network

    A. J. Bruce; K. Grabowska; J. Grabowski; P. Urbanski

    2015-10-01

    We review the concept of a graded bundle, which is a generalisation of a vector bundle, its linearisation, and a double structure of this kind. We then present applications of these structures in geometric mechanics including systems with higher order Lagrangian and the Plateau problem.

  5. 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…

  6. Algorithmic + Geometric characterization of CAR

    E-print Network

    Gill, Richard D.

    Algorithmic + Geometric characterization of CAR (Coarsening at Random) Richard Gill - Utrecht. Statist. to appear #12;Underlying data Observation Observed data observe Coarsening X = x E law(X) law but independent) CCAR 3 door problem X=door with car behind Y=two doors still closed = {your first choice, other

  7. 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.

  8. Thermal assisted ultrasonic bonding method for poly(methyl methacrylate) (PMMA) microfluidic devices.

    PubMed

    Zhang, Zongbo; Wang, Xiaodong; Luo, Yi; He, Shengqiang; Wang, Liding

    2010-06-15

    A thermal assisted ultrasonic bonding method for poly(methyl methacrylate) (PMMA) microfluidic devices has been presented. The substrates were preheated to 20-30 degrees C lower than glass transition temperature (T(g)) of the polymer. Then low amplitude ultrasonic vibration was employed to generate facial heat at the interface of PMMA substrates. PMMA microfluidic chips were successfully bonded with bulk temperature well below T(g) of the material and with pressure two orders lower than conventional thermal bonding, which was of great benefit to reduce the deformation of microstructures. The bonding process was optimized by Taguchi method. This bonding technique showed numerous superiorities including high bonding strength (0.95MPa), low dimension loss (0.3-0.8%) and short bonding time. Finally, a micromixer was successfully bonded by this method and its performance was demonstrated. PMID:20441903

  9. Re-evaluation of the bond length-bond strength rule: The stronger bond is not always the shorter bond.

    PubMed

    Kraka, Elfi; Setiawan, Dani; Cremer, Dieter

    2016-01-01

    A set of 42 molecules with N-F, O-F, N-Cl, P-F, and As-F bonds has been investigated in the search for potential bond anomalies, which lead to reverse bond length-bond strength (BLBS) relationships. The intrinsic strength of each bond investigated has been determined by the local stretching force constant obtained at the CCSD(T)/aug-cc-pVTZ level of theory. N-F or O-F bond anomalies were found for fluoro amine radicals, fluoro amines, and fluoro oxides, respectively. A rationale for the deviation from the normal Badger-type inverse BLBS relation is given and it is shown that electron withdrawal accompanied by strong orbital contraction and bond shortening is one of the prerequisites for a bond anomaly. In the case of short electron-rich bonds such as N-F or O-F, anomeric delocalization of lone pair electrons in connection with lone pair repulsion are decisive whether a bond anomaly can be observed. This is quantitatively assessed with the help of the CCSD(T) local stretching force constants, CCSD(T) charge distributions, and G4 bond dissociation energies. Bond anomalies are not found for fluoro phosphines and fluoro arsines because the bond weakening effects are no longer decisive. © 2015 Wiley Periodicals, Inc. PMID:26515027

  10. Terminology Bonds selling at par are called par bonds.

    E-print Network

    Lyuu, Yuh-Dauh

    payment date C(1 - ) coupon payment date -(1 - )% -% c 2014 Prof. Yuh-Dauh Lyuu, National Taiwan. · There are 60 days between July 1, 1993, and the next coupon date, September 1, 1993. c 2014 Prof. Yuh-Dauh Lyuu premium bonds. · Bonds selling at a discount are called discount bonds. c 2014 Prof. Yuh-Dauh Lyuu

  11. Bond properties of liquid adhesive

    SciTech Connect

    Bohnert, G.W.

    1982-10-01

    Studies were conducted on a liquid adhesive used to bond circuit laminates to rigid plastic components. Areas investigated include: adhesive formulation, factors influencing bond strength, laminate cleaning, and automated adhesive application.

  12. 46 CFR Sec. 10 - Bonds.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...Shipping 8 2010-10-01 2010-10-01 false Bonds. Sec. 10 Section 10 Shipping MARITIME ADMINISTRATION, DEPARTMENT...AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a) All bids in response to an...

  13. 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.

  14. 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.

  15. Femtosecond quantum control of molecular bond formation.

    PubMed

    Nuernberger, Patrick; Wolpert, Daniel; Weiss, Horst; Gerber, Gustav

    2010-06-01

    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

  16. 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.

  17. EVOLUTION EQUATIONS AND GEOMETRIC FUNCTION THEORY IN

    E-print Network

    Harris, Larry

    of papers Ky Fan developed a geometric theory of holo- morphic functions of proper contractions on Hilbert Introduction In a series of papers Ky Fan [14]­[17] developed a geometric theory of holo- morphic functions

  18. 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...

  19. 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...

  20. 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...

  1. 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...

  2. 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...

  3. 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.

  4. STM Images and Chemisorption Bond Parameters of Acetylene, Ethynyl, and Dicarbon Chemisorbed on Copper

    E-print Network

    Persson, Mats

    STM Images and Chemisorption Bond Parameters of Acetylene, Ethynyl, and Dicarbon Chemisorbed parameters and STM images for C2H2, C2H, and C2 on Cu(001). The geometric and electronic structure, and vibrational energies were obtained from density functional calculations. The calculated STM images were

  5. Copper-Mediated Remote C-H Bond Chalcogenation of Quinolines on the C5 Position.

    PubMed

    Zhu, Longzhi; Qiu, Renhua; Cao, Xin; Xiao, Song; Xu, Xinhua; Au, Chak-Tong; Yin, Shuang-Feng

    2015-11-20

    An efficient and convenient method is developed for the remote C-H bond chalcogenation of 8-aminoquinoline scaffolds on the C5 position that is geometrically inaccessible. The protocol makes use of inexpensive CuBr2 as mediator and shows good tolerance toward numerous disulfides/diselenides and aliphatic amides, giving the corresponding products in good to excellent yield. PMID:26562356

  6. Chapter 3 Geometrical Optics Gabriel Popescu

    E-print Network

    Gilbert, Matthew

    Chapter 3 ­ Geometrical Optics Gabriel Popescu University of Illinois at UrbanaChampaigny p g ECE 460 ­ Optical Imaging Introduction to geometrical optics and Fourier optics ­ Objectives g p p precedes Microscopy 2Chapter 3: Imaging #12;3.1 Geometrical Optics ECE 460 ­ Optical Imaging

  7. SEMICLASSICAL WIGNER FUNCTION AND GEOMETRICAL OPTICS

    E-print Network

    Filippas, Stathis

    SEMICLASSICAL WIGNER FUNCTION AND GEOMETRICAL OPTICS STATHIS FILIPPAS AND GEORGE N. MAKRAKIS geometrical optics, but, like the WKB method, it fails at caustics. To remedy this deficiency we employ caustic, which evolve naturally from suitable initial data. Key words. geometrical optics, Wigner equation

  8. 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,…

  9. Wooden Geometric Puzzles: Design and Hardness Proofs

    E-print Network

    Utrecht, Universiteit

    Wooden Geometric Puzzles: Design and Hardness Proofs Helmut Alt Hans L. Bodlaender Marc van Kreveld Technical Report UU-CS-2007-009 www.cs.uu.nl ISSN: 0924-3275 #12;Wooden Geometric Puzzles: Design, Utrecht University. {hansb,marc,gerard}@cs.uu.nl Abstract We discuss some new geometric puzzles

  10. Multiphase Computations in Geometrical Optics Olof Runborg

    E-print Network

    Ferguson, Thomas S.

    Multiphase Computations in Geometrical Optics Olof Runborg Royal Institute of Technology Department. The tra­ ditional geometrical optics pair of equations suffer from the fact that the class of physically. The geometrical optics type asymptotic expansions are used 1 #12; in many applications, for example

  11. 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)…

  12. CRYSTAL-LIKE GEOMETRIC MODELING ERIC LANDRENEAU

    E-print Network

    Keyser, John

    CRYSTAL-LIKE GEOMETRIC MODELING A Thesis by ERIC LANDRENEAU Submitted to the Office of Graduate OF SCIENCE May 2005 Major Subject: Computer Science #12;CRYSTAL-LIKE GEOMETRIC MODELING A Thesis by ERIC Science #12;iii ABSTRACT Crystal-Like Geometric Modeling. (May 2005) Eric Landreneau, B.S., Texas A

  13. 29 CFR 2580.412-19 - Term of the bond, discovery period, other bond clauses.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 9 2010-07-01 2010-07-01 false Term of the bond, discovery period, other bond clauses... SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules § 2580.412-19 Term of the bond, discovery period, other bond clauses. (a) Term of the bond. The amount of any required bond must in each...

  14. A wire scanning based method for geometric calibration of high resolution CT system

    NASA Astrophysics Data System (ADS)

    Jiang, Ruijie; Li, Guang; Gu, Ning; Chen, Gong; Luo, Shouhua

    2015-03-01

    This paper is about geometric calibration of the high resolution CT (Computed Tomography) system. Geometric calibration refers to the estimation of a set of parameters that describe the geometry of the CT system. Such parameters are so important that a little error of them will degrade the reconstruction images seriously, so more accurate geometric parameters are needed in the higher-resolution CT systems. But conventional calibration methods are not accurate enough for the current high resolution CT system whose resolution can reach sub-micrometer or even tens of nanometers. In this paper, we propose a new calibration method which has higher accuracy and it is based on the optimization theory. The superiority of this method is that we build a new cost function which sets up a relationship between the geometrical parameters and the binary reconstruction image of a thin wire. When the geometrical parameters are accurate, the cost function reaches its maximum value. In the experiment, we scanned a thin wire as the calibration data and a thin bamboo stick as the validation data to verify the correctness of the proposed method. Comparing with the image reconstructed with the geometric parameters calculated by using the conventional calibration method, the image reconstructed with the parameters calculated by our method has less geometric artifacts, so it can verify that our method can get more accurate geometric calibration parameters. Although we calculated only one geometric parameter in this paper, the geometric artifacts are still eliminated significantly. And this method can be easily generalized to all the geometrical parameters calibration in fan-beam or cone-beam CT systems.

  15. Geometrical approach to fluid models

    NASA Astrophysics Data System (ADS)

    Kuvshinov, B. N.; Schep, T. J.

    1997-03-01

    Differential geometry based upon the Cartan calculus of differential forms is applied to investigate invariant properties of equations that describe the motion of continuous media. The main feature of this approach is that physical quantities are treated as geometrical objects. The geometrical notion of invariance is introduced in terms of Lie derivatives and a general procedure for the construction of local and integral fluid invariants is presented. The solutions of the equations for invariant fields can be written in terms of Lagrange variables. A generalization of the Hamiltonian formalism for finite-dimensional systems to continuous media is proposed. Analogously to finite-dimensional systems, Hamiltonian fluids are introduced as systems that annihilate an exact two-form. It is shown that Euler and ideal, charged fluids satisfy this local definition of a Hamiltonian structure. A new class of scalar invariants of Hamiltonian fluids is constructed that generalizes the invariants that are related with gauge transformations and with symmetries (Noether).

  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 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.

  17. 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.

  18. 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.

  19. Geometrical resonance in spatiotemporal systems

    E-print Network

    J. A. Gonzalez; A. Bellorin; L. I. Reyes; C. Vasquez; L. E. Guerrero

    2003-10-19

    We generalize the concept of geometrical resonance to perturbed sine-Gordon, Nonlinear Schrödinger and Complex Ginzburg-Landau equations. Using this theory we can control different dynamical patterns. For instance, we can stabilize breathers and oscillatory patterns of large amplitudes successfully avoiding chaos. On the other hand, this method can be used to suppress spatiotemporal chaos and turbulence in systems where these phenomena are already present. This method can be generalized to even more general spatiotemporal systems.

  20. Five-dimensional geometric electrovacuum problem with a geometric scalar field

    NASA Astrophysics Data System (ADS)

    Kiselev, A. S.; Krechet, V. G.

    2012-03-01

    A generalized geometric Reissner-Nordstrom problem taking into account a geometric scalar field G 44 ( x) is treated in the context of the five-dimensional geometric theory of gravitation and electromagnetism. A general solution is obtained for the corresponding five-dimensional Einstein vacuum equations. The essential contribution of the geometric scalar field, which can give rise to wormholes, is shown.

  1. Geometric Endoscopy and Mirror Symmetry

    E-print Network

    Edward Frenkel; Edward Witten

    2008-04-05

    The geometric Langlands correspondence has been interpreted as the mirror symmetry of the Hitchin fibrations for two dual reductive groups. This mirror symmetry, in turn, reduces to T-duality on the generic Hitchin fibers, which are smooth tori. In this paper we study what happens when the Hitchin fibers on the B-model side develop orbifold singularities. These singularities correspond to local systems with finite groups of automorphisms. In the classical Langlands Program local systems of this type are called endoscopic. They play an important role in the theory of automorphic representations, in particular, in the stabilization of the trace formula. Our goal is to use the mirror symmetry of the Hitchin fibrations to expose the special role played by these local systems in the geometric theory. The study of the categories of A-branes on the dual Hitchin fibers allows us to uncover some interesting phenomena associated with the endoscopy in the geometric Langlands correspondence. We then follow our predictions back to the classical theory of automorphic functions. This enables us to test and confirm them. The geometry we use is similar to that which is exploited in recent work by B.-C. Ngo, a fact which could be significant for understanding the trace formula.

  2. On geometric discretization of elasticity

    NASA Astrophysics Data System (ADS)

    Yavari, Arash

    2008-02-01

    This paper presents a geometric discretization of elasticity when the ambient space is Euclidean. This theory is built on ideas from algebraic topology, exterior calculus, and the recent developments of discrete exterior calculus. We first review some geometric ideas in continuum mechanics and show how constitutive equations of linearized elasticity, similar to those of electromagnetism, can be written in terms of a material Hodge star operator. In the discrete theory presented in this paper, instead of referring to continuum quantities, we postulate the existence of some discrete scalar-valued and vector-valued primal and dual differential forms on a discretized solid, which is assumed to be a triangulated domain. We find the discrete governing equations by requiring energy balance invariance under time-dependent rigid translations and rotations of the ambient space. There are several subtle differences between the discrete and continuous theories. For example, power of tractions in the discrete theory is written on a layer of cells with a nonzero volume. We obtain the compatibility equations of this discrete theory using tools from algebraic topology. We study a discrete Cosserat medium and obtain its governing equations. Finally, we study the geometric structure of linearized elasticity and write its governing equations in a matrix form. We show that, in addition to constitutive equations, balance of angular momentum is also metric dependent; all the other governing equations are topological.

  3. Geometric Algebras for Euclidean Geometry

    E-print Network

    Charles G. Gunn

    2015-07-10

    The discussion of how to apply geometric algebra to euclidean $n$-space as been clouded by a number of conceptual misunderstandings which we first identify and resolve, based on a thorough review of crucial but largely forgotten themes from $19^{th}$ century mathematics. We then introduce the dual projectivized Clifford algebra $\\mathbf{P}(\\mathbb{R}^*_{n,0,1})$ (PGA) as the most promising homogeneous (1-up) candidate for euclidean geometry. We compare PGA and the popular 2-up model CGA (conformal geometric algebra), restricting attention to flat geometric primitives, and show that on this domain they exhibit the same formal feature set. We thereby establish that PGA is the smallest structure-preserving euclidean GA. We compare the two algebras in more detail, with respect to a number of practical criteria, including implementation of kinematics and rigid body mechanics. We then extend the comparison to include euclidean sphere primitives. We conclude that PGA provides a natural transition, both scientifically and pedagogically, between vector space models and the more complex and powerful CGA.

  4. Rapid bond rearrangement in molecules after core-electron excitation

    NASA Astrophysics Data System (ADS)

    Sorensen, S. L.; Gisselbrecht, M.; Laksman, J.; Månsson, E. P.; Céolin, D.; Sankari, A.; Afaneh, F.

    2014-04-01

    Experimental studies of core-excited molecules using three-dimensional multi particle momentum imaging are presented where bond rearrangement processes in dication species are analysed. The aim of the study is to understand the relation between the geometric changes associated with core-excited states and the kinetic energy released in particular molecular dissociation processes. The kinematics of individual fragmentation channels are studied by fully three-dimensional momentum imaging of fragments in coincidence. Examples are presented where the high efficiency of the instrument and the fully three-dimensional momentum capabilities are exploited to understand nuclear motion leading to bond rearrangement in core-excited states. We identify bond-rearrangement processes in water, carbonyl sulphide and acetylene which are initiated in the core-excited state. In water this is evidenced by the H+2/O+ ion pair, and in carbonyl sulphide the OS++C+ pair is the fingerprint of this reaction. In acetylene the H+2 + C+2 ion pair indicates a molecular geometry that changes from linear to strongly bent. We measure the angular distribution of all fragments and fragment pairs and for the bond rearrangement processes in water and in core-excited acetylene the angular distribution of fragments suggests that the bond rearrangement is very rapid.

  5. 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.

  6. 77 FR 32128 - Cancellation of Bond Subject to Enhanced Bonding Requirements Upon CBP's Acceptance of Qualified...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-31

    ...Cancellation of Bond Subject to Enhanced Bonding Requirements Upon CBP's Acceptance of...amount was calculated pursuant to enhanced bonding requirements (EBR bond) upon the agency's...INFORMATION: Background I. Enhanced Bonding Requirements In 2004, U.S....

  7. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... Operations bond for distilled spirits plant and adjacent bonded wine cellar. 19...TREASURY LIQUORS DISTILLED SPIRITS PLANTS Bonds and Consents of Surety Requirements... Operations bond for distilled spirits plant and adjacent bonded wine cellar....

  8. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... Operations bond for distilled spirits plant and adjacent bonded wine cellar. 19...TREASURY LIQUORS DISTILLED SPIRITS PLANTS Bonds and Consents of Surety Requirements... Operations bond for distilled spirits plant and adjacent bonded wine cellar....

  9. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Operations bond for distilled spirits plant and adjacent bonded wine cellar. 19...TREASURY ALCOHOL DISTILLED SPIRITS PLANTS Bonds and Consents of Surety Requirements... Operations bond for distilled spirits plant and adjacent bonded wine cellar....

  10. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... Operations bond for distilled spirits plant and adjacent bonded wine cellar. 19...TREASURY ALCOHOL DISTILLED SPIRITS PLANTS Bonds and Consents of Surety Requirements... Operations bond for distilled spirits plant and adjacent bonded wine cellar....

  11. 27 CFR 19.241 - Operations bond-distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...false Operations bond-distilled spirits plant and adjacent bonded wine cellar. 19...TREASURY LIQUORS DISTILLED SPIRITS PLANTS Bonds and Consents of Surety § 19.241 Operations bond—distilled spirits plant and adjacent bonded wine cellar....

  12. 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.

  13. Creating ?-holes through the formation of beryllium bonds.

    PubMed

    Brea, Oriana; Mó, Otilia; Yáñez, Manuel; Alkorta, Ibon; Elguero, José

    2015-09-01

    Through the use of ab initio theoretical models based on MP2/aug-cc-pVDZ-optimized geometries and CCSD(T)/aug-cc-pVTZ and CCSD(T)/aug-c-pVDZ total energies, it has been shown that the significant electron density rearrangements that follow the formation of a beryllium bond may lead to the appearance of a ?-hole in systems that previously do not exhibit this feature, such as CH3 OF, NO2 F, NO3 F, and other fluorine-containing systems. The creation of the ?-hole is another manifestation of the bond activation-reinforcement (BAR) rule. The appearance of a ?-hole on the F atoms of CH3 OF is due to the enhancement of the electronegativity of the O atom that participates in the beryllium bond. This atom recovers part of the charge transferred to Be by polarizing the valence density of the F into the bonding region. An analysis of the electron density shows that indeed this bond becomes reinforced, but the F atom becomes more electron deficient with the appearance of the ?-hole. Importantly, similar effects are also observed even when the atom participating in the beryllium bond is not directly attached to the F atom, as in NO2 F, NO3 F, or NCF. Hence, whereas the isolated CH3 OF, NO2 F, and NO3 F are unable to yield F???Base halogen bonds, their complexes with BeX2 derivatives are able to yield such bonds. Significant cooperative effects between the new halogen bond and the beryllium bond reinforce the strength of both noncovalent interactions. PMID:26212472

  14. Further Developments in Gold-stud Bump Bonding

    E-print Network

    Neher, C; Moskaleva, A; Pasner, J; Tripathi, M; Woods, M

    2012-01-01

    As silicon detectors in high energy physics experiments require increasingly complex assembly procedures, the availability of a wide variety of interconnect technologies provides more options for overcoming obstacles in generic R&D. Gold ball bonding has been a staple in the interconnect industry due to its ease of use and reliability. However, due to some limitations in the standard technique, alternate methods of gold-stud bonding are being developed. This paper presents recent progress and challenges faced in the development of double gold-stud bonding and 0.5 mil wire gold-stud bonding at the UC Davis Facility for Interconnect Technology. Advantages and limitations of each technique are analyzed to provide insight into potential applications for each method. Optimization of procedures and parameters is also presented.

  15. Further developments in gold-stud bump bonding

    NASA Astrophysics Data System (ADS)

    Neher, C.; Lander, R. L.; Moskaleva, A.; Pasner, J.; Tripathi, M.; Woods, M.

    2012-02-01

    As silicon detectors in high energy physics experiments require increasingly complex assembly procedures, the availability of a wide variety of interconnect technologies provides more options for overcoming obstacles in generic R&D. Gold ball bonding has been a staple in the interconnect industry due to its ease of use and reliability. However, due to some limitations in the standard technique, alternate methods of gold-stud bonding are being developed. This paper presents recent progress and challenges faced in the development of double gold-stud bonding and 0.5 mil wire gold-stud bonding at the UC Davis Facility for Interconnect Technology. Advantages and limitations of each technique are analyzed to provide insight into potential applications for each method. Optimization of procedures and parameters is also presented.

  16. Structural and vibrational spectroscopic studies on charge transfer and ionic hydrogen bonding interactions of melaminium benzoate dihydrate.

    PubMed

    Kanagathara, N; Marchewka, M K; Drozd, M; Gunasekaran, S; Rajakumar, P R; Anbalagan, G

    2015-06-15

    Single crystals of melaminium benzoate dihydrate (MBDH) have been grown from aqueous solution by the slow solvent evaporation method at room temperature. Crystalline nature of the grown crystal has been confirmed by X-ray powder diffraction studies. The optimized geometry, frequency and intensity of the vibrational bands of MBDH were obtained by the Hartree-Fock and density functional theory using B3LYP/cam-B3LYP with 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with the experimental FT-IR and FT-Raman spectral values. The obtained vibrational wavenumbers and optimized geometric parameters are found to be in good agreement with the experimental data. UV-Visible spectrum was recorded in the region 200-400 nm and the electronic properties, HOMO-LUMO energies and other related electronic parameters are calculated. The isotropic chemical shifts computed by (1)H and (13)C NMR analysis also show good agreement with experimental observation. Natural bond orbital (NBO) analysis has been performed on MBDH compound to analyze the stability of the molecule arising from hyperconjugative interactions and charge delocalization. Molecular electrostatic potential surface (MEP) has also been performed by DFT/cam-B3LYP method with 6-311++G(d,p) basis set. Differential scanning calorimetric measurements performed on the powder sample indicate the phase transition point approximately at 368 and 358K for heating and cooling, respectively. PMID:25796010

  17. Structural and vibrational spectroscopic studies on charge transfer and ionic hydrogen bonding interactions of melaminium benzoate dihydrate

    NASA Astrophysics Data System (ADS)

    Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Gunasekaran, S.; Rajakumar, P. R.; Anbalagan, G.

    2015-06-01

    Single crystals of melaminium benzoate dihydrate (MBDH) have been grown from aqueous solution by the slow solvent evaporation method at room temperature. Crystalline nature of the grown crystal has been confirmed by X-ray powder diffraction studies. The optimized geometry, frequency and intensity of the vibrational bands of MBDH were obtained by the Hartree-Fock and density functional theory using B3LYP/cam-B3LYP with 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with the experimental FT-IR and FT-Raman spectral values. The obtained vibrational wavenumbers and optimized geometric parameters are found to be in good agreement with the experimental data. UV-Visible spectrum was recorded in the region 200-400 nm and the electronic properties, HOMO-LUMO energies and other related electronic parameters are calculated. The isotropic chemical shifts computed by 1H and 13C NMR analysis also show good agreement with experimental observation. Natural bond orbital (NBO) analysis has been performed on MBDH compound to analyze the stability of the molecule arising from hyperconjugative interactions and charge delocalization. Molecular electrostatic potential surface (MEP) has also been performed by DFT/cam-B3LYP method with 6-311++G(d,p) basis set. Differential scanning calorimetric measurements performed on the powder sample indicate the phase transition point approximately at 368 and 358 K for heating and cooling, respectively.

  18. Geometric Phase Deficit can detect Macroscopic Entanglement

    E-print Network

    Namrata Shukla; Arun Kumar Pati

    2015-09-14

    The geometric phase deficit is defined as the difference between the geometric phase acquired by the global system and sum of the geometric phases acquired by subsystems during local unitary evolutions. We show that a non-zero value of the geometric phase deficit for a composite quantum system can be a signature of quantum entanglement. In the context of macroscopic quantum systems, we illustrate how the geometric phase deficit can be used to detect macroscopically entangled states. In particular, we use the geometric phase deficit to detect the entanglement for macroscopic superposition of coherent states. Furthermore, we show that by measuring the geometric phase deficit one can measure the concurrence of two spin singlets between distant boundaries.

  19. Structure and Bonding in Group 14 Congeners of Ethene: DFT Calculations in the Inorganic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Streit, Bennett R.; Geiger, David K.

    2005-01-01

    A computational experiment is devised for advanced inorganic laboratory course that allows the students to explore the structure and bonding patterns of ethene and some heavier analogues. The HOMO-LUMO gaps, double bond dissociation energetics, and optimized geometries of ethene, disilene, and digermene are explored.

  20. An Investigation of Bonding Mechanism in Metal Cladding by Warm Rolling 

    E-print Network

    Yang, Wei

    2012-02-14

    Clad metals are extensively used for their multi-functionality and their optimal combination of quality and cost. Roll bonding is an effective and economic processing approach to making clad metals. This dissertation presents an experimental...

  1. Hydrogen bonding motifs, spectral characterization, theoretical computations and anticancer studies on chloride salt of 6-mercaptopurine: An assembly of corrugated lamina shows enhanced solubility

    NASA Astrophysics Data System (ADS)

    Suresh Kumar, S.; Athimoolam, S.; Sridhar, B.

    2015-10-01

    6-Mercaptopurine (an anti cancer drug), is coming under the class II Biopharmaceutics Classification System (BCS). In order to enhance the solubility with retained physiochemical/pharmaceutical properties, the present work was attempted with its salt form. The single crystals of 6-mercaptopurinium chloride (6MPCl) were successfully grown by slow evaporation technique under ambient temperature. The X-ray diffraction study shows that the crystal packing is dominated by N-H⋯Cl classical hydrogen bonds leading to corrugated laminar network. The hydrogen bonds present in the lamina can be dismantled as three chain C21(6), C21(7) and C21(8) motifs running along ab-diagonal of the unit cell. These primary chain motifs are interlinked to each other forming ring R63(21) motifs. These chain and ring motifs are aggregated like a dendrimer structure leading to the above said corrugated lamina. This low dimensional molecular architecture differs from the ladder like arrays in pure drug though it possess lattice water molecule in lieu of the chloride anion in the present compound. Geometrical optimizations of 6MPCl were done by Density Functional Theory (DFT) using B3LYP function with two different basis sets. The optimized molecular geometries and computed vibrational spectra are compared with their experimental counterparts. The Natural Bond Orbital (NBO) analysis was carried out to interpret hyperconjugative interaction and Intramolecular Charge Transfer (ICT). The chemical hardness, electronegativity, chemical potential and electrophilicity index of 6MPCl were found along with the HOMO-LUMO plot. The lower band gap value obtained from the Frontier Molecular Orbital (FMO) analysis reiterates the pharmaceutical activity of the compound. The anticancer studies show that 6MPCl retains its activity against human cervical cancer cell line (HeLa). Hence, this anticancer efficacy and improved solubility demands 6MPCl towards the further pharmaceutical applications.

  2. Constraint optimization and landscapes

    E-print Network

    Florent Krzakala; Jorge Kurchan

    2007-09-07

    We describe an effective landscape introduced in [1] for the analysis of Constraint Satisfaction problems, such as Sphere Packing, K-SAT and Graph Coloring. This geometric construction reexpresses these problems in the more familiar terms of optimization in rugged energy landscapes. In particular, it allows one to understand the puzzling fact that unsophisticated programs are successful well beyond what was considered to be the `hard' transition, and suggests an algorithm defining a new, higher, easy-hard frontier.

  3. Solder extrusion pressure bonding process and bonded products produced thereby

    DOEpatents

    Beavis, L.C.; Karnowsky, M.M.; Yost, F.G.

    1992-06-16

    Disclosed is a process for production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about [minus]40 C and 110 C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  4. Solder extrusion pressure bonding process and bonded products produced thereby

    DOEpatents

    Beavis, Leonard C. (Albuquerque, NM); Karnowsky, Maurice M. (Albuquerque, NM); Yost, Frederick G. (Ceder Crest, NM)

    1992-01-01

    Production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about -40.degree. C. and 110.degree. C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  5. On the geometrization of electrodynamics

    NASA Astrophysics Data System (ADS)

    Vargas, Jose G.

    1991-04-01

    This paper develops the conjecture that the electromagnetic interaction is the manifestation of the torsion ?? of spacetime. This conjecture is made feasible by the natural separation of the connection ?{?/v} into “gravitational” and “electromagnetic” parts ?{?/v} and ?{?/v}, respectively, related to the metric and to the torsion. When ?{?/v} is neglected in front of ?{?/v}, the affine geodesics are shown to become the equations of motion of charged particles with Lorentz force, for an appropriate choice of ??. Since ?{?/v} contains the factor q/m, neutral particles do not see the torsional part of the connection and behave as if ?? were zero, i.e., as in Einstein's theory of gravity (the same effect is obviously obtained for charged particles when ?{?/v} ? ?{?/v}). In addition to the factor q/m, the velocity of the test particle appears in ??. This indicates that the appropriate context for this problem is to be found in velocity-dependent connections. The velocities are now coordinates and become the actual velocities of the test particles only in the system of equations that one solves for obtaining the affine geodesics in connections of this type. When written with differential forms, the combination of Maxwell's equations and of the pertinent form of the torsion suggests geometric field equations for electrodynamics. As for the gravitational part of the connection, it can be made to obey equations similar in form to the Einstein field equations. A unified geometric theory of electrodynamics and gravitation spontaneously emerges. The present state of the theory does not yet permit us to ascertain whether the right-hand side of the fully geometric, gravitational field equations corresponds to the energy-momentum tensor.

  6. Fractal geometrical properties of nuclei

    NASA Astrophysics Data System (ADS)

    Ma, Wei-Hu; Wang, Jian-Song; Wang, Qi; Mukherjee, S.; Yang, Lei; Yang, Yan-Yun; Huang, Mei-Rong

    2015-10-01

    We present a new idea to understand the structure of nuclei and compare it to the liquid drop model. After discussing the probability that the nuclear system may be a fractal object with the characteristic of self-similarity, the irregular nuclear structure properties and the self-similarity characteristic are considered to be an intrinsic aspect of the nuclear structure properties. For the description of nuclear geometric properties, the nuclear fractal dimension is an irreplaceable variable similar to the nuclear radius. In order to determine these two variables, a new nuclear potential energy formula which is related to the fractal dimension is put forward and the phenomenological semiempirical Bethe-Weizsäcker binding energy formula is modified using the fractal geometric theory. One important equation set with two equations is obtained, which is related to the concept that the fractal dimension should be a dynamic parameter in the process of nuclear synthesis. The fractal dimensions of the light nuclei are calculated and their physical meanings are discussed. We compare the nuclear fractal mean density radii with the radii calculated by the liquid drop model for the light stable and unstable nuclei using rational nuclear fractal structure types. In the present model of fractal nuclear structure there is an obvious additional feature compared to the liquid drop model, since the present model can reflect the geometric information of the nuclear structure, especially for nuclei with clusters, such as the ?-cluster nuclei and halo nuclei. Supported by National Basic Research Program of China (973 Program) (2014CB845405, 2013CB8344x), National Natural Science Foundation of China (U1432247, 11205209, 11205221)

  7. Chemical Sensor Array Optimization: Geometric and Information Theoretic Approaches

    E-print Network

    Pearce, Tim C.

    of commercial products, such as foods, beverages, and cosmetics. Even though a large number of compa- nies exist are known to exist in nature but only a handful of these are likely to be important in solving any

  8. ResourceConstrained Geometric Network Optimization (Extended abstract)

    E-print Network

    Arkin, Estie

    salesperson who has a given amount of gasoline (allowing travel up to distance B) and wants to maximize the number of sites visited before running out of gasoline. This problem is one of a class of orienteering'', with a single tank of gas in the get­away car) and the ``generalized traveling salesperson problem'' [16, 28

  9. Optimization of Phase-Locked Loop Circuits via Geometric Programming

    E-print Network

    ¢ and Maria del Mar Hershenson Barcelona Design, Inc., Newark, CA 94560, Email: dave@barcelonadesign.com¡ Aeluros, Inc., Mountain View, CA 94040¢ Department of Electrical Engineering, Stanford University. INTRODUCTION Phase-locked loops are an important building block of almost any synchronous digital system

  10. Geometric optimization methods for the analysis of gene expression data

    E-print Network

    Absil, Pierre-Antoine

    in an automatic way. A typi- cal approach is Principal Component Analysis (PCA) that generates a linear are also detailed in [5, 6, 7]. These studies identified independent components and used the Gene Ontology

  11. Geometric optimization in Fluid Mechanics Marc Albertelli 1

    E-print Network

    Frey, Pascal

    for the velocity at the outlet of the duct, maximize the air recirculation within the combustion chamber, etc and biomedical applications, namely : - the design of vehicles air-conditioning/defrosting ducts. This topic

  12. Parameterization and Geometric Optimization of Balloon Launched Sensorcraft for Atmospheric

    E-print Network

    Sóbester, András

    and manufacturing of balloon launched, high altitude gliders. The purpose of these gliders is to conduct di- rected that can protect the payload, ensure recoverability and ex- tend sampling times. A manufacturing technique, that relies heavily on rapid prototyp- ing, allows for rapid realization of the aircraft design. This allows

  13. Geometric phases in quantum information

    E-print Network

    Erik Sjöqvist

    2015-10-07

    The rise of quantum information science has opened up a new venue for applications of the geometric phase (GP), as well as triggered new insights into its physical, mathematical, and conceptual nature. Here, we review this development by focusing on three main themes: the use of GPs to perform robust quantum computation, the development of GP concepts for mixed quantum states, and the discovery of a new type of topological phases for entangled quantum systems. We delineate the theoretical development as well as describe recent experiments related to GPs in the context of quantum information.

  14. Graphene with geometrically induced vorticity

    E-print Network

    Jiannis K. Pachos; Michael Stone; Kristan Temme

    2008-03-26

    At half filling, the electronic structure of graphene can be modelled by a pair of free two-dimensional Dirac fermions. We explicitly demonstrate that in the presence of a geometrically induced gauge field, an everywhere-real Kekule modulation of the hopping matrix elements can correspond to a non-real Higgs field with non-trivial vorticity. This provides a natural setting for fractionally charged vortices with localized zero modes. For fullerene-like molecules we employ the index theorem to demonstrate the existence of six low-lying states that do not depend strongly on the Kekule-induced mass gap.

  15. 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.

  16. Better Bonded Ethernet Load Balancing

    SciTech Connect

    Gabler, Jason

    2006-09-29

    When a High Performance Storage System's mover shuttles large amounts of data to storage over a single Ethernet device that single channel can rapidly become saturated. Using Linux Ethernet channel bonding to address this and similar situations was not, until now, a viable solution. The various modes in which channel bonding could be configured always offered some benefit but only under strict conditions or at a system resource cost that was greater than the benefit gained by using channel bonding. Newer bonding modes designed by various networking hardware companies, helpful in such networking scenarios, were already present in their own switches. However, Linux-based systems were unable to take advantage of those new modes as they had not yet been implemented in the Linux kernel bonding driver. So, except for basic fault tolerance, Linux channel bonding could not positively combine separate Ethernet devices to provide the necessary bandwidth.

  17. Superplastic forming and diffusion bonding

    NASA Astrophysics Data System (ADS)

    Bolo, Claude

    Technology and applications of superplastic forming and diffusion bonding are surveyed. Cycle-calculation and equipment considerations are examined. Emphasis is placed on aeronautical applications of these processes.

  18. Hyperbolic geometrical optics: Hyperbolic glass

    E-print Network

    Enrico De Micheli; Irene Scorza; Giovanni Alberto Viano

    2009-08-18

    We study the geometrical optics generated by a refractive index of the form $n(x,y)=1/y$ $(y>0)$, where $y$ is the coordinate of the vertical axis in an orthogonal reference frame in $\\R^2$. We thus obtain what we call "hyperbolic geometrical optics" since the ray trajectories are geodesics in the Poincar\\'e-Lobachevsky half--plane $\\HH^2$. Then we prove that the constant phase surface are horocycles and obtain the \\emph{horocyclic waves}, which are closely related to the classical Poisson kernel and are the analogs of the Euclidean plane waves. By studying the transport equation in the Beltrami pseudosphere, we prove(i) the conservation of the flow in the entire strip $0

  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. Packing: A Geometric Analysis of Feature Selection and Category Formation

    PubMed Central

    Hidaka, Shohei; Smith, Linda B.

    2011-01-01

    This paper presents a geometrical analysis of how local interactions in a large population of categories packed into a feature space create a global structure of feature relevance. The theory is a formal proof that the joint optimization of discrimination and inclusion creates a smooth space of categories such that near categories in the similarity space have similar generalization gradients. Packing theory offers a unified account of several phenomena in human categorization including the differential importance of different features for different kinds of categories, the dissociation between judgments of similarity and judgments of category membership, and children’s ability to generalize a category from very few examples. PMID:21442046

  1. 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.

  2. Vibrational assignments, spectroscopic investigation (FT-IR and FT-Raman), NBO, MEP, HOMO?LUMO analysis and intermolecular hydrogen bonding interactions of 7-fluoroisatin, 7-bromoisatin and 1-methylisatin ? A comparative study

    NASA Astrophysics Data System (ADS)

    Polat, Turgay; Bulut, Fatih; Ar?can, Ilknur; Kandemirli, Fatma; Yildirim, Gürcan

    2015-12-01

    In this comprehensive study, theoretical and experimental studies were carried out on 7-fluoroisatin, 7-bromoisatin and 1-methylisatin using FT-Raman and FT-IR spectra. The optimized geometrical parameters and theoretical vibrational frequencies were calculated by means of density functional theory (DFT/B3LYP) with 6-311++G(d,p) basis set based on scaled quantum mechanical (SQM) method for the first time. The relative abundances of the possible tautomers or conformers found were calculated with respect to the Boltzmann distribution. Moreover, the harmonic vibrational frequencies including IR and Raman intensities, thermodynamic and electronic parameters were computed in detail. The effects of substituents -F, ?Br and -CH3 on the crucial characteristics pertaining to the title compound of isatin were investigated, and the obtained data were compared with each other. Natural bond orbital (NBO) analysis was applied to study the stability arising from charge delocalization along with the compound. The chemical reactivity parameters (chemical hardness and softness, electronegativity, chemical potential and electrophilicity index) were discussed clearly. The HOMO and LUMO energies determined showed that the serious charge transfer occurs in the title molecules studied. Furthermore, the size, shape, charge density distributions and chemical reactivity sites belonging to the molecules were obtained by mapping electron density isosurface with electrostatic potential surfaces (ESP). Additionally, the hydrogen-bonded complexes were simulated to describe the roles of intermolecular hydrogen bonding on the molecular structures and vibrational frequencies.

  3. Indirect orthodontic bonding - a modified technique for improved efficiency and precision

    PubMed Central

    Nojima, Lincoln Issamu; Araújo, Adriele Silveira; Alves, Matheus

    2015-01-01

    INTRODUCTION: The indirect bonding technique optimizes fixed appliance installation at the orthodontic office, ensuring precise bracket positioning, among other advantages. In this laboratory clinical phase, material and methods employed in creating the transfer tray are decisive to accuracy. OBJECTIVE: This article describes a simple, efficient and reproducible indirect bonding technique that allows the procedure to be carried out successfully. Variables influencing the orthodontic bonding are analyzed and discussed in order to aid professionals wishing to adopt the indirect bonding technique routinely in their clinical practice. PMID:26154464

  4. Geometrical criteria for characterizing open and closed states of WPD-loop in PTP1B

    NASA Astrophysics Data System (ADS)

    Shinde, Ranajit Nivrutti; Elizabeth Sobhia, M.

    2012-06-01

    Distinctive movement of WPD-loop occurs during the catalysis of phosphotyrosine by protein tyrosine phosphatase 1B (PTP1B). This loop is in the "open" state in apo-form whereas it is catalytically competent in the "closed" state. During the closure of this loop, unique hydrogen bond interactions are formed between different residues of the PTP1B. Present study examines such interactions from the available 118 crystal structures of PTP1B. It gives insights into the five novel hydrogen bonds essentially formed in the "closed" loop structures. Additionally, the study provides distance ranges between the atoms involved in the hydrogen bonds. This information can be used as a geometrical criterion in the characterization of conformational state of the WPD-loop especially in the molecular dynamics simulations.

  5. The application of diffusion bonding in the manufacture of aeroengine components

    NASA Astrophysics Data System (ADS)

    Fitzpatrick, J. A.

    Rolls-Royce has developed and optimized diffusion bonding processes for the manufacture of advanced titanium alloy aeroengine structures and components. Both categories of the joining technique - 'liquid-phase' and 'solid-state' - are being applied in the production of both static fabrications and complex rotating parts. In order to utilize diffusion bonding processes in a production environment, the process parameters which contribute to consistent formation of joints of the required strength have been critically examined. Process variables include temperature, pressure, time, surface roughness and, in the case of liquid-phase diffusion bonding, interlayer composition, density and thickness. Mechanical testing (tensile, impact and fatigue) complemented by metallography has predominantly been used to identify the permitted variations in the processes for the realistic and economical production manufacture of high quality lightweight aeroengine fabrications. The development of a high integrity bond via optimized diffusion bonding processes has been fundamental to the development of Rolls-Royce's unique wide chord fan design concept.

  6. Explosive bonding of 316L to C18150 CuCrZr alloy for ITER applications.

    SciTech Connect

    Puskar, Joseph David; Butler, Don J.; Goods, Steven Howard; Brasher, Dave G.

    2010-10-01

    Recent developments in the ITER experimental fusion reactor require that a 316L stainless steel substructure be bonded to a precipitation strengthened CuCrZr heat sink alloy, C18150. This bond defines the cooling water pressure boundary. Given the importance of this interface, a variety of experiments with fusion welding and solid-state joining techniques have been performed. Analysis of the joints includes mechanical measurements of bond strength and microstructural analysis using optical and electron microscopy techniques. A particular emphasis was placed on the mechanical properties of the CuCrZr, since it undergoes additional thermal processing and cannot be solutionized and aged hardened per standard heat treatments. It was determined that the explosion bonding, of all the techniques examined, maximized the residual mechanical strength of the CuCrZr. The bonding parameters were optimized to minimize the amount of mixing and porosity at the interface. The details of these results and the optimization will be discussed.

  7. Explosive bonding of plates with diffusion barrier interfaces

    NASA Astrophysics Data System (ADS)

    Joshi, V. S.; Banks, M. L.; Krebsbach, J.

    2000-04-01

    Composite plates, with and without, "waves" were made using improved explosive welding techniques. Oriented heat treatment of one surface of a steel-titanium composite introduces brittle intermetallic material at the specific interface. Currently, we are investigating methods to minimize this layer. While "waveless" interfaces revealed minimum intermetallic material; failure of the bond during ballistic impact necessitated production of a semi-compatible diffusion barrier using a fine layer of pure metal. Methods of producing composite plates with different interlayer materials and the effect of variables in optimizing the bond quality is presented.

  8. Explosive Bonding of Plates with Diffusion Barrier Interfaces

    NASA Astrophysics Data System (ADS)

    Joshi, Vasant; Banks, Marvin; Krebsbach, John

    1999-06-01

    Composite plates, with and without, “waves” were made using improved explosive welding techniques. Oriented heat treatment of one surface of a steel-titanium composite introduces brittle intermetallic material at the specific interface. Currently, we are investigating methods to minimize this layer. While “waveless” interfaces revealed minimum intermetallic material; failure of the bond during ballistic impact necessitated production of a semi-compatible diffusion barrier using a fine layer of pure metal. Methods of producing composite plates with different interlayer materials and the effect of variables in optimizing the bond quality will be presented.

  9. Excimer surface treatment to enhance bonding in coated steels

    NASA Astrophysics Data System (ADS)

    Mueller, Robert E.; Olfert, M.; Duley, Walter W.; North, T.; Hood, J.; Sakai, D.

    1996-04-01

    Zinc coated sheet steel in the form of temper rolled galvanize and galvanneal are used extensively in the automotive industry. Through a process of excimer laser surface treatment, we have succeeded in significantly enhancing the adhesion characteristics of these coated steels. The laser treatment is performed by scanning focused excimer laser radiation in a raster pattern over the surface to be bonded. Adhesion tests have been carried out in the form of T peel tests, using either a hot melt nylon resin or an epoxy as the adhesive. An increase in bond strength was observed over a substantial range of surface treatment conditions. The largest improvement observed was more than a factor of three greater than for untreated surfaces. With the improved surface condition, the bond strength became limited by the cohesive strength of the adhesive. The physical structure and chemical composition of the parent and excimer treated surfaces have been examined using scanning electron microscopy and X-ray photoelectron spectroscopy to determine the nature and extent of the changes caused by the surface treatment. The effects of the observed changes on the bonding performance will be discussed. Surfaces have been processed under an inert atmosphere to isolate the effects of physical surface modification and surface oxidation. An attempt will be made to correlate the surface changes with the bonding characteristics and thereby indicate which changes are most beneficial. The ultimate goal is to optimize the surface condition for bonding and maximize the process rate.

  10. Bonding and Integration Technologies for Silicon Carbide Based Injector Components

    NASA Technical Reports Server (NTRS)

    Halbig, Michael C.; Singh, Mrityunjay

    2008-01-01

    Advanced ceramic bonding and integration technologies play a critical role in the fabrication and application of silicon carbide based components for a number of aerospace and ground based applications. One such application is a lean direct injector for a turbine engine to achieve low NOx emissions. Ceramic to ceramic diffusion bonding and ceramic to metal brazing technologies are being developed for this injector application. For the diffusion bonding, titanium interlayers (PVD and foils) were used to aid in the joining of silicon carbide (SiC) substrates. The influence of such variables as surface finish, interlayer thickness (10, 20, and 50 microns), processing time and temperature, and cooling rates were investigated. Microprobe analysis was used to identify the phases in the bonded region. For bonds that were not fully reacted an intermediate phase, Ti5Si3Cx, formed that is thermally incompatible in its thermal expansion and caused thermal stresses and cracking during the processing cool-down. Thinner titanium interlayers and/or longer processing times resulted in stable and compatible phases that did not contribute to microcracking and resulted in an optimized microstructure. Tensile tests on the joined materials resulted in strengths of 13-28 MPa depending on the SiC substrate material. Non-destructive evaluation using ultrasonic immersion showed well formed bonds. For the joining technology of brazing Kovar fuel tubes to silicon carbide, preliminary development of the joining approach has begun. Various technical issues and requirements for the injector application are addressed.

  11. Microwave bonding of MEMS component

    NASA Technical Reports Server (NTRS)

    Barmatz, Martin B. (Inventor); Mai, John D. (Inventor); Jackson, Henry W. (Inventor); Budraa, Nasser K. (Inventor); Pike, William T. (Inventor)

    2005-01-01

    Bonding of MEMs materials is carried out using microwave. High microwave absorbing films are placed within a microwave cavity, and excited to cause selective heating in the skin of the material. This causes heating in one place more than another. Thereby minimizing the effects of the bonding microwave energy.

  12. Weld-bonded titanium structures

    NASA Technical Reports Server (NTRS)

    Vaughan, R. W.; Creedon, J. F. (inventors)

    1976-01-01

    Structurally stronger titanium articles are produced by a weld-bonding technique comprising fastening at least two plates of titanium together using spotwelding and curing an adhesive interspersed between the spot-weld nuggets. This weld-bonding may be employed to form lap joints or to stiffen titanium metal plates.

  13. Computational Chemistry of Adhesive Bonds

    NASA Technical Reports Server (NTRS)

    Phillips, Donald H.

    1999-01-01

    This investigation is intended to determine the electrical mechanical, and chemical properties of adhesive bonds at the molecular level. The initial determinations will be followed by investigations of the effects of environmental effects on the chemistry and properties of the bond layer.

  14. Effect of the intramolecular hydrogen bond on the spectral and optical properties in chitosan oligosaccharide

    NASA Astrophysics Data System (ADS)

    Li, Xin; Yang, Mengshi; Shi, Xiao; Chu, Xiuxiang; Chen, Liang; Wu, Qiang; Wang, Yueyue

    2015-05-01

    The geometric structures, hydrogen bond types, IR spectra and nonlinear optical properties of chitosan oligosaccharide (degree of polymerization 2-5) are studied by density-functional theory (DFT) at B3LYP/6-31+G(d) level. We have analyzed the statistics of relationship between IR spectra and bond lengths, and angles of amino, hydroxyl. The results show that: (1) the active groups C3-OH, C6-OH and -NH2 can form intramolecular hydrogen bond in chitosan oligosaccharide; (2) the IR spectra of three active groups have size effect in growth process, however, its IR intensity increases significantly and IR frequencies are red shifted obviously when the active hydroxyl form hydrogen bonds, because the bond length of active hydroxyl becomes longer; (3) the effect of hydrogen bond on intensity and frequency of the three vibration mode of amino is the main factor and complication. The paper also provides the nonlinear optical properties of chitosan oligosaccharide. The reason why hydrogen bond can make an appreciable difference to IR spectra, and the nonlinear optical properties of chitosan oligosaccharide are discussed. This research has important significance in the characterization of chitosan oligosaccharide, the properties of chitosan material and hydrogen bond by infrared spectroscopy.

  15. Bounded Length, 2-Edge Augmentation of Geometric Planar Graphs

    NASA Astrophysics Data System (ADS)

    Kranakis, Evangelos; Krizanc, Danny; Ponce, Oscar Morales; Stacho, Ladislav

    Algorithms for the construction of spanning planar subgraphs of Unit Disk Graphs (UDGs) do not ensure connectivity of the resulting graph under single edge deletion. To overcome this deficiency, in this paper we address the problem of augmenting the edge set of planar geometric graphs with straight line edges of bounded length so that the resulting graph is planar and 2-edge connected. We give bounds on the number of newly added straight-line edges and show that such edges can be of length at most 3 times the max length of the edges of the original graph; also 3 is shown to be optimal. It is shown to be NP-hard to augment a geometric planar graph to a 2-edge connected geometric planar with the minimum number of new edges of a given bounded length. Further, we prove that there is no local algorithm for augmenting a planar UDG into a 2-edge connected planar graph with straight line edges.

  16. Geometrical setting of solid mechanics

    SciTech Connect

    Fiala, Zdenek

    2011-08-15

    Highlights: > Solid mechanics within the Riemannian symmetric manifold GL (3, R)/O (3, R). > Generalized logarithmic strain. > Consistent linearization. > Incremental principle of virtual power. > Time-discrete approximation. - Abstract: The starting point in the geometrical setting of solid mechanics is to represent deformation process of a solid body as a trajectory in a convenient space with Riemannian geometry, and then to use the corresponding tools for its analysis. Based on virtual power of internal stresses, we show that such a configuration space is the (globally) symmetric space of symmetric positive-definite real matrices. From this unifying point of view, we shall analyse the logarithmic strain, the stress rate, as well as linearization and intrinsic integration of corresponding evolution equation.

  17. Geometric localization of STEREO CMEs

    NASA Astrophysics Data System (ADS)

    Pizzo, V. J.; Biesecker, D. A.

    2004-11-01

    We describe a straightforward methodology for determining the location and other gross properties of CMEs within the coronagraph field of view in the upcoming STEREO mission observations. We use geometric triangulation upon a series of lines-of-sight taken from two spacecraft views that are locally tangent to the apparent edges of a CME. From the intersections of these lines-of-sight, we construct a set of stacked quadrilaterals that fully bound the structure and convey something of its location, shape, and size; a time sequence of such determinations can be used to determine the velocity. The technique is relatively robust and promises a substantial improvement in our capability to locate and characterize CMEs for research as well as forecasting purposes.

  18. 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.

  19. Geometric algebra in plasma electrodynamics

    NASA Astrophysics Data System (ADS)

    Resendes, D. P.; Resendes

    2013-10-01

    Geometric algebra (GA) is a recent broad mathematical framework incorporating synthetic and coordinate geometry, complex variables, quarternions, vector analysis, matrix algebra, spinors, tensors, and differential forms. It has been claimed to be a unified language for physics. GA is presented in the context of the Maxwell-Plasma system. In this formalism the divergence and curl differential operators are united in a single vector derivative, which is invertible, in the form of a first-order Green function. The four Maxwell equations can be combined into a single equation (for homogeneous and constant media) or into two equations involving the invertible vector derivative for more complex media. GA is applied to simple examples to illustrate the compactness of the notation and coordinate-free computations.

  20. Geometrically-tuned channel permeability

    E-print Network

    Paolo Malgaretti; Ignacio Pagonabarraga; J. Miguel Rubi

    2015-05-19

    We characterize the motion of charged as well as neutral tracers, in an electrolyte embedded in a varying section channel. We exploit a set of systematic approximations that allows us to simplify the problem, yet capturing the essential of the interplay between the geometrical confinement provided by the corrugated channel walls and the electrolyte properties. Our simplified approach allows us to characterize the transport properties of corrugated channels when a net flux of tracers is obtained by keeping the extrema of the channel at different chemical potentials. For highly diluted tracer suspensions, we have characterized tracers currents and we have estimated the net electric current which occurs when both positively and negatively charged tracers are considered.

  1. Geometrical distance on quantum channels

    E-print Network

    Haidong Yuan; Chi-Hang Fred Fung

    2015-11-20

    We provide a geometrical distance on the space of quantum channels which can be efficiently computed using semi-definite programming, and show how this distance determines the ultimate precision limit in quantum metrology and the minimum number of uses needed to perfectly discriminating two arbitrary quantum channels. This distance thus provides a unified framework for these related, but so far largely separated fields. With this framework we show that the precision limit of quantum parameter estimation can be seen as a manifestation of the distance between quantum channels, and the minimum number of uses needed for perfect discrimination between two quantum channels is exactly the counterpart of the precision limit in quantum metrology. With the connection provided by this metric we also show how useful lower bounds for minimum number of uses needed for perfect channel discrimination can be obtained via a bridge to the precision limit in quantum metrology.

  2. Autophoretic locomotion from geometric asymmetry

    E-print Network

    Sebastien Michelin; Eric Lauga

    2015-01-16

    Among the few methods which have been proposed to create small-scale swimmers, those relying on self-phoretic mechanisms present an interesting design challenge in that chemical gradients are required to generate net propulsion. Building on recent work, we propose that asymmetries in geometry are sufficient to induce chemical gradients and swimming. We illustrate this idea using two different calculations. We first calculate exactly the self-propulsion speed of a system composed of two spheres of unequal sizes but identically chemically homogeneous. We then consider arbitrary, small-amplitude, shape deformations of a chemically-homogeneous sphere, and calculate asymptotically the self-propulsion velocity induced by the shape asymmetries. Our results demonstrate how geometric asymmetries can be tuned to induce large locomotion speeds without the need of chemical patterning.

  3. Autophoretic locomotion from geometric asymmetry

    E-print Network

    Michelin, Sebastien

    2015-01-01

    Among the few methods which have been proposed to create small-scale swimmers, those relying on self-phoretic mechanisms present an interesting design challenge in that chemical gradients are required to generate net propulsion. Building on recent work, we propose that asymmetries in geometry are sufficient to induce chemical gradients and swimming. We illustrate this idea using two different calculations. We first calculate exactly the self-propulsion speed of a system composed of two spheres of unequal sizes but identically chemically homogeneous. We then consider arbitrary, small-amplitude, shape deformations of a chemically-homogeneous sphere, and calculate asymptotically the self-propulsion velocity induced by the shape asymmetries. Our results demonstrate how geometric asymmetries can be tuned to induce large locomotion speeds without the need of chemical patterning.

  4. Social bonding: regulation by neuropeptides

    PubMed Central

    Lieberwirth, Claudia; Wang, Zuoxin

    2014-01-01

    Affiliative social relationships (e.g., among spouses, family members, and friends) play an essential role in human society. These relationships affect psychological, physiological, and behavioral functions. As positive and enduring bonds are critical for the overall well-being of humans, it is not surprising that considerable effort has been made to study the neurobiological mechanisms that underlie social bonding behaviors. The present review details the involvement of the nonapeptides, oxytocin (OT), and arginine vasopressin (AVP), in the regulation of social bonding in mammals including humans. In particular, we will discuss the role of OT and AVP in the formation of social bonds between partners of a mating pair as well as between parents and their offspring. Furthermore, the role of OT and AVP in the formation of interpersonal bonding involving trust is also discussed. PMID:25009457

  5. 27 CFR 25.95 - New bond.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2014-04-01 2014-04-01 false New bond. 25.95 Section 25... TREASURY ALCOHOL BEER Bonds and Consents of Surety § 25.95 New bond. The appropriate TTB officer may at any time, at his or her discretion, require a new bond. A new bond is required immediately in the case...

  6. 27 CFR 25.95 - New bond.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false New bond. 25.95 Section 25... TREASURY LIQUORS BEER Bonds and Consents of Surety § 25.95 New bond. The appropriate TTB officer may at any time, at his or her discretion, require a new bond. A new bond is required immediately in the case...

  7. 27 CFR 25.95 - New bond.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2012-04-01 2012-04-01 false New bond. 25.95 Section 25... TREASURY LIQUORS BEER Bonds and Consents of Surety § 25.95 New bond. The appropriate TTB officer may at any time, at his or her discretion, require a new bond. A new bond is required immediately in the case...

  8. 27 CFR 25.95 - New bond.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false New bond. 25.95 Section 25... TREASURY LIQUORS BEER Bonds and Consents of Surety § 25.95 New bond. The appropriate TTB officer may at any time, at his or her discretion, require a new bond. A new bond is required immediately in the case...

  9. 27 CFR 25.95 - New bond.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2013-04-01 2013-04-01 false New bond. 25.95 Section 25... TREASURY ALCOHOL BEER Bonds and Consents of Surety § 25.95 New bond. The appropriate TTB officer may at any time, at his or her discretion, require a new bond. A new bond is required immediately in the case...

  10. Hydrogen bonding of isoindole-1,3-dione in reaction field: Vibrational spectroscopy study

    NASA Astrophysics Data System (ADS)

    Safinejad, F.; Asghari-Khiavi, M.

    2009-03-01

    The origin of the geometrical and spectroscopic changes in isoindole-1,3-dione molecule due to the hydrogen bonding (local electric field) is studied using ab initio and perturbation treatment of the Onsager model. In the case of C dbnd O, bond elongates and red-shifted C dbnd O stretch (s) mode results; in the case of N-H, bond contraction and blue-shifted NH s frequency is observed and for the C-H bond, both red-shifted and blue-shifted CH s mode are found. Furthermore, using vibrational Stark effect in the Onsager model we were able to determine the difference dipole moment and the difference polarizability of several stretching bands.

  11. 29 CFR 2580.412-19 - Term of the bond, discovery period, other bond clauses.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...DEPARTMENT OF LABOR TEMPORARY BONDING RULES UNDER THE EMPLOYEE RETIREMENT INCOME SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules § 2580...section 13, if, with respect to bonding coverage required under section...

  12. 29 CFR 2580.412-19 - Term of the bond, discovery period, other bond clauses.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...DEPARTMENT OF LABOR TEMPORARY BONDING RULES UNDER THE EMPLOYEE RETIREMENT INCOME SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules § 2580...section 13, if, with respect to bonding coverage required under section...

  13. Halogen Bonding Molecular Capsules.

    PubMed

    Dumele, Oliver; Trapp, Nils; Diederich, François

    2015-10-12

    Molecular capsules based solely on the interaction of halogen bonding (XB) are presented along with their host-guest binding properties in solution. The first example of a well-defined four-point XB supramolecular system is realized by decorating resorcin[4]arene cavitands with polarized halogen atoms for dimerization with tetra(4-pyridyl) resorcin[4]arene cavitands. NMR binding data for the F, Cl, Br, and I cavitands as the XB donor show association constants (Ka ) of up to 5370?M(-1) (?G283?K =-4.85?kcal?mol(-1) , for I), even in XB-competitive solvent, such as deuterated benzene/acetone/methanol (70:30:1) at 283?K, where comparable monodentate model systems show no association. The XB capsular geometry is evidenced by two-dimensional HOESY NMR, and the thermodynamic profile shows that capsule formation is enthalpically driven. Either 1,4-dioxane or 1,4-dithiane are encapsulated within each of the two separate cavities within the XB capsule, with of up to Ka =9.0 10(8) ?M(-2) (?G283?K =-11.6?kcal?mol(-1) ). PMID:26013544

  14. How Geometric Distortions Scatter Electronic Excitations in Conjugated Macromolecules.

    PubMed

    Shi, Tian; Li, Hao; Tretiak, Sergei; Chernyak, Vladimir Y

    2014-11-20

    Effects of disorder and exciton-phonon interactions are the major factors controlling photoinduced dynamics and energy-transfer processes in conjugated organic semiconductors, thus defining their electronic functionality. All-atom quantum-chemical simulations are potentially capable of describing such phenomena in complex "soft" organic structures, yet they are frequently computationally restrictive. Here we efficiently characterize how electronic excitations in branched conjugated molecules interact with molecular distortions using the exciton scattering (ES) approach as a fundamental principle combined with effective tight-binding models. Molecule geometry deformations are incorporated to the ES view of electronic excitations by identifying the dependence of the Frenkel-type exciton Hamiltonian parameters on the characteristic geometry parameters. We illustrate our methodology using two examples of intermolecular distortions, bond length alternation and single bond rotation, which constitute vibrational degrees of freedom strongly coupled to the electronic system in a variety of conjugated systems. The effect on excited-state electronic structures has been attributed to localized variation of exciton on-site energies and couplings. As a result, modifications of the entire electronic spectra due to geometric distortions can be efficiently and accurately accounted for with negligible numerical cost. The presented approach can be potentially extended to model electronic structures and photoinduced processes in bulk amorphous polymer materials. PMID:26276475

  15. Geometric Derivation of Radial Acceleration Magnitude.

    ERIC Educational Resources Information Center

    Kraft, David W.; Motz, Lloyd

    1995-01-01

    Standard treatments of uniform circular motion generally employ a combination of geometric and kinematic arguments to obtain the magnitude of radial acceleration. Presents a novel approach to the geometric portion of the derivation that uses the property that vectors can be translated parallel to themselves. (JRH)

  16. The geometric semantics of algebraic quantum mechanics

    E-print Network

    John Alex Cruz Morales; Boris Zilber

    2014-10-27

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

  17. 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…

  18. Geometric Active Contours & Level Set Methods

    E-print Network

    Vaswani, Namrata

    .r.t. it · Geometric energy: function of geometric quantities #12;· Arclength paramaterization ­ ds = ||Cp|| dp) ||Cp||dp ­ Minimizing Flow: in class #12;Level set Representation · Represent contour as zero level set · Curvature · Energy, E = total contour length ­ Minimizing flow: kappa N · Energy E = F(C,Cs) ds = F(C,Cp

  19. Geometrical Spinoptics and the Optical Hall Effect

    E-print Network

    Christian Duval; Zalan Horvath; Peter Horvathy

    2006-07-10

    Geometrical optics is extended so as to provide a model for spinning light rays via the coadjoint orbits of the Euclidean group characterized by color and spin. This leads to a theory of ``geometrical spinoptics'' in refractive media. Symplectic scattering yields generalized Snell-Descartes laws that include the recently discovered optical Hall effect.

  20. Towards a Multidimensional Geometric Metric for Sustainability

    E-print Network

    Collins, Gary S.

    Towards a Multidimensional Geometric Metric for Sustainability Noah Granieri1, Gaurav Ameta2 1's REU program under grant number 0754370 Results Geometric results from Sustainability Data ·All aspect sustainability aspect values change depending on fuel sources for energy production. Designers may choose what

  1. On geometrically equivalent S-acts

    E-print Network

    Katsov, Yefim

    2011-01-01

    In this paper, considering the geometric equivalence for algebras of a variety $_{S}A$ of S-acts over a monoid S, we obtain representation theorems describing all types of the equivalence classes of geometrically equivalent S-acts of varieties $_{S}A$ over groups S.

  2. Wooden Geometric Puzzles: Design and Hardness Proofs

    E-print Network

    Utrecht, Universiteit

    Wooden Geometric Puzzles: Design and Hardness Proofs Helmut Alt Hans L. Bodlaender Marc van Kreveld Technical Report UU­CS­2007­009 www.cs.uu.nl ISSN: 0924­3275 #12; Wooden Geometric Puzzles: Design puzzles and the complexity of their extension to arbitrary sizes. For gate puzzles and two­layer puzzles

  3. Geometric Properties of Assur Graphs Brigitte Servatius

    E-print Network

    Shai, Offer

    Geometric Properties of Assur Graphs Brigitte Servatius Offer Shai Walter Whiteley January 9, 2008 frameworks - Assur graphs - which arise in the analy- sis of mechanical linkages. In this paper we further explore the geometric properties of Assur graphs, with a focus on singular realizations which have static

  4. Triangulations with very few geometric bistellar neighbors

    E-print Network

    Santos Leal, Francisco

    Triangulations with very few geometric bistellar neighbors Francisco Santos y Depto. de Matematicas Abstract We are interested in a notion of elementary change between triangulations of a point con guration of triangulations of point con gurations in dimension 3 with n2 +2n+2 vertices and only 4n 3 geometric bistellar ips

  5. 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

  6. 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.

  7. Correlated Tunneling in Hydrogen Bonds

    NASA Astrophysics Data System (ADS)

    Lin, Lin; Morrone, Joseph A.; Car, Roberto

    2011-10-01

    We study the quantum nature of the protons participating in hydrogen bonds in several ice structures by analyzing the one particle density matrix. We find that in all cases, including ice Ih, the most common form of ice, and the high pressure phases, ice VIII, VII, and X, the system is ground-state dominated. However, while the dynamics is uncorrelated in the structures with standard asymmetric hydrogen bonds, such as ice Ih and VIII, local correlations among the protons characterize ice VII and, to a lesser extent, ice X in the so-called low barrier hydrogen bond regime. The correlations appear along the path to hydrogen bond symmetrization, when quantum fluctuations delocalize the proton on the two bond sides. The correlations derive from a strong requirement for local charge neutrality that favors concerted motion along the bonds. The resulting behavior deviates substantially from mean field theory, which would predict in ice VII coherent tunneling of the proton between the two bond sides, thereby causing an ionization catastrophe. Due to the correlations, the quantum state of the proton is entangled.

  8. Physical Nature of Hydrogen Bond

    E-print Network

    Zhyganiuk, I V

    2015-01-01

    The physical nature and the correct definition of hydrogen bond (H-bond) are considered.\\,\\,The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed.\\,\\,The conventional model of H-bonds as sharply directed and saturated bridges between water molecules is incompatible with the behavior of the specific volume, evaporation heat, and self-diffusion and kinematic shear viscosity coefficients of water. On the other hand, it is shown that the variation of the dipole moment of a water molecule and the frequency shift of valence vibrations of a hydroxyl group can be totally explained in the framework of the electrostatic model of H-bond.\\,\\,At the same time, the temperature dependences of the heat capacity of water in the liquid and vapor states clearly testify to the existence of weak H-bonds.\\,\\,The analysis of a water dimer shows that the contribution of weak H-bonds to its ground state energy is approximately 4--5 times lower in comparison with the energy of electr...

  9. Temperature effects on mixed state geometric phase

    E-print Network

    A. T. Rezakhani; P. Zanardi

    2006-05-31

    Geometric phase of an open quantum system that is interacting with a thermal environment (bath) is studied through some simple examples. The system is considered to be a simple spin-half particle which is weakly coupled to the bath. It is seen that even in this regime the geometric phase can vary with temperature. In addition, we also consider the system under an adiabatically time-varying magnetic field which is weakly coupled to the bath. An important feature of this model is that it reveals existence of a temperature-scale in which adiabaticity condition is preserved and beyond which the geometric phase is varying quite rapidly with temperature. This temperature is exactly the one in which the geometric phase vanishes. This analysis has some implications in realistic implementations of geometric quantum computation.

  10. Efficient hyperspectral image segmentation using geometric active contour formulation

    NASA Astrophysics Data System (ADS)

    Albalooshi, Fatema A.; Sidike, Paheding; Asari, Vijayan K.

    2014-10-01

    In this paper, we present a new formulation of geometric active contours that embeds the local hyperspectral image information for an accurate object region and boundary extraction. We exploit self-organizing map (SOM) unsupervised neural network to train our model. The segmentation process is achieved by the construction of a level set cost functional, in which, the dynamic variable is the best matching unit (BMU) coming from SOM map. In addition, we use Gaussian filtering to discipline the deviation of the level set functional from a signed distance function and this actually helps to get rid of the re-initialization step that is computationally expensive. By using the properties of the collective computational ability and energy convergence capability of the active control models (ACM) energy functional, our method optimizes the geometric ACM energy functional with lower computational time and smoother level set function. The proposed algorithm starts with feature extraction from raw hyperspectral images. In this step, the principal component analysis (PCA) transformation is employed, and this actually helps in reducing dimensionality and selecting best sets of the significant spectral bands. Then the modified geometric level set functional based ACM is applied on the optimal number of spectral bands determined by the PCA. By introducing local significant spectral band information, our proposed method is capable to force the level set functional to be close to a signed distance function, and therefore considerably remove the need of the expensive re-initialization procedure. To verify the effectiveness of the proposed technique, we use real-life hyperspectral images and test our algorithm in varying textural regions. This framework can be easily adapted to different applications for object segmentation in aerial hyperspectral imagery.

  11. 75 FR 39730 - Tribal Economic Development Bonds

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-12

    ... Tribal Economic Development Bonds AGENCY: Department of the Treasury, Departmental Offices. ACTION... from Indian Tribal Governments regarding the Tribal Economic Development Bond provision in Section 7871... ``Tribal Economic Development Bonds,'' under Section 7871(f) of the Internal Revenue Code (``Code'')...

  12. 43 CFR 3904.10 - Bonding requirements.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...Interior 2 2011-10-01 2011-10-01 false Bonding requirements. 3904.10 Section 3904.10 Public Lands...MANAGEMENT-GENERAL Bonds and Trust Funds § 3904.10 Bonding requirements. (a) Prior to issuing a lease...

  13. 46 CFR Sec. 4 - Posting of bond.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...2010-10-01 2010-10-01 false Posting of bond. Sec. 4 Section 4 Shipping MARITIME ADMINISTRATION, DEPARTMENT...A-NATIONAL SHIPPING AUTHORITY BONDING OF SHIP'S PERSONNEL Sec. 4 Posting of bond. The General Agent shall...

  14. Explosive bonding of metal-matrix composites

    NASA Technical Reports Server (NTRS)

    Reece, O. Y.

    1969-01-01

    Explosive bonding process produces sheet composites of aluminum alloy reinforced by high-strength stainless steel wires. The bonds are excellent metallurgically, no external heat is required, various metals can be bonded, and the process is inexpensive.

  15. 75 FR 39730 - Tribal Economic Development Bonds

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-12

    ...DEPARTMENT OF THE TREASURY Tribal Economic Development Bonds AGENCY: Department...Governments regarding the Tribal Economic Development Bond provision in Section...governments, known as ``Tribal Economic Development Bonds,'' under...

  16. 19 CFR 125.32 - Merchandise delivered to a bonded store or bonded warehouse.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...delivered to a bonded store or bonded warehouse. 125.32 Section 125.32 Customs...delivered to a bonded store or bonded warehouse. When merchandise is carried, carted...and received in a bonded store or bonded warehouse, the proprietor or his...

  17. 19 CFR 125.32 - Merchandise delivered to a bonded store or bonded warehouse.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...delivered to a bonded store or bonded warehouse. 125.32 Section 125.32 Customs...delivered to a bonded store or bonded warehouse. When merchandise is carried, carted...and received in a bonded store or bonded warehouse, the proprietor or his...

  18. Abstract. We present a general approach for describing chemical processes (bond breaking and bond formation)

    E-print Network

    Goddard III, William A.

    Abstract. We present a general approach for describing chemical processes (bond breaking and bond the dissoci- ation and formation of chemical bonds. Although high- quality quantum mechanical (QM®c bond orders into speci®c bonds and do not allow bond breaking [1, 2]. In contrast, a chemical reaction

  19. Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: A DFT/TD-DFT study

    NASA Astrophysics Data System (ADS)

    Wang, Dandan; Lü, Rui; Yuan, Minghu; Chen, Junsheng; Feng, Liqiang; Fu, Aiping; Tian, Fenghui; Varandas, António J. C.; Chu, Tianshu

    2014-08-01

    We discuss theoretically the geometric and electronic structure properties of the thiazolidinedione derivative A and its hydrogen-bonded complex in dimethylformamide (DMF) solution in the S0 and S1 states. To gain insight into the photoinduced coupled excited-state proton transfer (ESPT) and twisted intramolecular charge transfer (TICT) associated with intermolecular hydrogen bonding, the potential energy profiles are provided along the Osbnd H bond and the twisted angle. It is predicted that TICT in S1 can facilitate ESPT initiated by intermolecular hydrogen-bond strengthening in the S1 state. The coupling of ESPT and TICT is energetically preferable.

  20. Method for vacuum fusion bonding

    DOEpatents

    Ackler, Harold D. (Sunnyvale, CA); Swierkowski, Stefan P. (Livermore, CA); Tarte, Lisa A. (Livermore, CA); Hicks, Randall K. (Stockton, CA)

    2001-01-01

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  1. Fusion bonding and alignment fixture

    DOEpatents

    Ackler, Harold D. (Sunnyvale, CA); Swierkowski, Stefan P. (Livermore, CA); Tarte, Lisa A. (Livermore, CA); Hicks, Randall K. (Stockton, CA)

    2000-01-01

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all the components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  2. Ultrasonic Imaging Of Bond Layers Through Bond Layers

    NASA Technical Reports Server (NTRS)

    Chern, E. James

    1992-01-01

    Combination of hardware and software helps ultrasonic C-scan inspection system create images of bond layer in laminated composite material, even when obscured by another bond layer. Produces image of both layers in single scan. Includes ultrasonic transducer, pulser/receiver, mechanical scanner, personal computer as controller, and electronic circuitry that gates first and second peak signals, detects peaks, and feeds resulting amplitude data to computer.

  3. 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-1 and S-2. See DOI: 10.1039/c4nr02393e

  4. Restricting the ? Torsion Angle Has Stereoelectronic Consequences on a Scissile Bond: An Electronic Structure Analysis.

    PubMed

    Strieter, Eric R; Andrew, Trisha L

    2015-09-22

    Protein motion is intimately linked to enzymatic catalysis, yet the stereoelectronic changes that accompany different conformational states of a substrate are poorly defined. Here we investigate the relationship between conformation and stereoelectronic effects of a scissile amide bond. Structural studies have revealed that the C-terminal glycine of ubiquitin and ubiquitin-like proteins adopts a syn (? ? 0°) or gauche (? ? ±60°) conformation upon interacting with deubiquitinases/ubiquitin-like proteases. We used hybrid density functional theory and natural bond orbital analysis to understand how the stereoelectronic effects of the scissile bond change as a function of ? and ? torsion angles. This led to the discovery that when ? is between 30° and -30° the scissile bond becomes geometrically and electronically deformed. Geometric distortion occurs through pyramidalization of the carbonyl carbon and amide nitrogen. Electronic distortion is manifested by a decrease in the strength of the donor-acceptor interaction between the amide nitrogen and antibonding orbital (?*) of the carbonyl. Concomitant with the reduction in nN ? ?* delocalization energy, the sp(2) hybrid orbital of the carbonyl carbon becomes richer in p-character, suggesting the syn configuration causes the carbonyl carbon hybrid orbitals to adopt a geometry reminiscent of a tetrahedral-like intermediate. Our work reveals important insights into the role of substrate conformation in activating the reactive carbonyl of a scissile bond. These findings have implications for designing potent active site inhibitors based on the concept of transition state analogues. PMID:26332921

  5. Method of bonding

    DOEpatents

    Saller, deceased, Henry A. (late of Columbus, OH); Hodge, Edwin S. (Columbus, OH); Paprocki, Stanley J. (Columbus, OH); Dayton, Russell W. (Columbus, OH)

    1987-12-01

    1. A method of making a fuel-containing structure for nuclear reactors, comprising providing an assembly comprising a plurality of fuel units; each fuel unit consisting of a core plate containing thermal-neutron-fissionable material, sheets of cladding metal on its bottom and top surfaces, said cladding sheets being of greater width and length than said core plates whereby recesses are formed at the ends and sides of said core plate, and end pieces and first side pieces of cladding metal of the same thickness as the core plate positioned in said recesses, the assembly further comprising a plurality of second side pieces of cladding metal engaging the cladding sheets so as to space the fuel units from one another, and a plurality of filler plates of an acid-dissolvable nonresilient material whose melting point is above 2000.degree. F., each filler plate being arranged between a pair of said second side pieces and the cladding plates of two adjacent fuel units, the filler plates having the same thickness as the second side pieces; the method further comprising enclosing the entire assembly in an envelope; evacuating the interior of the entire assembly through said envelope; applying inert gas under a pressure of about 10,000 psi to the outside of said envelope while at the same time heating the assembly to a temperature above the flow point of the cladding metal but below the melting point of any material of the assembly, whereby the envelope is pressed against the assembly and integral bonds are formed between plates, sheets, first side pieces, and end pieces and between the sheets and the second side pieces; slowly cooling the assembly to room temperature; removing the envelope; and dissolving the filler plates without attacking the cladding metal.

  6. Smart interfacial bonding alloys

    SciTech Connect

    R. Q. Hwang; J. C. Hamilton; J. E. Houston

    1999-04-01

    The goal of this LDRD was to explore the use of the newly discovered strain-stabilized 2-D interfacial alloys as smart interface bonding alloys (SIBA). These materials will be used as templates for the heteroepitaxial growth of metallic thin films. SIBA are formed by two metallic components which mix at an interface to relieve strain and prevent dislocations from forming in subsequent thin film growth. The composition of the SIBA is determined locally by the amount of strain, and therefore can react smartly to areas of the highest strain to relieve dislocations. In this way, SIBA can be used to tailor the dislocation structure of thin films. This project included growth, characterization and modeling of films grown using SIBA templates. Characterization will include atomic imaging of the dislocations structure, measurement of the mechanical properties of the film using interface force microscopy (IFM) and the nanoindenter, and measurement of the electronic structure of the SIBA with synchrotron photoemission. Resistance of films to sulfidation and oxidation will also be examined. The Paragon parallel processing computer will be used to calculate the structure of the SIBA and thin films in order to develop ability to predict and tailor SIBA and thin film behavior. This work will lead to the possible development of a new class of thin film materials with properties tailored by varying the composition of the SIBA, serving as a buffer layer to relieve the strain between the substrate and the thin film. Such films will have improved mechanical and corrosion resistance allowing application as protective barriers for weapons applications. They will also exhibit enhanced electrical conductivity and reduced electromigration making them particularly suitable for application as interconnects and other electronic needs.

  7. Direct-bonded four-junction GaAs solar cells

    NASA Astrophysics Data System (ADS)

    Jingman, Shen; Lijie, Sun; Kaijian, Chen; Wei, Zhang; Xunchun, Wang

    2015-06-01

    Direct wafer bonding technology is able to integrate two smooth wafers and thus can be used in fabricating III-V multijunction solar cells with lattice mismatch. In order to monolithically interconnect between the GaInP/GaAs and InGaAsP/InGaAs subcells, the bonded GaAs/InP heterojunction must be a highly conductive ohmic junction or a tunnel junction. Three types of bonding interfaces were designed by tuning the conduction type and doping elements of GaAs and InP. The electrical properties of p-GaAs (Zn doped)/n-InP (Si doped), p-GaAs (C doped)/n-InP (Si doped) and n-GaAs (Si doped)/n-InP (Si doped) bonded heterojunctions were analyzed from the I-V characteristics. The wafer bonding process was investigated by improving the quality of the sample surface and optimizing the bonding parameters such as bonding temperature, bonding pressure, bonding time and so on. Finally, GaInP/GaAs/InGaAsP/InGaAs 4-junction solar cells have been prepared by a direct wafer bonding technique with the high efficiency of 34.14% at the AM0 condition (1 Sun). Project supported by the Shanghai Rising-Star Program (No. 14QB1402800).

  8. Experimental study of PDMS bonding to various substrates for monolithic microfluidic applications

    NASA Astrophysics Data System (ADS)

    Gajasinghe, R. W. R. L.; Senveli, S. U.; Rawal, S.; Williams, A.; Zheng, A.; Datar, R. H.; Cote, R. J.; Tigli, O.

    2014-07-01

    This paper presents a comprehensive experimental study and characterization of material and bonding of PDMS based structures to various substrates. A previously published method [1] of bonding is further improved with the inclusion of more substrate material and additional characteristics. Uncured PDMS is used as an adhesive to bond PDMS devices reversibly to various substrates including a number of commonly used substrate materials that are not supported by the widely used plasma treatment method. We have optimized parameters such as PDMS base to curing agent ratio, curing temperature, and PDMS device age to obtain better bond strengths and quality. Bond strengths are presented for semiconductor substrates (silicon, zinc oxide, and silicon dioxide), metals (gold, aluminum), photoresists (SU-8, AZxx) and glass. Silicon based substrates experienced minor amounts of surface residue, but the method is fully reversible for other tested substrates. Bond strengths were measured as maximum endurable pressure between PDMS and substrates. Maximum average bond strengths of more than 0.4?MPa were achieved for substrates with Si-O groups. Other substrates exhibited maximum average bond strengths in the range 0.2-0.3?MPa. Also presented is a method that avoids alignment step for PDMS microfluidic device bonding, named the non-aligned method. This method provides bond strengths of more than 0.1?MPa. Presented methods do not need special equipment or processes such as plasma generators or temperature increases. Biocompatibility tests are performed for materials used in fabrications to ensure applicability in bio-sensing related devices.

  9. Method to improve commercial bonded SOI material

    DOEpatents

    Maris, Humphrey John (Barrington, RI); Sadana, Devendra Kumar (Pleasantville, NY)

    2000-07-11

    A method of improving the bonding characteristics of a previously bonded silicon on insulator (SOI) structure is provided. The improvement in the bonding characteristics is achieved in the present invention by, optionally, forming an oxide cap layer on the silicon surface of the bonded SOI structure and then annealing either the uncapped or oxide capped structure in a slightly oxidizing ambient at temperatures greater than 1200.degree. C. Also provided herein is a method for detecting the bonding characteristics of previously bonded SOI structures. According to this aspect of the present invention, a pico-second laser pulse technique is employed to determine the bonding imperfections of previously bonded SOI structures.

  10. 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.

  11. Mobility in geometrically confined membranes

    PubMed Central

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

    2011-01-01

    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

  12. Geometric precipices in string cosmology

    SciTech Connect

    Kaloper, Nemanja; Watson, Scott

    2008-03-15

    We consider the effects of graviton multiplet fields on transitions between string gas phases. Focusing on the dilaton field, we show that it may obstruct transitions between different thermodynamic phases of the string gas, because the sign of its dimensionally reduced, T-duality invariant, part is conserved when the energy density of the Universe is positive. Thus, many interesting solutions for which this sign is positive end up in a future curvature singularity. Because of this, some of the thermodynamic phases of the usual gravitating string gases behave like superselection sectors. For example, a past-regular Hagedorn phase and an expanding Friedmann-Robertson-Walker (FRW) phase dominated by string momentum modes cannot be smoothly connected in the framework of string cosmology with positive sources. The singularity separates them like a geometric precipice in the moduli space, preventing the dynamics of the theory from bridging across. Sources which simultaneously violate the positivity of energy and null energy condition (NEC) could modify these conclusions. We provide a quantitative measure of positivity of energy and NEC violations that would be necessary for such transitions. These effects must dominate the Universe at the moment of transition, altering the standard gas pictures. At present, it is not known how to construct such sources from first principles in string theory.

  13. 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.

  14. 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.

  15. Low temperature GRISM direct bonding

    NASA Astrophysics Data System (ADS)

    Kalkowski, Gerhard; Harnisch, Gerd; Grabowski, Kevin; Benkenstein, Tino; Ehrhardt, Sascha; Zeitner, Uwe; Risse, Stefan

    2015-09-01

    For spectroscopy in space, GRISM elements -obtained by patterning gratings on a prism surface - are gaining increasing interest. Originally developed as dispersive elements for insertion into an imaging light path without deflecting the beam, they are progressively found in sophisticated multi stage dispersion optics. We report on GRISM manufacturing by joining the individual functional elements -prisms and gratings - to suitable components. Fused silica was used as glass material and the gratings were realized by e-beam lithography und dry etching. Alignment of the grating dispersion direction to the prism angle was realized by passive adjustment. Materials adapted bonds of high transmission, stiffness and strength were obtained at temperatures of about 200°C in vacuum by hydrophilic direct bonding. Examples for bonding uncoated as well as coated fused silica surfaces are given. The results illustrate the great potential of hydrophilic glass direct bonding for manufacturing transmission optics to be used under highly demanding environmental conditions, as typical in space.

  16. Ligand Binding to the Pregnane X Receptor by Geometric Matching of Hydrogen Bonds

    E-print Network

    Kettner, Lutz

    ­ stances in the body, including an estimated 60% of prescrip­ tion drugs, such as the cholesterol­lowering drug SR12813 and antiretroviral drug indinavir. PXR has been implicated in potentially harmful drug

  17. 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.

  18. On geometric factors for neutral particle analyzers.

    PubMed

    Stagner, L; Heidbrink, W W

    2014-11-01

    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. PMID:25430216

  19. Adhesive bonding of aluminum alloys

    SciTech Connect

    Thrall, E.W.; Shannon, R.W.

    1985-01-01

    The topics concerned with the European chromic acid anodize process, the sealed chromic acid anodize, the phosphoric acid anodize, surface analysis, and adhesive selection are discussed. Consideration is given to epoxy adhesives, elevated-temperature-resistant adhesives, the mechanical properties of adhesives, environmental/durability testing, and coatings. Data on the use of chemical analysis for control, the structural analysis of adhesive-bonded joints, tooling design and inspection, nondestructive inspection, and adhesive-bonded aluminum structure repair are presented.

  20. Isotopic fractionation in proteins as a measure of hydrogen bond length

    NASA Astrophysics Data System (ADS)

    McKenzie, Ross H.; Athokpam, Bijyalaxmi; Ramesh, Sai G.

    2015-07-01

    If a deuterated molecule containing strong intramolecular hydrogen bonds is placed in a hydrogenated solvent, it may preferentially exchange deuterium for hydrogen. This preference is due to the difference between the vibrational zero-point energy for hydrogen and deuterium. It is found that the associated fractionation factor ? is correlated with the strength of the intramolecular hydrogen bonds. This correlation has been used to determine the length of the H-bonds (donor-acceptor separation) in a diverse range of enzymes and has been argued to support the existence of short low-barrier H-bonds. Starting with a potential energy surface based on a simple diabatic state model for H-bonds, we calculate ? as a function of the proton donor-acceptor distance R. For numerical results, we use a parameterization of the model for symmetric O-H⋯O bonds [R. H. McKenzie, Chem. Phys. Lett. 535, 196 (2012)]. We consider the relative contributions of the O-H stretch vibration, O-H bend vibrations (both in plane and out of plane), tunneling splitting effects at finite temperature, and the secondary geometric isotope effect. We compare our total ? as a function of R with NMR experimental results for enzymes, and in particular with an earlier model parametrization ?(R), used previously to determine bond lengths.

  1. Geometric flows and black hole entropy

    E-print Network

    Joseph Samuel; Sutirtha Roy Chowdhury

    2007-11-03

    Perelman has given a gradient formulation for the Ricci flow, introducing an ``entropy function'' which increases monotonically along the flow.We pursue a thermodynamic analogy and apply Ricci flow ideas to general relativity. We investigate whether Perelman's entropy is related to (Bekenstein-Hawking)geometric entropy as familiar from black hole thermodynamics. From a study of the fixed points of the flow we conclude that Perelman entropy is not connected to geometric entropy. However, we notice that there is a very similar flow which DOES appear to be connected to geometric entropy. The new flow may find applications in black hole physics suggesting for instance, new approaches to the Penrose inequality.

  2. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: a density functional theory.

    PubMed

    Govindasamy, P; Gunasekaran, S; Ramkumaar, G R

    2014-09-15

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm(-1) and 4000-50 cm(-1) respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated. PMID:24813292

  3. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

    NASA Astrophysics Data System (ADS)

    Govindasamy, P.; Gunasekaran, S.; Ramkumaar, G. R.

    2014-09-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator’s strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated.

  4. 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)

  5. 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.

  6. 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)

  7. A Pure Geometric Approach to Stellar Structure

    E-print Network

    M. I. Wanas; Samah A. Ammar

    2011-09-24

    The present work represents a step to deal with stellar structure using a pure geometric approach. A geometric field theory is used to construct a model for a spherically symmetric configuration. The model obtained can be considered as a pure geometric one in the sense that the tensor describing the material distributions is not a phenomenological object, but a part of the geometric structure used. A general equation of state is obtained from, and not imposed on, the model. The solution obtained shows that there are different zones characterizing the configuration: a central radiation dominant zone, a probable convection zone as a physical interpretation of the singularity of the model and a corona like zone. The model may represent a type of main sequence stars. The present work shows that Einstein's geometerization scheme can be extended to gain more physical information within material distribution, with some advantages.

  8. 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.

  9. 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

  10. Geometric Mechanics -Part I January 23, 2009

    E-print Network

    Rink, Bob

    Geometric Mechanics - Part I Bob Rink January 23, 2009 Contents 1 Mechanical systems 4 1.1 Two Lagrangian mechanics 9 2.1 New position variables . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9-Lagrange equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 2.4 Natural mechanical systems

  11. 36 CFR 228.51 - Bonding.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 2011-07-01 false Bonding. 228.51 Section 228.51 Parks...Materials General Provisions § 228.51 Bonding. (a) Bond requirements...where the authorized officer may waive such bonding. If an extension of time is...

  12. 43 CFR 3474.1 - Bonding requirements.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...2011-10-01 2011-10-01 false Bonding requirements. 3474.1 Section 3474...AND LIMITATIONS Bonds § 3474.1 Bonding requirements. (a) Before a lease...approved by the Director. (c) The bonding obligation for a new lease may be...

  13. 36 CFR 228.51 - Bonding.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 2010-07-01 false Bonding. 228.51 Section 228.51 Parks...Materials General Provisions § 228.51 Bonding. (a) Bond requirements...where the authorized officer may waive such bonding. If an extension of time is...

  14. Bond Valuation for Colleges and Universities.

    ERIC Educational Resources Information Center

    National Association of College and University Business Officers, Washington, DC.

    Bond valuation is examined to provide college administrators a more thorough understanding of the process to help them in developing their market values, or to help them in moving to a market valuation on bond holdings. Two methods presently used to value bonds, a matrix system and a trader quotation method, are described. An overview of bond

  15. CONVERTIBLE BONDS IN A DEFAULTABLE DIFFUSION MODEL

    E-print Network

    Jeanblanc, Monique

    CONVERTIBLE BONDS IN A DEFAULTABLE DIFFUSION MODEL Tomasz R. Bielecki Department of Applied Research Grant PS12918. #12;2 Convertible Bonds in a Defaultable Diffusion Model 1 Introduction In [4), such as Convertible Bonds (CB), and we provided a rigorous decomposition of a CB into a bond component and a (game

  16. 46 CFR Sec. 2 - Amount of bond.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 2011-10-01 2011-10-01 false Amount of bond. Sec. 2 Section 2 Shipping MARITIME ADMINISTRATION, DEPARTMENT...A-NATIONAL SHIPPING AUTHORITY BONDING OF SHIP'S PERSONNEL Sec. 2 Amount of bond. The amount of the bond must be...

  17. 46 CFR Sec. 2 - Amount of bond.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 2012-10-01 2012-10-01 false Amount of bond. Sec. 2 Section 2 Shipping MARITIME ADMINISTRATION, DEPARTMENT...A-NATIONAL SHIPPING AUTHORITY BONDING OF SHIP'S PERSONNEL Sec. 2 Amount of bond. The amount of the bond must be...

  18. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  19. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  20. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  1. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  2. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  3. 7 CFR 1726.27 - Contractor's bonds.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 11 2011-01-01 2011-01-01 false Contractor's bonds. 1726.27 Section 1726.27... AGRICULTURE ELECTRIC SYSTEM CONSTRUCTION POLICIES AND PROCEDURES General § 1726.27 Contractor's bonds. (a) RUS Form 168b, Contractor's Bond, shall be used when a contractor's bond is required by RUS Forms 200,...

  4. 27 CFR 19.516 - Bond account.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Bond account. 19.516... Determination and Payment of Tax § 19.516 Bond account. Where the proprietor has furnished a withdrawal or unit... maximum penal sum, he shall maintain an account of his bond and he shall charge the bond with the...

  5. Oregon School Bond Manual. Fifth Edition.

    ERIC Educational Resources Information Center

    Oregon State Dept. of Education, Salem.

    To help school districts comply with Oregon's school bond laws, this manual provides guidelines for school district attorneys and personnel in the issuance and sale of school bonds. The document describes the proper time sequence of the bonding procedure, including elections, school board authorizations, necessary certificates, bond registration…

  6. Pet Bonding and Pet Bereavement among Adolescents.

    ERIC Educational Resources Information Center

    Brown, Brenda H.; And Others

    1996-01-01

    Studied adolescent-pet bonding and bereavement following pet loss (n=55). Hypothesized that highly-bonded adolescents experience more intense grief when a pet dies than do those less bonded; degree of bonding is greater for girls than for boys; and intensity of bereavement is greater for girls than for boys. Results supported the hypotheses. (RB)

  7. "Vibrational bonding": a new type of chemical bond is discovered.

    PubMed

    Rhodes, Christopher J; Macrae, Roderick M

    2015-01-01

    A long-sought but elusive new type of chemical bond, occurring on a minimum-free, purely repulsive potential energy surface, has recently been convincingly shown to be possible on the basis of high-level quantum-chemical calculations. This type of bond, termed a vibrational bond, forms because the total energy, including the dynamical energy of the nuclei, is lower than the total energy of the dissociated products, including their vibrational zero-point energy. For this to be the case, the ZPE of the product molecule must be very high, which is ensured by replacing a conventional hydrogen atom with its light isotope muonium (Mu, mass = 1/9 u) in the system Br-H-Br, a natural transition state in the reaction between Br and HBr. A paramagnetic species observed in the reaction Mu +Br2 has been proposed as a first experimental sighting of this species, but definitive identification remains challenging. PMID:25942773

  8. Geometrical expression of excess entropy production.

    PubMed

    Sagawa, Takahiro; Hayakawa, Hisao

    2011-11-01

    We derive a geometrical expression of the excess entropy production for quasistatic transitions between nonequilibrium steady states of Markovian jump processes, which can be exactly applied to nonlinear and nonequilibrium situations. The obtained expression is geometrical; the excess entropy production depends only on a trajectory in the parameter space, analogous to the Berry phase in quantum mechanics. Our results imply that vector potentials are needed to construct the thermodynamics of nonequilibrium steady states. PMID:22181372

  9. Noncommutative geometrical structures of entangled quantum states

    E-print Network

    Hoshang Heydari

    2010-07-21

    We study the noncommutative geometrical structures of quantum entangled states. We show that the space of a pure entangled state is a noncommutative space. In particular we show that by rewritten the conifold or the Segre variety we can get a $q$-deformed relation in noncommutative geometry. We generalized our construction into a multi-qubit state. We also in detail discuss the noncommutative geometrical structure of a three-qubit state.

  10. 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.

  11. Geometric Phase Atom Optics and Interferometry

    E-print Network

    Bernard Zygelman

    2015-08-18

    We illustrate how geometric gauge forces and topological phase effects emerge in quantum 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 or neutrons. We outline a possible experimental setup that demonstrates topological interferometry for neutral spin 1/2 systems.

  12. Environmental Effects on the Geometric Phase

    E-print Network

    A. C. Günhan; S. Turgut; N. K. Pak

    2009-12-25

    The behavior of the geometric phase gained by a single spin-1/2 nucleus immersed into a thermal or a squeezed environment is investigated. Both the time dependence of the phase and its value at infinity are examined against several physical parameters. It is observed that for some intermediate ranges of the temperature and the coupling strength, the presence of squeezing enhances the geometric phase.

  13. Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces.

    PubMed

    Stadtmüller, Benjamin; Lüftner, Daniel; Willenbockel, Martin; Reinisch, Eva M; Sueyoshi, Tomoki; Koller, Georg; Soubatch, Serguei; Ramsey, Michael G; Puschnig, Peter; Tautz, F Stefan; Kumpf, Christian

    2014-01-01

    Although geometric and electronic properties of any physical or chemical system are always mutually coupled by the rules of quantum mechanics, counterintuitive coincidences between the two are sometimes observed. The coadsorption of the organic molecules 3,4,9,10-perylene tetracarboxylic dianhydride and copper-II-phthalocyanine on Ag(111) represents such a case, since geometric and electronic structures appear to be decoupled: one molecule moves away from the substrate while its electronic structure indicates a stronger chemical interaction, and vice versa for the other. Our comprehensive experimental and ab-initio theoretical study reveals that, mediated by the metal surface, both species mutually amplify their charge-donating and -accepting characters, respectively. This resolves the apparent paradox, and demonstrates with exceptional clarity how geometric and electronic bonding parameters are intertwined at metal-organic interfaces. PMID:24739211

  14. Bonded Interactions in Silica Polymorphs, Silicates and Siloxane Molecules

    SciTech Connect

    Gibbs, Gerald V.; Wallace, Adam F.; Cox, David F.; Downs, R. T.; Ross, Nancy L.; Rosso, Kevin M.

    2009-08-01

    Experimental model electron density distributions recorded for the silica polymorphs coesite and stishovite are comparable with electron density distributions calculated for a variety of silicates and siloxane molecules. The Si-O bond lengths and Si-O-Si angles calculated with first principles density functional theory methods as a function of pressure are also comparable with the bond lengths and angles observed for coesite and quartz within the experimental error. The similarity of the topological properties of the Si-O bonded interactions and the experimental and the geometry optimized structures for the silica polymorphs provides a basis for understanding the properties and crystal chemistry in terms of a molecular-based model. The agreement supports the argument that the bulk of the structural, physical and thermodynamic properties of the silica polymorphs are intrinsic properties of the molecular-like coordinated polyhedra such that the silica polymorphs can be pictured as ‘supermolecules’ of silica bound by the virtually same forces that bind the Si and O atoms in simple siloxane molecules. The topology of the electron density distribution is consistent with the assertion that the Si-O bonded interaction arises from the net electrostatic attraction exerted on the nuclei by the electron density accumulated between the Si and O atoms. The correlation between the Si-O bond length and Si-O-Si angle is ascribed to the progressive local concentration of the electron density in the nonbonded region of the O atom as the bond length increases and angle decreases rather then to bonded interactions involving the d-orbitals on Si. On the basis of the proximity of the bond critical point, rc, to the nodal surface of the Laplacian, ?2?(rc), and the values of ?(rc) and G(rc)/?(rc), the Si-O bond qualifies as an intermediate bonded interaction. For bonded interactions of intermediate character, ?2?(rc) increases linearly as ?(rc) increases, the greater the shared character, the larger the value of ?2?(rc). In addition, a mapping of ?2?(r) serves to highlight those Lewis base domains that are susceptible to electrophilic attack by H like the O atom in coesite involved in bent Si-O-Si angles, the narrower the angle, the greater the affinity for H . On the basis of the net charges conferred on the Si and O atoms and the bonded radii of the two atoms, the Si-O bond of stishovite with six-coordinated Si and three-coordinated O is indicated to be more ionic in character than that in quartz with four-coordinated Si and two coordinated O. Unlike the conclusion reached for ionic and crystal radii (quantum mechanical unobservables), it is the bonded radius of the O atom that increases with the increasing coordination number of Si, not the radius of the Si atom. The modeling of the electron density distributions for quartz, coesite and beryl as a function of pressure indicates that the shared character of the bonded interactions in these minerals increases slightly with increasing pressure. The insight provided by the calculations and the modeling of the electron density distributions and the structures of the silica polymorphs bodes well for future Earth materials studies that are expected to improve and clarify our understanding of the connection between properties and structure within the framework of quantum mechanical observables, to find new and improved uses and to predict new properties for materials and to enhance our understanding of crystal chemistry and chemical reactions of materials in their natural environment at the atomic level

  15. Three methods to measure RH bond energies

    SciTech Connect

    Berkowitz, J.; Ellison, G.B.; Gutman, D.

    1993-03-21

    In this paper the authors compare and contrast three powerful methods for experimentally measuring bond energies in polyatomic molecules. The methods are: radical kinetics; gas phase acidity cycles; and photoionization mass spectroscopy. The knowledge of the values of bond energies are a basic piece of information to a chemist. Chemical reactions involve the making and breaking of chemical bonds. It has been shown that comparable bonds in polyatomic molecules, compared to the same bonds in radicals, can be significantly different. These bond energies can be measured in terms of bond dissociation energies.

  16. Hodograph analysis in aircraft trajectory optimization

    NASA Technical Reports Server (NTRS)

    Cliff, Eugene M.; Seywald, Hans; Bless, Robert R.

    1993-01-01

    An account is given of key geometrical concepts involved in the use of a hodograph as an optimal control theory resource which furnishes a framework for geometrical interpretation of the minimum principle. Attention is given to the effects of different convexity properties on the hodograph, which bear on the existence of solutions and such types of controls as chattering controls, 'bang-bang' control, and/or singular control. Illustrative aircraft trajectory optimization problems are examined in view of this use of the hodograph.

  17. The Influence of Casing-Sand Adhesion on Cementing Bond Strength

    PubMed Central

    Zhao, Xiaofeng; Guan, Zhichuan; Xu, Minglei; Shi, Yucai; Liao, Hualin; Sun, Jia

    2015-01-01

    In the petroleum industry, one of the most serious problems encountered during cementing is the failure at the bonding interface. Many measures including casing-sand adhesion have been developed to improve cementing bond strength. However, due to the lack of detailed study of the technique, many questions remain. The primary goal of this study is to investigate the influence of casing-sand adhesion on cementing bond strength, and to optimize parameters. An orthogonal experiment and a supplementary experiment were conducted. The results indicated that casing-sand adhesion can improve the cementing bond strength. The priority orders of key factors are: sand grain size, sand coverage, adhesive curing temperature and adhesive curing time. The optimal parameters recommended for application are: 1.6mm~1.9mm sand grain size, 60%~70% sand coverage, 30°C curing temperature and 60 hours curing time. PMID:26115343

  18. Comparison of the proton-transfer path in hydrogen bonds from theoretical potential-energy surfaces and the concept of conservation of bond order. II. (N-H...N)(+) hydrogen bonds.

    PubMed

    Majerz, Irena; Olovsson, Ivar

    2007-08-01

    The quantum-mechanically derived reaction coordinates (QMRC) for the proton transfer in (N-H-N)(+) hydrogen bonds have been derived from ab initio calculations of potential-energy surfaces. A comparison is made between the QMRC and the corresponding bond-order reaction coordinates (BORC) derived by applying the Pauling bond-order concept together with the principle of conservation of bond order. We find virtually perfect agreement between the QMRC and the BORC for intermolecular (N-H-N)(+) hydrogen bonds. In contrast, for intramolecular (N-H-N)(+) hydrogen bonds, the donor and acceptor parts of the molecule impose strong constraints on the N-N distance and the QMRC does not follow the BORC relation in the whole range. The X-ray determined hydrogen positions are not located exactly at the theoretically calculated potential-energy minima, but instead at the point where the QMRC and the BORC coincide with each other. On the other hand, the optimized hydrogen positions, with other atoms in the cation fixed as in the crystal structure, are closer to these energy minima. Inclusion of the closest neighbours in the theoretical calculations has a rather small effect on the optimized hydrogen positions. [Part I: Olovsson (2006). Z. Phys. Chem. 220, 797-810.]. PMID:17641436

  19. Gas Phase Detection of the NH-P Hydrogen Bond and Importance of Secondary Interactions.

    PubMed

    Møller, Kristian H; Hansen, Anne S; Kjaergaard, Henrik G

    2015-11-01

    We have observed the NH···P hydrogen bond in a gas phase complex. The bond is identified in the dimethylamine-trimethylphosphine complex by a red shift of the fundamental NH-stretching frequency observed using Fourier transform infrared spectroscopy (FT-IR). On the basis of the measured NH-stretching frequency red shifts, we find that P is a hydrogen bond acceptor atom similar in strength to S. Both are stronger acceptors than O and significantly weaker acceptors than N. The hydrogen bond angle, ?NHP, is found to be very sensitive to the functional employed in density functional theory (DFT) optimizations of the complex and is a possible parameter to assess the quality of DFT functionals. Natural bonding orbital (NBO) energies and results from the topological methods atoms in molecules (AIM) and noncovalent interactions (NCI) indicate that the sensitivity is caused by the weakness of the hydrogen bond compared to secondary interactions. We find that B3LYP favors the hydrogen bond and M06-2X favors the secondary interactions leading to under- and overestimation, respectively, of the hydrogen bond angle relative to a DF-LCCSD(T)-F12a calculated angle. The remaining functionals tested, B3LYP-D3, B3LYP-D3BJ, CAM-B3LYP, and ?B97X-D, as well as MP2, show comparable contributions from the hydrogen bond and the secondary interactions and are close to DF-LCCSD(T)-F12a results. PMID:26451467

  20. Transient liquid phase ceramic bonding

    DOEpatents

    Glaeser, Andreas M. (Berkeley, CA)

    1994-01-01

    Ceramics are joined to themselves or to metals using a transient liquid phase method employing three layers, one of which is a refractory metal, ceramic or alloy. The refractory layer is placed between two metal layers, each of which has a lower melting point than the refractory layer. The three layers are pressed between the two articles to be bonded to form an assembly. The assembly is heated to a bonding temperature at which the refractory layer remains solid, but the two metal layers melt to form a liquid. The refractory layer reacts with the surrounding liquid and a single solid bonding layer is eventually formed. The layers may be designed to react completely with each other and form refractory intermetallic bonding layers. Impurities incorporated into the refractory metal may react with the metal layers to form refractory compounds. Another method for joining ceramic articles employs a ceramic interlayer sandwiched between two metal layers. In alternative embodiments, the metal layers may include sublayers. A method is also provided for joining two ceramic articles using a single interlayer. An alternate bonding method provides a refractory-metal oxide interlayer placed adjacent to a strong oxide former. Aluminum or aluminum alloys are joined together using metal interlayers.

  1. Welding, Bonding and Fastening, 1984

    NASA Technical Reports Server (NTRS)

    Buckley, J. D. (editor); Stein, B. A. (editor)

    1985-01-01

    A compilation of papers presented in a joint NASA, American Society for Metals, The George Washington University, American Welding Soceity, and Society of Manufacturing Engineers conference on Welding, Bonding, and Fastening at Langley Research Center, Hampton, VA, on October 23 to 25, 1984 is given. Papers were presented on technology developed in current research programs relevant to welding, bonding, and fastening of structural materials required in fabricating structures and mechanical systems used in the aerospace, hydrospace, and automotive industries. Topics covered in the conference included equipment, hardware and materials used when welding, brazing, and soldering, mechanical fastening, explosive welding, use of unique selected joining techniques, adhesives bonding, and nondestructive evaluation. A concept of the factory of the future was presented, followed by advanced welding techniques, automated equipment for welding, welding in a cryogenic atmosphere, blind fastening, stress corrosion resistant fasteners, fastening equipment, explosive welding of different configurations and materials, solid-state bonding, electron beam welding, new adhesives, effects of cryogenics on adhesives, and new techniques and equipment for adhesive bonding.

  2. Evaluation of geometrical contributions to the spread of the Compton-scatter energy distribution

    NASA Astrophysics Data System (ADS)

    Hanson, A. L.; Gigante, G. E.

    1989-07-01

    The spectrum from Compton-scattered x rays is an inherently broad distribution. This distribution is the sum of several Gaussian-like distributions, which gives the sum its unique shape. The Gaussian-like distributions are the result of convoluting the so-called Compton profile, the spread in the scattered-x-ray energies due to the momentum distributions of the target electrons, with the detector response and the geometrical effects. The distribution is then further modified by the absorption within the sample. A formulation for both qualitatively and quantitatively determining the magnitude of the geometrical contributions is presented. This formulation is based on a recently devised approach to the scattering geometry [Hanson, Gigante, Meron, Phys. Rev. Lett. 61, 135 (1988)]. A methodology for determining the geometrical spread in the energy of the scattered x rays is presented. The results can be conveniently used to optimize scattering geometries for the reduction of the geometry-caused spread.

  3. Sulfur K-Edge XAS and DFT Calculations on NitrileHydratase: Geometric and Electronic Structure of the Non-heme Iron Active Site

    SciTech Connect

    Dey, Abhishek; Chow, Marina; Taniguchi, Kayoko; Lugo-Mas, Priscilla; Davin, Steven; Maeda, Mizuo; Kovacs, Julie A.; Odaka, Masafumi; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.; /SLAC, SSRL

    2006-09-28

    The geometric and electronic structure of the active site of the non-heme iron enzyme nitrile hydratase (NHase) is studied using sulfur K-edge XAS and DFT calculations. Using thiolate (RS{sup -})-, sulfenate (RSO{sup -})-, and sulfinate (RSO{sub 2}{sup -})-ligated model complexes to provide benchmark spectral parameters, the results show that the S K-edge XAS is sensitive to the oxidation state of S-containing ligands and that the spectrum of the RSO- species changes upon protonation as the S-O bond is elongated (by {approx}0.1 {angstrom}). These signature features are used to identify the three cysteine residues coordinated to the low-spin Fe{sup III} in the active site of NHase as CysS{sup -}, CysSOH, and CysSO{sub 2}{sup -} both in the NO-bound inactive form and in the photolyzed active form. These results are correlated to geometry-optimized DFT calculations. The pre-edge region of the X-ray absorption spectrum is sensitive to the Z{sub eff} of the Fe and reveals that the Fe in [FeNO]{sup 6} NHase species has a Z{sub eff} very similar to that of its photolyzed Fe{sup III} counterpart. DFT calculations reveal that this results from the strong {pi} back-bonding into the {pi}* antibonding orbital of NO, which shifts significant charge from the formally t{sub 2}{sup 6} low-spin metal to the coordinated NO.

  4. 26 CFR 1.103-7 - Industrial development bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...leasing property is not material, and the bonds are industrial development bonds...The bonds are not industrial development bonds...general public is not material. Example 11...The bonds are not industrial development...

  5. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... distilled spirits plant and adjacent bonded wine cellar. 19.162 Section 19.162 Alcohol, Tobacco Products and... bond for distilled spirits plant and adjacent bonded wine cellar. (a) One bond satisfying two requirements. A proprietor who operates a bonded wine cellar that is adjacent to the proprietor's...

  6. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... distilled spirits plant and adjacent bonded wine cellar. 19.162 Section 19.162 Alcohol, Tobacco Products and... bond for distilled spirits plant and adjacent bonded wine cellar. (a) One bond satisfying two requirements. A proprietor who operates a bonded wine cellar that is adjacent to the proprietor's...

  7. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... distilled spirits plant and adjacent bonded wine cellar. 19.162 Section 19.162 Alcohol, Tobacco Products and... bond for distilled spirits plant and adjacent bonded wine cellar. (a) One bond satisfying two requirements. A proprietor who operates a bonded wine cellar that is adjacent to the proprietor's...

  8. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... distilled spirits plant and adjacent bonded wine cellar. 19.162 Section 19.162 Alcohol, Tobacco Products and... bond for distilled spirits plant and adjacent bonded wine cellar. (a) One bond satisfying two requirements. A proprietor who operates a bonded wine cellar that is adjacent to the proprietor's...

  9. 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 (friction), dissipation usually results helping the mitigation of the stress wave and is illustrated in this study with the taper and spiral geometries. The combined taper and spiral optimized stress wave mitigation in terms of the pressure and impulse; thus providing insight into the ram's horn design and woodpecker hyoid designs found in nature. PMID:24362893

  10. A geometrical link between the circle and sexagesimal system

    E-print Network

    Jaime Vladimir Torres-Heredia Julca

    2007-07-04

    This paper presents a simple geometrical fact which could relate to the history of mathematics and astronomy. This fact shows a natural link between the circle and the multiples of 6 and it makes it possible to obtain a simple representation of the 12 months of the year, the 24 hours of the day, the 30 days (average number) of the month and the 360 days (approximate number) of the year, which brings us closer to the sexagesimal division of time. Moreover this representation reminds one of the movement of the planets around a centre. Using this fact one will be able also to find geometrically the principal divisor of number 60, to represent numbers in base 60 with a kind of abacus or calculation table and to make a division of the circle into 6 and 12 equal parts. Afterwards one will be able to obtain a division in 360 unequal parts but relatively close to one another, and the goal isn't precisely to obtain an optimal division of the circle in 360 equal parts but to prove that the idea to divide the circle in 360 equal parts can subsequently be suggested by these geometrical facts that have been showed. In this article the author will not answer the following questions: a) What is the origin of the sexagesimal system? b) By which way could one manage to adopt the sexagesimal system starting from the knowledge of the facts exposed in this article and starting from the knowledge of the astronomical data? These questions could be treated, using information of this article, by the readers or later on by the author.

  11. Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO-LUMO energy, Mulliken charge and thermodynamic analysis of N?-hydroxy-pyrimidine-2-carboximidamide by DFT approach

    NASA Astrophysics Data System (ADS)

    Jeeva Jasmine, N.; Thomas Muthiah, P.; Arunagiri, C.; Subashini, A.

    2015-06-01

    The FT-IR, FT-Raman, 1H, 13C NMR and UV-Visible spectral measurements of N?-hydroxy-pyrimidine-2-carboximidamide (HPCI) and complete analysis of the observed spectra have been proposed. DFT calculation has been performed and the structural parameters of the compound was determined from the optimized geometry with 6-311+G(d,p) basis set and giving energies, harmonic vibrational frequencies and force constants. The results of the optimized molecular structure are presented and compared with the experimental. The geometric parameters, harmonic vibrational frequencies and chemical shifts were compared with the experimental data of the molecule. The title compound, C5H6N4O, is approximately planar, with an angle of 11.04 (15)°. The crystal structure is also stabilized by intermolecular N-H⋯O, N-H⋯N, O-H⋯N, C-H⋯O hydrogen bond and offset ?-? stacking interactions. The influences of hydroxy and carboximidamide groups on the skeletal modes and proton chemical shifts have been investigated. Moreover, we have not only simulated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) but also determined the transition state and band gap. The kinetic, thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intermolecular electronic interactions and their stabilization energy. The thermodynamic properties like entropies and their correlations with temperatures were also obtained from the harmonic frequencies of the optimized structure.

  12. Analysis of hydrogen-bond interaction potentials from the electron density: Integration of NCI regions

    PubMed Central

    Contreras-García, Julia; Yang, Weitao; Johnson, Erin R.

    2013-01-01

    Hydrogen bonds are of crucial relevance to many problems in chemistry biology and materials science. The recently-developed NCI (Non-Covalent Interactions) index enables real-space visualization of both attractive (van der Waals and hydrogen-bonding) and repulsive (steric) interactions based on properties of the electron density It is thus an optimal index to describe the interplay of stabilizing and de-stabilizing contributions that determine stable minima on hydrogen-bonding potential-energy surfaces (PESs). In the framework of density-functional theory energetics are completely determined by the electron density Consequently NCI will be shown to allow quantitative treatment of hydrogen-bond energetics. The evolution of NCI regions along a PES follows a well-behaved pattern which, upon integration of the electron density is capable of mimicking conventional hydrogen-bond interatomic potentials. PMID:21786796

  13. Bond alternation in phosphonitrilic compounds

    NASA Astrophysics Data System (ADS)

    Ferris, Kim F.; Risser, S. M.

    1990-11-01

    The molecular structures of linear phosphonitrilic compounds demonstrate a dependence on the number of repeat units and on ligand electronegativity. Recent structural measurements of short length phosphonitrilic molecules have indicated the presence of bond alternation, in contrast to previous X-ray studies of the polymer itself. Ab initio electronic structure calculations have been performed on a series of short phosphonitrilic compounds H3P(NPH2)nNH, n=1-4, which show that bond alternation does exist for the small chain compounds. The behavior of the alternation as the number of repeat units is increased suggests that alternation continues into the infinite limit.

  14. To Bond or Not to Bond? That Is the Question

    ERIC Educational Resources Information Center

    Balzer, Wayne E.

    2015-01-01

    This case, inspired by a real school district scenario, was developed for use in a graduate-level course in school finance. James Spencer had just been selected as the new superintendent of a low-income, 400-student, rural school district in need of many capital improvements. The previous superintendent had refused to hold a bond election because…

  15. Transient low-barrier hydrogen bond in the photoactive state of green fluorescent protein.

    PubMed

    Nadal-Ferret, Marc; Gelabert, Ricard; Moreno, Miquel; Lluch, José M

    2015-11-18

    In this paper, we have analyzed the feasibility of spontaneous proton transfer in GFP at the Franck-Condon region directly after photoexcitation. Computation of a sizeable portion of the potential energy surface at the Franck-Condon region of the structure shows the process of proton transfer to be unfavorable by 3 kcal mol(-1) in S1 if no further structural relaxation is permitted. The ground vibrational state is found to lie above the potential energy barrier of the proton transfer in both S0 and S1. Expectation values of the geometry reveal that the proton shared between the chromophore and W22, and the proton shared between Ser205 and Glu222 are very close to the center of the respective hydrogen bonds, giving support to the claim that the first transient intermediate detected after photoexcitation (0*) has characteristics similar to those of a low-barrier hydrogen bond [Di Donato et al., Phys. Chem. Chem. Phys., 2012, 13, 16295]. A quantum dynamical calculation of the evolution in the excited state shows an even larger probability of finding those two protons close to the center compared to in the ground state, but no formation of the proton-transferred product is observed. A QM/MM photoactive state geometry optimization, initiated using a configuration obtained by taking the minimum and moving the protons to the product side, yields a minimum energy structure with the protons transferred and in which the His148 residue is substantially closer to the now anionic chromophore. These results indicate that: (1) proton transfer is not possible if structural relaxation of the surroundings of the chromophore is prevented; (2) protons H1 and H3 especially are found very close to the point halfway between the donor and acceptor after photoexcitation when the zero-point energy is considered; (3) a geometrical parameter exists (the His148-Cro distance) under which the structure with the protons transferred is not a minimum, and that, if included, should lead to the fluorescing * structure. The existence of an oscillating stationary state between the reactants and products of the triple proton transfer reaction can explain the dual emission reported for the 0* intermediate of wtGFP. PMID:25953497

  16. 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…

  17. 9/15 Optics 1 /11 GEOMETRIC OPTICS

    E-print Network

    Gustafsson, Torgny

    9/15 Optics 1 /11 GEOMETRIC OPTICS PURPOSE: To review the basics of geometric optics and to observe for recording. Geometric optics ignores the true electromagnetic wave nature of light and assumes instead these rules. Object-Image Relations for Lenses -- In geometrical optics we can get a good intuitive feeling

  18. Geometrical aspects in optical wave-packet dynamics.

    PubMed

    Onoda, Masaru; Murakami, Shuichi; Nagaosa, Naoto

    2006-12-01

    We construct a semiclassical theory for propagation of an optical wave packet in a nonconducting medium with a periodic structure of dielectric permittivity and magnetic permeability, i.e., a nonconducting photonic crystal. We employ a quantum-mechanical formalism in order to clarify its link to those of electronic systems. It involves the geometrical phase, i.e., Berry's phase, in a natural way, and describes an interplay between orbital motion and internal rotation. Based on the above theory, we discuss the geometrical aspects of the optical Hall effect. We also consider a reduction of the theory to a system without periodic structure and apply it to the transverse shift of an optical beam at an interface reflection or refraction. For a generic incident beam with an arbitrary polarization, an identical result for the transverse shift of each reflected or transmitted beam is given by the following different approaches: (i) analytic evaluation of wave-packet dynamics, (ii) total angular momentum (TAM) conservation for individual photons, and (iii) numerical simulation of wave-packet dynamics. It is consistent with a result by classical electrodynamics. This means that the TAM conservation for individual photons is already taken into account in wave optics, i.e., classical electrodynamics. Finally, we show an application of our theory to a two-dimensional photonic crystal, and propose an optimal design for the enhancement of the optical Hall effect in photonic crystals. PMID:17280165

  19. Geometrical aspects in optical wave-packet dynamics

    NASA Astrophysics Data System (ADS)

    Onoda, Masaru; Murakami, Shuichi; Nagaosa, Naoto

    2006-12-01

    We construct a semiclassical theory for propagation of an optical wave packet in a nonconducting medium with a periodic structure of dielectric permittivity and magnetic permeability, i.e., a nonconducting photonic crystal. We employ a quantum-mechanical formalism in order to clarify its link to those of electronic systems. It involves the geometrical phase, i.e., Berry’s phase, in a natural way, and describes an interplay between orbital motion and internal rotation. Based on the above theory, we discuss the geometrical aspects of the optical Hall effect. We also consider a reduction of the theory to a system without periodic structure and apply it to the transverse shift of an optical beam at an interface reflection or refraction. For a generic incident beam with an arbitrary polarization, an identical result for the transverse shift of each reflected or transmitted beam is given by the following different approaches: (i) analytic evaluation of wave-packet dynamics, (ii) total angular momentum (TAM) conservation for individual photons, and (iii) numerical simulation of wave-packet dynamics. It is consistent with a result by classical electrodynamics. This means that the TAM conservation for individual photons is already taken into account in wave optics, i.e., classical electrodynamics. Finally, we show an application of our theory to a two-dimensional photonic crystal, and propose an optimal design for the enhancement of the optical Hall effect in photonic crystals.

  20. Mechanics of Tunable Helices and Geometric Frustration in Biomimetic Seashells

    E-print Network

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

    2013-12-11

    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, adds 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.

  1. Fabrication of two dimensional polyethylene terephthalate nanofluidic chip using hot embossing and thermal bonding technique

    PubMed Central

    Yin, Zhifu; Zou, Helin; Chen, Li; Xu, Shenbo

    2014-01-01

    We present in this paper a method for obtaining a low cost and high replication precision 2D (two dimensional) nanofluidic chip with a PET (polyethylene terephthalate) sheet, which uses hot embossing and a thermal bonding technique. The hot embossing process parameters were optimized by both experiments and the finite element method to improve the replication precision of the 2D nanochannels. With the optimized process parameters, 174.67?±?4.51?nm wide and 179.00?±?4.00?nm deep nanochannels were successfully replicated into the PET sheet with high replication precision of 98.4%. O2 plasma treatment was carried out before the bonding process to decrease the dimension loss and improve the bonding strength of the 2D nanofluidic chip. The bonding parameters were optimized by bonding rate of the nanofluidic chip. The experiment results show that the bonding strength of the 2D PET nanofluidic chip is 0.664?MPa, and the total dimension loss of 2D nanochannels is 4.34?±?7.03?nm and 18.33?±?9.52?nm, in width and depth, respectively. The fluorescence images demonstrate that there is no blocking or leakage over the entire micro- and nanochannels. With this fabrication technology, low cost polymer nanochannels can be fabricated, which allows for commercial manufacturing of nano-components. PMID:25553203

  2. Optimization of Heat Exchangers

    SciTech Connect

    Ivan Catton

    2010-10-01

    The objective of this research is to develop tools to design and optimize heat exchangers (HE) and compact heat exchangers (CHE) for intermediate loop heat transport systems found in the very high temperature reator (VHTR) and other Generation IV designs by addressing heat transfer surface augmentation and conjugate modeling. To optimize heat exchanger, a fast running model must be created that will allow for multiple designs to be compared quickly. To model a heat exchanger, volume averaging theory, VAT, is used. VAT allows for the conservation of mass, momentum and energy to be solved for point by point in a 3 dimensional computer model of a heat exchanger. The end product of this project is a computer code that can predict an optimal configuration for a heat exchanger given only a few constraints (input fluids, size, cost, etc.). As VAT computer code can be used to model characteristics )pumping power, temperatures, and cost) of heat exchangers more quickly than traditional CFD or experiment, optimization of every geometric parameter simultaneously can be made. Using design of experiment, DOE and genetric algorithms, GE, to optimize the results of the computer code will improve heat exchanger disign.

  3. Relation between bond-length alternation and second electronic hyperpolarizability of conjugated organic molecules

    NASA Technical Reports Server (NTRS)

    Marder, Seth R.; Perry, Joseph W.; Bourhill, Grant; Gorman, Christopher B.; Tiemann, Bruce G.; Mansour, Kamojou

    1993-01-01

    The solvent dependence of the second hyperpolarizability, gamma, of a variety of unsaturated organic compounds has been measured by third harmonic generation at 1907 nanometers. It is seen that the measured gamma is a function of solvent polarity. These solvent-dependent hyperpolarizabilities are associated with changes in molecular geometry from a highly bond-length alternated, polyenelike structure for a formyl-substituted compound in nonpolar solvents, to a cyaninelike structure, with little bond-length alternation, for a dicyanovinyl-substituted compound in polar solvents. By tuning bond-length alternation, gamma can be optimized in either a positive or negative sense for polymethine dyes of a given conjugation length.

  4. Effect of Pd Surface Roughness on the Bonding Process and High Temperature Reliability of Au Ball Bonds

    NASA Astrophysics Data System (ADS)

    Huang, Y.; Kim, H. J.; McCracken, M.; Viswanathan, G.; Pon, F.; Mayer, M.; Zhou, Y. N.

    2011-06-01

    A 0.3- ?m-thick electrolytic Pd layer was plated on 1 ?m of electroless Ni on 1 mm-thick polished and roughened Cu substrates with roughness values ( R a) of 0.08 ?m and 0.5 ?m, respectively. The rough substrates were produced with sand-blasting. Au wire bonding on the Ni/Pd surface was optimized, and the electrical reliability was investigated under a high temperature storage test (HTST) during 800 h at 250°C by measuring the ball bond contact resistance, R c. The average value of R c of optimized ball bonds on the rough substrate was 1.96 m? which was about 40.0% higher than that on the smooth substrate. The initial bondability increased for the rougher surface, so that only half of the original ultrasonic level was required, but the reliability was not affected by surface roughness. For both substrate types, HTST caused bond healing, reducing the average R c by about 21% and 27%, respectively. Au diffusion into the Pd layer was observed in scanning transmission electron microscopy/ energy dispersive spectroscopy (STEM-EDS) line-scan analysis after HTST. It is considered that diffusion of Au or interdiffusion between Au and Pd can provide chemically strong bonding during HTST. This is supported by the R c decrease measured as the aging time increased. Cu migration was indicated in the STEM-EDS analysis, but its effect on reliability can be ignored. Au and Pd tend to form a complete solid solution at the interface and can provide reliable interconnection for high temperature (250°C) applications.

  5. 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.

  6. Hydrogen bonds in complexes of phosphonic and metylphosphonic acids with dimethylformamide

    NASA Astrophysics Data System (ADS)

    Khatuntseva, E. A.; Krest'yaninov, M. A.; Fedorova, I. V.; Kiselev, M. G.; Safonova, L. P.

    2015-12-01

    The structures of the hydrogen-bonded complexes of phosphonic and metylphosphonic acids with dimethylformamide (DMF) were calculated by the DFT/B3LYP, DFT/M06, and MP2 methods in the 6-31++G( d, p), 6-311++G( d, p), and cc-PVTZ basis sets. The geometrical parameters of hydrogen bonds, intermolecular interaction energies, and frequency shifts of hydroxyl group vibrations of the acid during hydrogen bonding were calculated. An NBO analysis was performed; the stabilization energy E stab and the charge q ct transferred from the orbitals of the lone electron pairs of the oxygen atom of the DMF molecules to the antibonding orbital of the hydroxyl groups of phosphonic and metylphosphonic acids were determined. The obtained values were compared with the corresponding literature data for phosphoric acid complexes.

  7. Influence of bonding layer on effective electromechanical properties of macro-fiber composites (MFCs)

    NASA Astrophysics Data System (ADS)

    Sreenivasa Prasath, S.; Arockiarajan, A.

    2014-09-01

    An analytical model based on an equivalent layered approach using iso-field assumptions is proposed to find the effect of bonding layers on the effective properties of macro-fiber composites (MFCs). To account for the interdigitated electrode pattern and geometric (shape and position) properties, a finite element analysis is carried out using the representative volume element (RVE) method. The simulated results based on the proposed analytical and numerical models are compared and validated with the data available from the manufacturer and a mixing rules model available in the literature. Experiments are performed on MFCs under pure electrical loading to measure a few coupling constants and the results are compared with simulated results. A parametric study is conducted to investigate the variations of the overall material behavior of MFCs with respect to bonding layer thickness. The present study examines the influence of bonding the layer on the effective properties of MFCs.

  8. 76 FR 14746 - Surety Companies Acceptable on Federal Bonds Change in State of Incorporation; Western Bonding...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-17

    ...on Federal Bonds Change in State of Incorporation; Western Bonding Company; Western Insurance Company AGENCY: Financial Management...SUPPLEMENTARY INFORMATION: Notice is hereby given that Western Bonding Company (NAIC 13191) and Western Insurance Company...

  9. 77 FR 553 - Surety Companies Acceptable on Federal Bonds: Termination; Western Bonding Company

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-05

    ...Companies Acceptable on Federal Bonds: Termination; Western Bonding Company AGENCY: Financial Management Service, Fiscal Service...Certificate of Authority issued by the Treasury to Western Bonding Company (NAIC 13191) under 31 U.S.C. 9305 to...

  10. Bond Underwriter Costs: Texas School Districts and the Hidden Cost of Issuing Bonds 

    E-print Network

    Stasny, Mary Knetsar

    2011-02-22

    The purpose of this study was to investigate possible relationships between school district characteristics and bond underwriter costs for Texas independent school districts. Bond data for all school districts issuing bonds in the five-year period...

  11. Optimal protocols for slowly driven quantum systems

    NASA Astrophysics Data System (ADS)

    Zulkowski, Patrick R.; DeWeese, Michael R.

    2015-09-01

    The design of efficient quantum information processing will rely on optimal nonequilibrium transitions of driven quantum systems. Building on a recently developed geometric framework for computing optimal protocols for classical systems driven in finite time, we construct a general framework for optimizing the average information entropy for driven quantum systems. Geodesics on the parameter manifold endowed with a positive semidefinite metric correspond to protocols that minimize the average information entropy production in finite time. We use this framework to explicitly compute the optimal entropy production for a simple two-state quantum system coupled to a heat bath of bosonic oscillators, which has applications to quantum annealing.

  12. Optimal protocols for slowly driven quantum systems.

    PubMed

    Zulkowski, Patrick R; DeWeese, Michael R

    2015-09-01

    The design of efficient quantum information processing will rely on optimal nonequilibrium transitions of driven quantum systems. Building on a recently developed geometric framework for computing optimal protocols for classical systems driven in finite time, we construct a general framework for optimizing the average information entropy for driven quantum systems. Geodesics on the parameter manifold endowed with a positive semidefinite metric correspond to protocols that minimize the average information entropy production in finite time. We use this framework to explicitly compute the optimal entropy production for a simple two-state quantum system coupled to a heat bath of bosonic oscillators, which has applications to quantum annealing. PMID:26465432

  13. Bond Coat Engineering Influence on the Evolution of the Microstructure, Bond Strength, and Failure of TBCs Subjected to Thermal Cycling

    NASA Astrophysics Data System (ADS)

    Lima, R. S.; Nagy, D.; Marple, B. R.

    2015-01-01

    Different types of thermal spray systems, including HVOF (JP5000 and DJ2600-hybrid), APS (F4-MB and Axial III), and LPPS (Oerlikon Metco system) were employed to spray CoNiCrAlY bond coats (BCs) onto Inconel 625 substrates. The chemical composition of the BC powder was the same in all cases; however, the particle size distribution of the powder employed with each torch was that specifically recommended for the torch. For optimization purposes, these BCs were screened based on initial evaluations of roughness, porosity, residual stress, relative oxidation, and isothermal TGO growth. A single type of standard YSZ top coat was deposited via APS (F4MB) on all the optimized BCs. The TBCs were thermally cycled by employing a furnace cycle test (FCT) (1080 °C-1 h—followed by forced air cooling). Samples were submitted to 10, 100, 400, and 1400 cycles as well as being cycled to failure. The behavior of the microstructures, bond strength values (ASTM 633), and the TGO evolution of these TBCs, were investigated for the as-sprayed and thermally cycled samples. During FCT, the TBCs found to be both the best and poorest performing and had their BCs deposited via HVOF. The results showed that engineering low-oxidized BCs does not necessarily lead to an optimal TBC performance. Moreover, the bond strength values decrease significantly only when the TBC is about to fail (top coat spall off) and the as-sprayed bond strength values cannot be used as an indicator of TBC performance.

  14. Morphing of Geometric Composites via Residual Swelling

    E-print Network

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

    2015-05-30

    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.

  15. Geometric modeling of pelvic organs with thickness

    NASA Astrophysics Data System (ADS)

    Bay, T.; Chen, Z.-W.; Raffin, R.; Daniel, M.; Joli, P.; Feng, Z.-Q.; Bellemare, M.-E.

    2012-03-01

    Physiological changes in the spatial configuration of the internal organs in the abdomen can induce different disorders that need surgery. Following the complexity of the surgical procedure, mechanical simulations are necessary but the in vivo factor makes complicate the study of pelvic organs. In order to determine a realistic behavior of these organs, an accurate geometric model associated with a physical modeling is therefore required. Our approach is integrated in the partnership between a geometric and physical module. The Geometric Modeling seeks to build a continuous geometric model: from a dataset of 3D points provided by a Segmentation step, surfaces are created through a B-spline fitting process. An energy function is built to measure the bidirectional distance between surface and data. This energy is minimized with an alternate iterative Hoschek-like method. A thickness is added with an offset formulation, and the geometric model is finally exported in a hexahedral mesh. Afterward, the Physical Modeling tries to calculate the properties of the soft tissues to simulate the organs displacements. The physical parameters attached to the data are determined with a feedback loop between finite-elements deformations and ground-truth acquisition (dynamic MRI).

  16. Non-bonded ultrasonic transducer

    DOEpatents

    Eoff, J.M.

    1984-07-06

    A mechanically assembled non-bonded ultrasonic transducer includes a substrate, a piezoelectric film, a wetting agent, a thin metal electrode, and a lens held in intimate contact by a mechanical clamp. No epoxy or glue is used in the assembly of this device.

  17. Bonded polyimide fuel cell package

    SciTech Connect

    Morse, Jeffrey D.; Jankowski, Alan; Graff, Robert T.; Bettencourt, Kerry

    2010-06-08

    Described herein are processes for fabricating microfluidic fuel cell systems with embedded components in which micron-scale features are formed by bonding layers of DuPont Kapton.TM. polyimide laminate. A microfluidic fuel cell system fabricated using this process is also described.

  18. Capillary flow weld-bonding

    NASA Technical Reports Server (NTRS)

    Vaughan, R. W.; Jones, R. J. (inventors)

    1976-01-01

    The invention of a weld-bonding technique for titanium plates was described. This involves fastening at least two plates of titanium together using spot-welding and applying a bead of adhesive along the edge of the resistance spot-welded joint which upon heating, flows and fills the separation between the joint components.

  19. Electronegativity and the Bond Triangle

    ERIC Educational Resources Information Center

    Meek, Terry L.; Garner, Leah D.

    2005-01-01

    The usefulness of the bond triangle for categorizing compounds of the main-group elements may be extended by the use of weighted average electronegativities to allow distinction between compounds of the same elements with different stoichiometries. In such cases a higher valency for the central atom leads to greater covalent character and the…

  20. Visualizing Bent Bonds in Cyclopropane

    ERIC Educational Resources Information Center

    Bertolini, Thomas M.

    2004-01-01

    A two-minute overhead demonstration using a molecular model kit is employed for illustrating the unique binding of cyclopropane. It is reported that most model kits, much like an sp (super 3) hybridized carbon atom, resist forming 60-degree bond angles.