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.
Geometric optimization of thermal systems
NASA Astrophysics Data System (ADS)
Alebrahim, Asad Mansour
2000-10-01
The work in chapter 1 extends to three dimensions and to convective heat transfer the constructal method of minimizing the thermal resistance between a volume and one point. In the first part, the heat flow mechanism is conduction, and the heat generating volume is occupied by low conductivity material (k 0) and high conductivity inserts (kp) that are shaped as constant-thickness disks mounted on a common stem of kp material. In the second part the interstitial spaces once occupied by k0 material are bathed by forced convection. The internal and external geometric aspect ratios of the elemental volume and the first assembly are optimized numerically subject to volume constraints. Chapter 2 presents the constrained thermodynamic optimization of a cross-flow heat exchanger with ram air on the cold side, which is used in the environmental control systems of aircraft. Optimized geometric features such as the ratio of channel spacings and flow lengths are reported. It is found that the optimized features are relatively insensitive to changes in other physical parameters of the installation and relatively insensitive to the additional irreversibility due to discharging the ram-air stream into the atmosphere, emphasizing the robustness of the thermodynamic optimum. In chapter 3 the problem of maximizing exergy extraction from a hot stream by distributing streams over a heat transfer surface is studied. In the first part, the cold stream is compressed in an isothermal compressor, expanded in an adiabatic turbine, and discharged into the ambient. In the second part, the cold stream is compressed in an adiabatic compressor. Both designs are optimized with respect to the capacity-rate imbalance of the counter-flow and the pressure ratio maintained by the compressor. This study shows the tradeoff between simplicity and increased performance, and outlines the path for further conceptual work on the extraction of exergy from a hot stream that is being cooled gradually. The aim
Optimizing the geometrical accuracy of curvilinear meshes
NASA Astrophysics Data System (ADS)
Toulorge, Thomas; Lambrechts, Jonathan; Remacle, Jean-François
2016-04-01
This paper presents a method to generate valid high order meshes with optimized geometrical accuracy. The high order meshing procedure starts with a linear mesh, that is subsequently curved without taking care of the validity of the high order elements. An optimization procedure is then used to both untangle invalid elements and optimize the geometrical accuracy of the mesh. Standard measures of the distance between curves are considered to evaluate the geometrical accuracy in planar two-dimensional meshes, but they prove computationally too costly for optimization purposes. A fast estimate of the geometrical accuracy, based on Taylor expansions of the curves, is introduced. An unconstrained optimization procedure based on this estimate is shown to yield significant improvements in the geometrical accuracy of high order meshes, as measured by the standard Hausdorff distance between the geometrical model and the mesh. Several examples illustrate the beneficial impact of this method on CFD solutions, with a particular role of the enhanced mesh boundary smoothness.
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.
Geometrically nonlinear analysis of adhesively bonded joints
NASA Technical Reports Server (NTRS)
Dattaguru, B.; Everett, R. A., Jr.; Whitcomb, J. D.; Johnson, W. S.
1982-01-01
A geometrically nonlinear finite element analysis of cohesive failure in typical joints is presented. Cracked-lap-shear joints were chosen for analysis. Results obtained from linear and nonlinear analysis show that nonlinear effects, due to large rotations, significantly affect the calculated mode 1, crack opening, and mode 2, inplane shear, strain-energy-release rates. The ratio of the mode 1 to mode 2 strain-energy-relase rates (G1/G2) was found to be strongly affected by he adhesive modulus and the adherend thickness. The ratios between 0.2 and 0.8 can be obtained by varying adherend thickness and using either a single or double cracked-lap-shear specimen configuration. Debond growth rate data, together with the analysis, indicate that mode 1 strain-energy-release rate governs debond growth. Results from the present analysis agree well with experimentally measured joint opening displacements.
Interplay between Peptide Bond Geometrical Parameters in Nonglobular Structural Contexts
Esposito, Luciana; De Simone, Alfonso; Vitagliano, Luigi
2013-01-01
Several investigations performed in the last two decades have unveiled that geometrical parameters of protein backbone show a remarkable variability. Although these studies have provided interesting insights into one of the basic aspects of protein structure, they have been conducted on globular and water-soluble proteins. We report here a detailed analysis of backbone geometrical parameters in nonglobular proteins/peptides. We considered membrane proteins and two distinct fibrous systems (amyloid-forming and collagen-like peptides). Present data show that in these systems the local conformation plays a major role in dictating the amplitude of the bond angle N-Cα-C and the propensity of the peptide bond to adopt planar/nonplanar states. Since the trends detected here are in line with the concept of the mutual influence of local geometry and conformation previously established for globular and water-soluble proteins, our analysis demonstrates that the interplay of backbone geometrical parameters is an intrinsic and general property of protein/peptide structures that is preserved also in nonglobular contexts. For amyloid-forming peptides significant distortions of the N-Cα-C bond angle, indicative of sterical hidden strain, may occur in correspondence with side chain interdigitation. The correlation between the dihedral angles Δω/ψ in collagen-like models may have interesting implications for triple helix stability. PMID:24455689
A geometric representation scheme suitable for shape optimization
NASA Technical Reports Server (NTRS)
Tortorelli, Daniel A.
1990-01-01
A geometric representation scheme is outlined which utilizes the natural design variable concept. A base configuration with distinct topological features is created. This configuration is then deformed to define components with similar topology but different geometry. The values of the deforming loads are the geometric entities used in the shape representation. The representation can be used for all geometric design studies; it is demonstrated here for structural optimization. This technique can be used in parametric design studies, where the system response is defined as functions of geometric entities. It can also be used in shape optimization, where the geometric entities of an original design are modified to maximize performance and satisfy constraints. Two example problems are provided. A cantilever beam is elongated to meet new design specifications and then optimized to reduce volume and satisfy stress constraints. A similar optimization problem is presented for an automobile crankshaft section. The finite element method is used to perform the analyses.
Adatom bond-induced geometric and electronic properties of passivated armchair graphene nanoribbons.
Lin, Yu-Tsung; Chung, Hsien-Ching; Yang, Po-Hua; Lin, Shih-Yang; Lin, Ming-Fa
2015-07-01
The geometric and electronic properties of passivated armchair graphene nanoribbons, enriched by strong chemical bonding between edge-carbons and various adatoms, are investigated by first-principle calculations. Adatom arrangements, bond lengths, charge distributions, and energy dispersions are dramatically changed by edge passivation. Elements with an atomic number of less than 20 are classified into three types depending on the optimal geometric structures: planar and non-planar structures, the latter of which are associated with specific arrangements and stacked configurations of adatoms. Especially, the nitrogen passivated nanoribbon is the most stable one with a heptagon-pentagon structure at the edges. The low-lying band structures are drastically varied, exhibiting non-monotonous energy dispersions and adatom-dominated bands. A relationship between energy gaps and ribbon widths no longer exists, and some adatoms further induce a semiconductor-metal transition. All the main characteristics are directly reflected in the density of states, revealing dip structures, plateaus, symmetric peaks, and square-root divergent asymmetric peaks. PMID:26051862
Optimized geometric configuration of active ring laser gyroscopes
NASA Astrophysics Data System (ADS)
Gormley, John; Salloum, Tony
2016-05-01
We present a thorough derivation of the Sagnac effect for a ring laser gyroscope of any arbitrary polygonal configuration. We determine optimized alternative geometric configurations for the mirrors. The simulations incur the implementation of a lasing medium with the standard square system, triangular, pentagonal, and oblongated square configuration (diamond). Simulations of possible new geometric configurations are considered, as well as the possibility of adjusting the concavity of the mirrors.
Optimizing ultrasonic imaging for adhesively bonded plates
Conboy, Mike; Hart, Scot; Harris-Weiel, David; Meyer, R. L.; Claytor, T. N.
2004-01-01
Bonded materials are used in many critical applications, making it important to determine the state of the adhesive during service or aging. It is also of importance, in many cases, to determine if the adhesive has uniformly and completely covered the area to be joined. Through dual transducer scanning, focused and unfocused transducers, and immersion scanning, the uniformity and adherence of a visco-elastic material can be evaluated. In this report, ultrasonic scanning parameters will be optimized experimentally with guidance from simulation tools including Wave 2000 pro and Imagine 3D. We explored optimizing the contrast ratio by varying the interrogation frequency and also by adjusting the distance between the transducer and bond line. An improvement in contrast should also increase the ability to detect differences in compositions and viscosity of the bonded layer. By maximizing the contrast the quality of the visco-elastic bond can be determined, and imperfections detected before adhesive failure.
Optimal control of underactuated mechanical systems: A geometric approach
NASA Astrophysics Data System (ADS)
Colombo, Leonardo; Martín De Diego, David; Zuccalli, Marcela
2010-08-01
In this paper, we consider a geometric formalism for optimal control of underactuated mechanical systems. Our techniques are an adaptation of the classical Skinner and Rusk approach for the case of Lagrangian dynamics with higher-order constraints. We study a regular case where it is possible to establish a symplectic framework and, as a consequence, to obtain a unique vector field determining the dynamics of the optimal control problem. These developments will allow us to develop a new class of geometric integrators based on discrete variational calculus.
Optimal source codes for geometrically distributed integer alphabets
NASA Technical Reports Server (NTRS)
Gallager, R. G.; Van Voorhis, D. C.
1975-01-01
An approach is shown for using the Huffman algorithm indirectly to prove the optimality of a code for an infinite alphabet if an estimate concerning the nature of the code can be made. Attention is given to nonnegative integers with a geometric probability assignment. The particular distribution considered arises in run-length coding and in encoding protocol information in data networks. Questions of redundancy of the optimal code are also investigated.
Optimized probabilistic quantum processors: A unified geometric approach 1
NASA Astrophysics Data System (ADS)
Bergou, Janos; Bagan, Emilio; Feldman, Edgar
Using probabilistic and deterministic quantum cloning, and quantum state separation as illustrative examples we develop a complete geometric solution for finding their optimal success probabilities. The method is related to the approach that we introduced earlier for the unambiguous discrimination of more than two states. In some cases the method delivers analytical results, in others it leads to intuitive and straightforward numerical solutions. We also present implementations of the schemes based on linear optics employing few-photon interferometry
Geometric Mechanics Reveals Optimal Complex Terrestrial Undulation Patterns
NASA Astrophysics Data System (ADS)
Gong, Chaohui; Astley, Henry; Schiebel, Perrin; Dai, Jin; Travers, Matthew; Goldman, Daniel; Choset, Howie; CMU Team; GT Team
Geometric mechanics offers useful tools for intuitively analyzing biological and robotic locomotion. However, utility of these tools were previously restricted to systems that have only two internal degrees of freedom and in uniform media. We show kinematics of complex locomotors that make intermittent contacts with substrates can be approximated as a linear combination of two shape bases, and can be represented using two variables. Therefore, the tools of geometric mechanics can be used to analyze motions of locomotors with many degrees of freedom. To demonstrate the proposed technique, we present studies on two different types of snake gaits which utilize combinations of waves in the horizontal and vertical planes: sidewinding (in the sidewinder rattlesnake C. cerastes) and lateral undulation (in the desert specialist snake C. occipitalis). C. cerastes moves by generating posteriorly traveling body waves in the horizontal and vertical directions, with a relative phase offset equal to +/-π/2 while C. occipitalismaintains a π/2 offset of a frequency doubled vertical wave. Geometric analysis reveals these coordination patterns enable optimal movement in the two different styles of undulatory terrestrial locomotion. More broadly, these examples demonstrate the utility of geometric mechanics in analyzing realistic biological and robotic locomotion.
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...
A geometric analysis of mastectomy incisions: Optimizing intraoperative breast volume
Chopp, David; Rawlani, Vinay; Ellis, Marco; Johnson, Sarah A; Buck, Donald W; Khan, Seema; Bethke, Kevin; Hansen, Nora; Kim, John YS
2011-01-01
INTRODUCTION: The advent of acellular dermis-based tissue expander breast reconstruction has placed an increased emphasis on optimizing intraoperative volume. Because skin preservation is a critical determinant of intraoperative volume expansion, a mathematical model was developed to capture the influence of incision dimension on subsequent tissue expander volumes. METHODS: A mathematical equation was developed to calculate breast volume via integration of a geometrically modelled breast cross-section. The equation calculates volume changes associated with excised skin during the mastectomy incision by reducing the arc length of the cross-section. The degree of volume loss is subsequently calculated based on excision dimensions ranging from 35 mm to 60 mm. RESULTS: A quadratic relationship between breast volume and the vertical dimension of the mastectomy incision exists, such that incrementally larger incisions lead to a disproportionally greater amount of volume loss. The vertical dimension of the mastectomy incision – more so than the horizontal dimension – is of critical importance to maintain breast volume. Moreover, the predicted volume loss is more profound in smaller breasts and primarily occurs in areas that affect breast projection on ptosis. CONCLUSIONS: The present study is the first to model the relationship between the vertical dimensions of the mastectomy incision and subsequent volume loss. These geometric principles will aid in optimizing intra-operative volume expansion during expander-based breast reconstruction. PMID:22654531
Geometric factors affecting dentin bonding in root canals: a theoretical modeling approach.
Tay, Franklin R; Loushine, Robert J; Lambrechts, Paul; Weller, R Norman; Pashley, David H
2005-08-01
Cavity configuration factor (C-factor) is the ratio of the bonded surface area in a cavity to the unbonded surface area. In a box-like class I cavity, there may be five times more bonded surface area than the unbonded surface area. During polymerization, the volume of monomers is reduced, which creates sufficient shrinkage stresses to debond the material from dentin, thereby decreasing retention and increasing leakage. The important variables influencing bonding adhesive root-filling materials to canals was examined using a truncated inverted cone model. C-factors in bonded root canals exhibit a negative correlation with sealer thickness. For a 20 mm-long canal prepared with a size 25 file, calculated C-factors ranged from 46 to 23,461 with decreasing sealer thickness (500-1 microm), compared to a C-factor of 32 when the canal was filled only with sealer. As the thickness of the adhesive is reduced, the volummetric shrinkage is reduced, which results in a reduction in shrinkage stress (S-factor). C-factors above 954 calculated with sealer thickness smaller than 25 microm are partially compensated by increases in bonding area and decreases in shrinkage volume. However, the interaction of these two geometrically related factors (C- and S-factors) predicts that bonding of adhesive root-filling materials to root canals is highly unfavorable when compared with indirect intracoronal restorations with a similar resin film thickness. PMID:16044041
State-Selective Excitation of Quantum Systems via Geometrical Optimization.
Chang, Bo Y; Shin, Seokmin; Sola, Ignacio R
2015-09-01
We lay out the foundations of a general method of quantum control via geometrical optimization. We apply the method to state-selective population transfer using ultrashort transform-limited pulses between manifolds of levels that may represent, e.g., state-selective transitions in molecules. Assuming that certain states can be prepared, we develop three implementations: (i) preoptimization, which implies engineering the initial state within the ground manifold or electronic state before the pulse is applied; (ii) postoptimization, which implies engineering the final state within the excited manifold or target electronic state, after the pulse; and (iii) double-time optimization, which uses both types of time-ordered manipulations. We apply the schemes to two important dynamical problems: To prepare arbitrary vibrational superposition states on the target electronic state and to select weakly coupled vibrational states. Whereas full population inversion between the electronic states only requires control at initial time in all of the ground vibrational levels, only very specific superposition states can be prepared with high fidelity by either pre- or postoptimization mechanisms. Full state-selective population inversion requires manipulating the vibrational coherences in the ground electronic state before the optical pulse is applied and in the excited electronic state afterward, but not during all times. PMID:26575896
A geometric method for optimal design of color filter arrays.
Hao, Pengwei; Li, Yan; Lin, Zhouchen; Dubois, Eric
2011-03-01
A color filter array (CFA) used in a digital camera is a mosaic of spectrally selective filters, which allows only one color component to be sensed at each pixel. The missing two components of each pixel have to be estimated by methods known as demosaicking. The demosaicking algorithm and the CFA design are crucial for the quality of the output images. In this paper, we present a CFA design methodology in the frequency domain. The frequency structure, which is shown to be just the symbolic DFT of the CFA pattern (one period of the CFA), is introduced to represent images sampled with any rectangular CFAs in the frequency domain. Based on the frequency structure, the CFA design involves the solution of a constrained optimization problem that aims at minimizing the demosaicking error. To decrease the number of parameters and speed up the parameter searching, the optimization problem is reformulated as the selection of geometric points on the boundary of a convex polygon or the surface of a convex polyhedron. Using our methodology, several new CFA patterns are found, which outperform the currently commercialized and published ones. Experiments demonstrate the effectiveness of our CFA design methodology and the superiority of our new CFA patterns. PMID:20858581
Printability Optimization For Fine Pitch Solder Bonding
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.
Bond strength optimization between adherends with different curvatures
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.
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.
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.
Geometrical optimization of a local ballistic magnetic sensor
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.
Geometric optimization of a neutron detector based on a lithium glass-polymer composite
NASA Astrophysics Data System (ADS)
Mayer, M.; Nattress, J.; Trivelpiece, C.; Jovanovic, I.
2015-06-01
We report on the simulation and optimization of a neutron detector based on a glass-polymer composite that achieves high gamma rejection. Lithium glass is embedded in polyvinyltoluene in three geometric forms: disks, rods, and spheres. Optimal shape, geometric configuration, and size of the lithium glass fragments are determined using Geant4 simulations. All geometrical configurations maintain an approximate 7% glass to polymer mass ratio. Results indicate a 125-mm diameter as the optimal detector size for initial prototype design achieving a 10% efficiency for the thermalization of incident fission neutrons from 252Cf. The geometrical features of a composite detector are shown to have little effect on the intrinsic neutron efficiency, but a significant effect on the gamma rejection is observed. The sphere geometry showed the best overall performance with an intrinsic neutron efficiency of approximately 6% with a gamma rejection better than 10-7 for 280-μm diameter spheres. These promising results provide a motivation for prototype composite detector development based on the simulated designs.
Effects of geometric nonlinearities on the response of optimized box beam structures
NASA Technical Reports Server (NTRS)
Ragon, S.; Gurdal, Z.
1993-01-01
The present minimum-mass designs for a two-spar rectangular box beam were derived on the basis of linear-buckling FEM analysis constraints. In order to ascertain the effects of any geometric nonlinearities on these designs, each was subjected to a geometrically nonlinear FEM analysis. In all cases, the structure collapses below the design load, and does so in a mode which differs from that of linear theory. This discrepancy is attributable to such nonlinear panel-interaction mechanisms as rib-crusing loads. The optimized design is highly sensitive to crushing loads, relative to the nonoptimal design.
NASA Astrophysics Data System (ADS)
Nguyen, Q. H.; Choi, S. B.
2010-11-01
This paper presents an optimal design of a magnetorheological (MR) brake for a middle-sized passenger car which can replace a conventional hydraulic disc-type brake. In the optimization, the required braking torque, the temperature due to zero-field friction of MR fluid, the mass of the brake system and all significant geometric dimensions are considered. After describing the configuration, the braking torque of the proposed MR brake is derived on the basis of the field-dependent Bingham and Herschel-Bulkley rheological model of the MR fluid. The optimal design of the MR brake is then analyzed taking into account available space, mass, braking torque and steady heat generated by zero-field friction torque of the MR brake. The optimization procedure based on the finite element analysis integrated with an optimization tool is proposed to obtain optimal geometric dimensions of the MR brake. Based on the proposed procedure, optimal solutions of single and multiple disc-type MR brakes featuring different types of MR fluid are achieved. From the results, the most effective MR brake for the middle-sized passenger car is identified and some discussions on the performance improvement of the optimized MR brake are described.
Geometric versus numerical optimal control of a dissipative spin-(1/2) particle
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.
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.
Optimization of the Geometric Phase Sensitivity of an Array of Atom Ring Interferometers
NASA Astrophysics Data System (ADS)
Sandoval-Sanchez, Karina; Campo, Christian; Rivera, Tabitha; Toland, John
2015-05-01
Sagnac, and Aharonov-Bohm phase shifts are important geometric phase shifts in atom interferometry. These phase shifts characterize rotational and magnetic field interference effects respectively. Theoretical explorations have shown that a series of ring interferometers can be connected in series to increase the sensitivity of the overall device while keeping the maximum path separation less than the coherence length of the atoms. It has also been shown that the application of an area chirp to the rings will further enhance the sensitivity of the array of rings to geometric phase shifts. Area chirp refers to characterizing all of the rings in the array to a fixed percentage of a reference ring, this allows for the phase shifts in each ring to be characterized by one ring. The goal of this project is to determine a set of parameters namely kL, the product of the ring circumference and the wave number and γ, the chirp factor for the area chirp, that optimize the geometric phase sensitivity for an array of N rings. We model the transmission coefficient of a quantum matter wave through an area chirped array of interferometers as a function of phase, using transfer matrices to represent the transmission and reflection of individual rings in the array. Isolated transmission resonances represent the domain of interest, these are regions of high phase sensitivity. After optimizing a ring array without loss we apply velocity broadening to the input matter waves to investigate a more realistic output.
McShan, D.L.; Kessler, M.L.; Vineberg, K.; Fraass, B.A.
2006-05-15
Radiotherapy treatment plans that are optimized to be highly conformal based on a static patient geometry can be degraded by setup errors and/or intratreatment motion, particularly for IMRT plans. To achieve improved plans in the face of geometrical uncertainties, direct simulation of multiple instances of the patient anatomy (to account for setup and/or motion uncertainties) is used within the inverse planning process. This multiple instance geometry approximation (MIGA) method uses two or more instances of the patient anatomy and optimizes a single beam arrangement for all instances concurrently. Each anatomical instance can represent expected extremes or a weighted distribution of geometries. The current implementation supports mapping between instances that include distortions, but this report is limited to the use of rigid body translations/rotations. For inverse planning, the method uses beamlet dose calculations for each instance, with the resulting doses combined using a weighted sum of the results for the multiple instances. Beamlet intensities are then optimized using the inverse planning system based on the cost for the composite dose distribution. MIGA can simulate various types of geometrical uncertainties, including random setup error and intratreatment motion. A limited number of instances are necessary to simulate Gaussian-distributed errors. IMRT plans optimized using MIGA show significantly less degradation in the face of geometrical errors, and are robust to the expected (simulated) motions. Results for a complex head/neck plan involving multiple target volumes and numerous normal structures are significantly improved when the MIGA method of inverse planning is used. Inverse planning using MIGA can lead to significant improvements over the use of simple PTV volume expansions for inclusion of geometrical uncertainties into inverse planning, since it can account for the correlated motions of the entire anatomical representation. The optimized plan
Automated reconstruction of dendritic and axonal trees by global optimization with geometric priors.
Türetken, Engin; González, Germán; Blum, Christian; Fua, Pascal
2011-09-01
We present a novel probabilistic approach to fully automated delineation of tree structures in noisy 2D images and 3D image stacks. Unlike earlier methods that rely mostly on local evidence, ours builds a set of candidate trees over many different subsets of points likely to belong to the optimal tree and then chooses the best one according to a global objective function that combines image evidence with geometric priors. Since the best tree does not necessarily span all the points, the algorithm is able to eliminate false detections while retaining the correct tree topology. Manually annotated brightfield micrographs, retinal scans and the DIADEM challenge datasets are used to evaluate the performance of our method. We used the DIADEM metric to quantitatively evaluate the topological accuracy of the reconstructions and showed that the use of the geometric regularization yields a substantial improvement. PMID:21573886
Implementation and Optimization of miniGMG - a Compact Geometric Multigrid Benchmark
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.
NASA Astrophysics Data System (ADS)
Mignani, A. G.; Ciaccheri, L.; Mencaglia, A. A.; Giannelli, L.
2011-05-01
An experimental study was carried out, aimed at optimizing the optical/geometrical configuration for measuring the concentration of biological cells by means of static light scattering measurements. A LED-based optoelectronic setup making use of optical fibers was experimented, as the precursor of a low-cost device to be integrated in instrumentation for cytometry. Two biological sample types were considered as test samples of the most popular analyses - cervical cells and urine, respectively. The most suitable wavelengths and detecting angles were identified, and calibration curves were calculated.
NASA Astrophysics Data System (ADS)
Mignani, A. G.; Ciaccheri, L.; Giannelli, L.; Mencaglia, A. A.
2012-03-01
An experimental study was carried out, aimed at optimizing the optical/geometrical configuration for measuring the concentration of biological cells by means of static light scattering measurements. A LED-based optoelectronic setup making use of optical fibers was experimented, as the precursor of a low-cost device to be integrated in instrumentation for cytometry. Two biological sample types were considered as test samples of the most popular analyses - cervical cells and urine, respectively. The most suitable wavelengths and detecting angles were identified, and calibration curves were calculated.
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.
Parametric geometric model and shape optimization of an underwater glider with blended-wing-body
NASA Astrophysics Data System (ADS)
Sun, Chunya; Song, Baowei; Wang, Peng
2015-11-01
Underwater glider, as a new kind of autonomous underwater vehicles, has many merits such as long-range, extended-duration and low costs. The shape of underwater glider is an important factor in determining the hydrodynamic efficiency. In this paper, a high lift to drag ratio configuration, the Blended-Wing-Body (BWB), is used to design a small civilian under water glider. In the parametric geometric model of the BWB underwater glider, the planform is defined with Bezier curve and linear line, and the section is defined with symmetrical airfoil NACA 0012. Computational investigations are carried out to study the hydrodynamic performance of the glider using the commercial Computational Fluid Dynamics (CFD) code Fluent. The Kriging-based genetic algorithm, called Efficient Global Optimization (EGO), is applied to hydrodynamic design optimization. The result demonstrates that the BWB underwater glider has excellent hydrodynamic performance, and the lift to drag ratio of initial design is increased by 7% in the EGO process.
An optimal hydrogen-bond surrogate for α-helices.
Joy, Stephen T; Arora, Paramjit S
2016-04-14
Substitution of a main chain i → i + 4 hydrogen bond with a covalent bond can nucleate and stabilize the α-helical conformation in peptides. Herein we describe the potential of different alkene isosteres to mimic intramolecular hydrogen bonds and stabilize α-helices in diverse peptide sequences. PMID:27046675
Geometric Integrators for Higher-Order Variational Systems and Their Application to Optimal Control
NASA Astrophysics Data System (ADS)
Colombo, Leonardo; Ferraro, Sebastián; Martín de Diego, David
2016-07-01
Numerical methods that preserve geometric invariants of the system, such as energy, momentum or the symplectic form, are called geometric integrators. In this paper we present a method to construct symplectic-momentum integrators for higher-order Lagrangian systems. Given a regular higher-order Lagrangian L:T^{(k)}Q→ R with k≥ 1 , the resulting discrete equations define a generally implicit numerical integrator algorithm on T^{(k-1)}Q× T^{(k-1)}Q that approximates the flow of the higher-order Euler-Lagrange equations for L. The algorithm equations are called higher-order discrete Euler-Lagrange equations and constitute a variational integrator for higher-order mechanical systems. The general idea for those variational integrators is to directly discretize Hamilton's principle rather than the equations of motion in a way that preserves the invariants of the original system, notably the symplectic form and, via a discrete version of Noether's theorem, the momentum map. We construct an exact discrete Lagrangian L_d^e using the locally unique solution of the higher-order Euler-Lagrange equations for L with boundary conditions. By taking the discrete Lagrangian as an approximation of L_d^e , we obtain variational integrators for higher-order mechanical systems. We apply our techniques to optimal control problems since, given a cost function, the optimal control problem is understood as a second-order variational problem.
Geometric-attributes-based segmentation of cortical bone slides using optimized neural networks.
Hage, Ilige S; Hamade, Ramsey F
2016-05-01
In cortical bone, solid (lamellar and interstitial) matrix occupies space left over by porous microfeatures such as Haversian canals, lacunae, and canaliculi-containing clusters. In this work, pulse-coupled neural networks (PCNN) were used to automatically distinguish the microfeatures present in histology slides of cortical bone. The networks' parameters were optimized using particle swarm optimization (PSO). When forming the fitness functions for the PSO, we considered the microfeatures' geometric attributes-namely, their size (based on measures of elliptical perimeter or area), shape (based on measures of compactness or the ratio of minor axis length to major axis length), and a two-way combination of these two geometric attributes. This hybrid PCNN-PSO method was further enhanced for pulse evaluation by combination with yet another method, adaptive threshold (AT), where the PCNN algorithm is repeated until the best threshold is found corresponding to the maximum variance between two segmented regions. Together, this framework of using PCNN-PSO-AT constitutes, we believe, a novel framework in biomedical imaging. Using this framework and extracting microfeatures from only one training image, we successfully extracted microfeatures from other test images. The high fidelity of all resultant segments was established using quantitative metrics such as precision, specificity, and Dice indices. PMID:26104115
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.
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
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
Geometric optimization of helical tail designs to calibrate swimming velocities of microswimmers
NASA Astrophysics Data System (ADS)
Demir, Ebru; Yesilyurt, Serhat
2014-11-01
Artificial microswimmers present both a solution and a challenge as alternative tools to be used in medical applications, namely, drug delivery and minimally invasive surgeries. Achieving desired amount of controlled displacement of microswimmers at desired velocities plays an important role in determining the success of such applications. In this study, a non-dimensionalised CFD model is utilised to investigate the effects of various geometrical parameters on swimming velocities of microswimmers with helical tails in cylindrical confinements, such as helix wavelength, helical body thickness, and diameter. To this end, a ``one wavelength long'' helical tail is placed inside a cylindrical channel of the same length with periodic boundary conditions applied to both ends, constituting an infinite helix model. As the channel diameter is kept constant, a parametric study of abovementioned geometric identities is conducted to observe the change in the swimming velocities. Furthermore, effects of helix-channel eccentricity and helix rotation about the longitudinal axis on swimming velocity of a dimensionally optimized helix are investigated to reveal near wall effects. The results are found to be in good agreement with the theoretical models existing in the literature.
Riemannian geometric approach to human arm dynamics, movement optimization, and invariance
NASA Astrophysics Data System (ADS)
Biess, Armin; Flash, Tamar; Liebermann, Dario G.
2011-03-01
We present a generally covariant formulation of human arm dynamics and optimization principles in Riemannian configuration space. We extend the one-parameter family of mean-squared-derivative (MSD) cost functionals from Euclidean to Riemannian space, and we show that they are mathematically identical to the corresponding dynamic costs when formulated in a Riemannian space equipped with the kinetic energy metric. In particular, we derive the equivalence of the minimum-jerk and minimum-torque change models in this metric space. Solutions of the one-parameter family of MSD variational problems in Riemannian space are given by (reparametrized) geodesic paths, which correspond to movements with least muscular effort. Finally, movement invariants are derived from symmetries of the Riemannian manifold. We argue that the geometrical structure imposed on the arm’s configuration space may provide insights into the emerging properties of the movements generated by the motor system.
Whole cell tracking through the optimal control of geometric evolution laws
NASA Astrophysics Data System (ADS)
Blazakis, Konstantinos N.; Madzvamuse, Anotida; Reyes-Aldasoro, Constantino Carlos; Styles, Vanessa; Venkataraman, Chandrasekhar
2015-09-01
Cell tracking algorithms which automate and systematise the analysis of time lapse image data sets of cells are an indispensable tool in the modelling and understanding of cellular phenomena. In this study we present a theoretical framework and an algorithm for whole cell tracking. Within this work we consider that "tracking" is equivalent to a dynamic reconstruction of the whole cell data (morphologies) from static image data sets. The novelty of our work is that the tracking algorithm is driven by a model for the motion of the cell. This model may be regarded as a simplification of a recently developed physically meaningful model for cell motility. The resulting problem is the optimal control of a geometric evolution law and we discuss the formulation and numerical approximation of the optimal control problem. The overall goal of this work is to design a framework for cell tracking within which the recovered data reflects the physics of the forward model. A number of numerical simulations are presented that illustrate the applicability of our approach.
Geometrical Optimization Of Clinch Forming Process Using The Response Surface Method
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.
NASA Astrophysics Data System (ADS)
Newman, James Charles, III
1997-10-01
The first two steps in the development of an integrated multidisciplinary design optimization procedure capable of analyzing the nonlinear fluid flow about geometrically complex aeroelastic configurations have been accomplished in the present work. For the first step, a three-dimensional unstructured grid approach to aerodynamic shape sensitivity analysis and design optimization has been developed. The advantage of unstructured grids, when compared with a structured-grid approach, is their inherent ability to discretize irregularly shaped domains with greater efficiency and less effort. Hence, this approach is ideally suited for geometrically complex configurations of practical interest. In this work the time-dependent, nonlinear Euler equations are solved using an upwind, cell-centered, finite-volume scheme. The discrete, linearized systems which result from this scheme are solved iteratively by a preconditioned conjugate-gradient-like algorithm known as GMRES for the two-dimensional cases and a Gauss-Seidel algorithm for the three-dimensional; at steady-state, similar procedures are used to solve the accompanying linear aerodynamic sensitivity equations in incremental iterative form. As shown, this particular form of the sensitivity equation makes large-scale gradient-based aerodynamic optimization possible by taking advantage of memory efficient methods to construct exact Jacobian matrix-vector products. Various surface parameterization techniques have been employed in the current study to control the shape of the design surface. Once this surface has been deformed, the interior volume of the unstructured grid is adapted by considering the mesh as a system of interconnected tension springs. Grid sensitivities are obtained by differentiating the surface parameterization and the grid adaptation algorithms with ADIFOR, an advanced automatic-differentiation software tool. To demonstrate the ability of this procedure to analyze and design complex configurations of
NASA Astrophysics Data System (ADS)
Paul, Bijan Kumar; Guchhait, Nikhil
2013-02-01
Density functional theory based computational study has been performed to characterize intramolecular hydrogen bonding (IMHB) interaction in a series of salicylic acid derivatives varying in chlorine substitution on the benzene ring. The molecular systems studied are salicylic acid, 5-chlorosalicylic acid, 3,5-dichlorosalicylic acid and 3,5,6-tricholorosalicylic acid. Major emphasis is rendered on the analysis of IMHB interaction by calculation of electron density ρ(r) and Laplacian ∇2ρ(r) at the bond critical point using atoms-in-molecule theory. Topological features, energy densities based on ρ(r) through perturbing the intramolecular H-bond distances suggest that at equilibrium geometry the IMHB interaction develops certain characteristics typical of covalent interaction. The interplay between aromaticity and resonance-assisted hydrogen bonding (RAHB) is discussed using both geometrical and magnetic criteria as the descriptors of aromaticity. The optimized geometry features, molecular electrostatic potential map analysis are also found to produce a consensus view in relation with the formation of RAHB in these systems.
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.
Geometric optimization of self-healing power capacitor with consideration of multiple factors
NASA Astrophysics Data System (ADS)
Wang, Zijian; Yan, Fei; Hua, Zheng; Qi, Lingna; Hou, Zhijian; Xu, Zhiniu
2016-08-01
To decrease temperature rise in self-healing power capacitor and lay foundation for improvement of applied voltage and lifetime, the influence of elements orientation on the temperature distribution of self-healing capacitor is investigated using Fluent15.0 and validated by thermal stability test. Based on the above investigations, the influences of parameters of film, electrode and element on power loss and temperature rise of capacitor are systematically investigated. The results reveal that if geometry and volume of capacitor remain constant, orientation of spray coating has little influence on temperature rise. In view of manufacturing processes, the mode of spray coating close to the large surface should be selected. The power loss will decrease with increasing/decreasing in film thickness/width. Therefore, thicker film should be selected and its width should be less than 75 mm. Temperature rise decreases slowly with element diameter. However, the element diameter should be a moderate value because of the influence of it on the number of self-healing point. A capacitor group with rated voltage of 11/ √{ 3} kV and capacity of 334 kvar is designed and the scheme with the lowest temperature rise is selected. This study provides a reference to self-healing capacitor geometric optimization and lifetime improvement.
Optimization of laser-assisted glass frit bonding process by response surface methodology
NASA Astrophysics Data System (ADS)
Wang, Wen; Xiao, Yanyi; Wu, Xingyang; Zhang, Jianhua
2016-03-01
In this work, a systematic study on laser-assisted glass frit bonding process was carried out by response surface methodology (RSM). Laser power, sealing speed and spot diameter were considered as key bonding parameters. Combined with a central rotatable experimental design, RSM was employed to establish mathematical model to predict the relationship between the shear force after bonding and the bonding process parameters. The model was validated experimentally. Based on the model, the interaction effects of the process parameters on the shear force were analyzed and the optimum bonding parameters were achieved. The results indicate that the model can be used to illustrate the relationship between the shear force and the bonding parameters. The predicted results obtained under the optimized parameters by the models are consistent with the experimental results.
Geometric and electronic structure of mixed metal-semiconductor clusters from global optimization.-
NASA Astrophysics Data System (ADS)
Hagelberg, Frank; Wu, Jianhua
2006-03-01
In addition to pure metal and semiconductor clusters, hybrid species that contain both types of constituents occur at the metal-semiconductor interface. Thus, clusters of the form Cu(x)Si(y) were detected by mass spectrometry [1]. In this contribution, the geometric and energetic features of Me(m)Si(7-m) (Me=Cu and Li) clusters are discussed. The choice of these systems is motivated by the structural similarity of the pure Si(7), Li(7), and Cu(7) systems which all stabilize in D(5h) symmetry. On the other hand, Li and Cu, representing the alkali group (IA) and the noble metal group (IB) of the periodic system, are expected to display strongly differing behavior when integrated into a Si(n) cluster, resulting in different ground state geometries for the cases Me = Li and Me = Cu. Addressing this problem by means of geometry optimization requires, in view of the large number of possible atomic permutations for Me(m)Si(7-m) with 0 < m < 7, the use of a global search algorithm. Equilibrium geometries are obtained by simulated annealing within the Nose' thermostat frame. It is observed that Cu(m)Si(7-m) clusters with m < 6 tend towards ground state geometries derived from the D(5h) prototype. For Li(m)Si(7-m), the Li(m) subsystem is found to adsorb on the framework of the Si(7-m) dianion. [1] J.J. Scherer, J.B. Pau, C.P. Collier, A. O'Keefe, and R.J. Saykally, J. Chem. Phys. 103, 9187 (1995).
Optimization approach for the evaluation of geometric errors in computer-aided inspection
NASA Astrophysics Data System (ADS)
Jiang, Guohua
Geometric dimensioning and tolerancing (GD&T) is a set of standards that defines a clear and concise mathematical language for communicating product definition. A design based on GD&T clearly reflects the functional requirements of a product, provides unique definition of a drawing among design, manufacturing and inspection engineers and conveys the design intention clearly without any ambiguity. The latest version of this standard is ASME Y14.5M-1994. Traditional methods for the inspection of geometric tolerances have been mostly with the use of functional gages and Coordinate Measuring Machines (CMM). Function gages are very expensive and only provide a yes/no result. CMMs have embedded algorithms to verify geometric tolerances according to the design specification. However, it has been shown that these embedded algorithms neither provide accurate evaluation of geometric errors nor do they conform to the ASME standards. High accuracy requirements in the manufacture of precision parts with complex geometries have made accurate evaluation and verification of geometric tolerances very critical. Over the years, researchers have developed many algorithms to evaluate some of the geometric errors. However, there is still a significant lack of evaluation procedures for complex geometric errors. In this dissertation, mathematical models have been built for the evaluation of a certain set of complex geometric characteristics. The concentration has been on the evaluation of 3D feature relating positional error, cylindricity error and straightness error of spatial line. Research has been carried out to understand the mathematical natures of these problems. Based on the research results, efficient solution methodologies have been developed according to the ASME standards. A robust and efficient procedure has also been developed for the identification of candidate datum sets. The proposed procedures have been implemented using the C++ or C programming language. Experimental
An optimization-based method for geometrical calibration in cone-beam CT without dedicated phantoms
NASA Astrophysics Data System (ADS)
Panetta, D.; Belcari, N.; DelGuerra, A.; Moehrs, S.
2008-07-01
In this paper we present a new method for the determination of geometrical misalignments in cone-beam CT scanners, from the analysis of the projection data of a generic object. No a priori knowledge of the object shape and positioning is required. We show that a cost function, which depends on the misalignment parameters, can be defined using the projection data and that such a cost function has a local minimum in correspondence to the actual parameters of the system. Hence, the calibration of the scanner can be carried out by minimizing the cost function using standard optimization techniques. The method is developed for a particular class of 3D object functions, for which the redundancy of the fan beam sinogram in the transaxial midplane can be extended to cone-beam projection data, even at wide cone angles. The method has an approximated validity for objects which do not belong to that class; in that case, a suitable subset of the projection data can be selected in order to compute the cost function. We show by numerical simulations that our method is capable to determine with high accuracy the most critical misalignment parameters of the scanner, i.e., the transversal shift and the skew of the detector. Additionally, the detector slant can be determined. Other parameters such as the detector tilt, the longitudinal shift and the error in the source-detector distance cannot be determined with our method, as the proposed cost function has a very weak dependence on them. However, due to the negligible influence of these latter parameters in the reconstructed image quality, they can be kept fixed at estimated values in both calibration and reconstruction processes without compromising the final result. A trade-off between computational cost and calibration accuracy must be considered when choosing the data subset used for the computation of the cost function. Results on real data of a mouse femur as obtained with a small animal micro-CT are shown as well, proving
Optimized Cu-Sn Wafer-Level Bonding Using Intermetallic Phase Characterization
NASA Astrophysics Data System (ADS)
Luu, Thi-Thuy; Duan, Ani; Aasmundtveit, Knut E.; Hoivik, Nils
2013-12-01
The objective of this study is to optimize the Cu/Sn solid-liquid interdiffusion process for wafer-level bonding applications. To optimize the temperature profile of the bonding process, the formation of intermetallic compounds (IMCs) which takes place during the bonding process needs to be well understood and characterized. In this study, a simulation model for the development of IMCs and the unreacted remaining Sn thickness as a function of the bonding temperature profile was developed. With this accurate simulation model, we are able to predict the parameters which are critical for bonding process optimization. The initial characterization focuses on a kinetics model of the Cu3Sn thickness growth and the amount of Sn thickness that reacts with Cu to form IMCs. As-plated Cu/Sn samples were annealed using different temperatures (150°C to 300°C) and durations (0 min to 320 min). The kinetics model is then extracted from the measured thickness of IMCs of the annealed samples.
Radiation model for row crops: I. Geometric view factors and parameter optimization
Technology Transfer Automated Retrieval System (TEKTRAN)
Row crops with partial cover result in different radiation partitioning to the soil and canopy compared with full cover; however, methods to account for partial cover have not been adequately investigated. The objectives of this study were to: (i) develop geometric view factors to account for the sp...
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.
Vogt, Mark; van Gerwen, Dennis J; van den Dobbelsteen, John J; Hagenaars, Martin
2016-01-01
Performance of neuraxial blockade using a midline approach can be technically difficult. It is therefore important to optimize factors that are under the influence of the clinician performing the procedure. One of these factors might be the chosen point of insertion of the needle. Surprisingly few data exist on where between the tips of two adjacent spinous processes the needle should be introduced. A geometrical model was adopted to gain more insight into this issue. Spinous processes were represented by parallelograms. The length, the steepness relative to the skin, and the distance between the parallelograms were varied. The influence of the chosen point of insertion of the needle on the range of angles at which the epidural and subarachnoid space could be reached was studied. The optimal point of insertion was defined as the point where this range is the widest. The geometrical model clearly demonstrated, that the range of angles at which the epidural or subarachnoid space can be reached, is dependent on the point of insertion between the tips of the adjacent spinous processes. The steeper the spinous processes run, the more cranial the point of insertion should be. Assuming that the model is representative for patients, the performance of neuraxial blockade using a midline approach might be improved by choosing the optimal point of insertion. PMID:27570462
NASA Astrophysics Data System (ADS)
Hasbullah Mohd Isa, Wan; Fikri Muhammad, Khairul; Mohd Khairuddin, Ismail; Ishak, Ismayuzri; Razlan Yusoff, Ahmad
2016-02-01
This paper presents the new form of coils for electromagnetic energy harvesting system based on topology optimization method which look-liked a cap to maximize the power output. It could increase the number of magnetic flux linkage interception of a cylindrical permanent magnet which in this case is of 10mm diameter. Several coils with different geometrical properties have been build and tested on a vibration generator with frequency of 100Hz. The results showed that the coil with lowest number of winding transduced highest power output of 680μW while the highest number of windings generated highest voltage output of 0.16V.
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
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
NASA Astrophysics Data System (ADS)
Grason, Gregory M.
Melts of block copolymers provide an ideal route to engineering well-controlled structures on nanometer length scales. Through the control of only a few thermodynamic parameters, these systems can be tuned to self-assemble into periodic structures of an astounding variety. It is known that geometry plays a particularly important role in determining equilibrium structure since phase behavior of copolymer melts is generically insensitive to detail at the monomeric scale. Here, we explore a particular way in which the geometry of packing objects in three dimensions frustrates the internal configurations of segregated block copolymer domains. In particular, we find that lattices of spherical micelles are sensitive to the periodic structure of the lattice arrangement because these micelles are forced to occupy the non-ideal, polyhedral unit cells of the lattice. By analyzing the energetics of block copolymer melts in the limit of strongly-segregated domains, we find that the interfaces which separate unlike polymer domains tend to adopt the polyhedral shape of the lattice unit cell, and this tendency is entirely controlled by the specific copolymer architecture. Furthermore, in the limit where interfaces are perfectly polyhedral, a remarkable simplicity emerges, and the relative stability of competing lattice arrangements of micelles can be assessed purely in terms of geometric measures of the two-dimensional lattice unit cell. From this analysis we predict the stability of a novel cubic arrangement spherical micelles in block copolymer melts, the A15 lattice. To corroborate our geometric arguments we develop and implement a numerical self-consistent field theory for melts of highly asymmetric block copolymers. This field theory allows us to systematically and efficiently explore the equilibrium phase behavior of asymmetric copolymer melts as a function of molecular architecture. These numerical results bear out the predictions of our geometric analysis and confirm that
NASA Astrophysics Data System (ADS)
Osusky, Lana Maria
The increase in the availability and power of computational resources over the last fifteen years has contributed to the development of many different types of numerical optimization methods and created a large area of research focussed on numerical aerodynamic shape optimization and, more recently, high-fidelity multidisciplinary optimization. Numerical optimization provides dramatic savings when designing new aerodynamic configurations, as it allows the designer to focus more on the development of a well-posed design problem rather than on performing an exhaustive search of the design space via the traditional cut-and-try approach, which is expensive and time-consuming. It also reduces the dependence on the designer's experience and intuition, which can potentially lead to more optimal designs. Numerical optimization methods are particularly attractive when designing novel, unconventional aircraft for which the designer has no pre-existing studies or experiences from which to draw; these methods have the potential to discover new designs that might never have been arrived at without optimization. This work presents an extension of an efficient gradient-based numerical aerodynamic shape optimization algorithm to enable optimization in turbulent flow. The algorithm includes an integrated geometry parameterization and mesh movement scheme, an efficient parallel Newton-Krylov-Schur algorithm for solving the Reynolds-Averaged Navier-Stokes (RANS) equations, which are fully coupled with the one-equation Spalart-Allmaras turbulence model, and a discrete-adjoint gradient evaluation. In order to develop an efficient methodology for optimization in turbulent flows, the viscous and turbulent terms in the ii governing equations were linearized by hand. Additionally, a set of mesh refinement tools was introduced in order to obtain both an acceptable control volume mesh and a sufficiently refined computational mesh from an initial coarse mesh. A series of drag minimization
NASA Astrophysics Data System (ADS)
Chung, Kun-Jen
2012-08-01
Cardenas-Barron [Cardenas-Barron, L.E. (2010) 'A Simple Method to Compute Economic order Quantities: Some Observations', Applied Mathematical Modelling, 34, 1684-1688] indicates that there are several functions in which the arithmetic-geometric mean method (AGM) does not give the minimum. This article presents another situation to reveal that the AGM inequality to locate the optimal solution may be invalid for Teng, Chen, and Goyal [Teng, J.T., Chen, J., and Goyal S.K. (2009), 'A Comprehensive Note on: An Inventory Model under Two Levels of Trade Credit and Limited Storage Space Derived without Derivatives', Applied Mathematical Modelling, 33, 4388-4396], Teng and Goyal [Teng, J.T., and Goyal S.K. (2009), 'Comment on 'Optimal Inventory Replenishment Policy for the EPQ Model under Trade Credit Derived without Derivatives', International Journal of Systems Science, 40, 1095-1098] and Hsieh, Chang, Weng, and Dye [Hsieh, T.P., Chang, H.J., Weng, M.W., and Dye, C.Y. (2008), 'A Simple Approach to an Integrated Single-vendor Single-buyer Inventory System with Shortage', Production Planning and Control, 19, 601-604]. So, the main purpose of this article is to adopt the calculus approach not only to overcome shortcomings of the arithmetic-geometric mean method of Teng et al. (2009), Teng and Goyal (2009) and Hsieh et al. (2008), but also to develop the complete solution procedures for them.
Optimization of spin injection and spin detection in lateral nanostructures by geometrical means
NASA Astrophysics Data System (ADS)
Stejskal, Ondřej; Hamrle, Jaroslav; Pištora, Jaromír; Otani, Yoshichika
2016-09-01
Lateral spin devices are an important concept in nowadays all-metallic spintronic devices. One of the key problems is to obtain large spin injection and detection efficiency. Several concepts has been envisaged, such as to use half-metallic ferromagnetic electrodes or spin-polarized interface barriers. Within this work, we address the optimization of spin devices (namely optimization of spin current density, spin current and spin accumulation) based on adjustment of the geometry (dimensions) of the lateral device, material selection of spin conductors, jointly with optimization of the interface resistance.
Geometric optimization of a solar cubic-cavity multi-tubular reactor
NASA Astrophysics Data System (ADS)
Valades-Pelayo, P. J.; Arancibia-Bulnes, C. A.; Villafan-Vidales, H.; Romero-Paredes, H.
2016-05-01
A multi-tubular solar thermochemical cavity reactor is proposed and the tubular array optimized. The optimized reactor design aims at operating under different temperatures and carrying out different kinds of thermochemical reactions. The radiation entering the receptacle comes from a solar concentrating system and the reactor consists of a cubic receptacle made of woven graphite, housing nine 2.54 cm diameter tungsten tubes. A model is developed and implemented considering high-temperature radiative transfer at steady state. The temperature distribution within the cavity surfaces is determined by employing a hybrid Monte Carlo-Finite Volume approach. Optimal tube distributions are explored by using a custom-made stochastic, multi-parameter, optimization algorithm. In this way, multiple global maxima are determined. Patterns among all possible optimal tube distributions within the cavity are obtained for different scenarios, by maximizing average tube temperature. From this study, practical guidelines are obtained for future application in the design of solar cavity reactors and more specifically, on the layout of multi tubular arrays to optimize radiative heat transfer.
Rakhmilevitch, David; Sarkar, Soumyajit; Bitton, Ora; Kronik, Leeor; Tal, Oren
2016-03-01
Molecular junctions based on ferromagnetic electrodes allow the study of electronic spin transport near the limit of spintronics miniaturization. However, these junctions reveal moderate magnetoresistance that is sensitive to the orbital structure at their ferromagnet-molecule interfaces. The key structural parameters that should be controlled in order to gain high magnetoresistance have not been established, despite their importance for efficient manipulation of spin transport at the nanoscale. Here, we show that single-molecule junctions based on nickel electrodes and benzene molecules can yield a significant anisotropic magnetoresistance of up to ∼200% near the conductance quantum G0. The measured magnetoresistance is mechanically tuned by changing the distance between the electrodes, revealing a nonmonotonic response to junction elongation. These findings are ascribed with the aid of first-principles calculations to variations in the metal-molecule orientation that can be adjusted to obtain highly spin-selective orbital hybridization. Our results demonstrate the important role of geometrical considerations in determining the spin transport properties of metal-molecule interfaces. PMID:26926769
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
An inverse display color characterization model based on an optimized geometrical structure
NASA Astrophysics Data System (ADS)
Thomas, Jean-Baptiste; Colantoni, Philippe; Hardeberg, Jon Y.; Foucherot, Irène; Gouton, Pierre
2008-01-01
We have defined an inverse model for colorimetric characterization of additive displays. It is based on an optimized three-dimensional tetrahedral structure. In order to minimize the number of measurements, the structure is defined using a forward characterization model. Defining a regular grid in the device-dependent destination color space leads to heterogeneous interpolation errors in the device-independent source color space. The parameters of the function used to define the grid are optimized using a globalized Nelder-Mead simplex downhill algorithm. Several cost functions are tested on several devices. We have performed experiments with a forward model which assumes variation in chromaticities (PLVC), based on one-dimensional interpolations for each primary ramp along X, Y and Z (3×3×1-D). Results on 4 devices (2 LCD and a DLP projection devices, one LCD monitor) are shown and discussed.
Wu, Xiaodong; Dou, Xin; Wahle, Andreas; Sonka, Milan
2011-03-01
Efficient segmentation of globally optimal surfaces in volumetric images is a central problem in many medical image analysis applications. Intraclass variance has been successfully utilized for object segmentation, for instance, in the Chan-Vese model, especially for images without prominent edges. In this paper, we study the optimization problem of detecting a region (volume) between two coupled smooth surfaces by minimizing the intraclass variance using an efficient polynomial-time algorithm. Our algorithm is based on the shape probing technique in computational geometry and computes a sequence of minimum-cost closed sets in a derived parametric graph. The method has been validated on computer-synthetic volumetric images and in X-ray CT-scanned datasets of plexiglas tubes of known sizes. Its applicability to clinical data sets was also demonstrated. In all cases, the approach yielded highly accurate results. We believe that the developed technique is of interest on its own. We expect that it can shed some light on solving other important optimization problems arising in medical imaging. Furthermore, we report an approximation algorithm which runs much faster than the exact algorithm while yielding highly comparable segmentation accuracy. PMID:21118766
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…
An efficient algorithm for energy gradients and orbital optimization in valence bond theory.
Song, Lingchun; Song, Jinshuai; Mo, Yirong; Wu, Wei
2009-02-01
An efficient algorithm for energy gradients in valence bond theory with nonorthogonal orbitals is presented. A general Hartree-Fock-like expression for the Hamiltonian matrix element between valence bond (VB) determinants is derived by introducing a transition density matrix. Analytical expressions for the energy gradients with respect to the orbital coefficients are obtained explicitly, whose scaling for computational cost is m(4), where m is the number of basis functions, and is thus approximately the same as in HF method. Compared with other existing approaches, the present algorithm has lower scaling, and thus is much more efficient. Furthermore, the expression for the energy gradient with respect to the nuclear coordinates is also presented, and it provides an effective algorithm for the geometry optimization and the evaluation of various molecular properties in VB theory. Test applications show that our new algorithm runs faster than other methods. PMID:18629879
Geometrical optimization of an annulus Compton suppression system using Monte Carlo simulation.
Han, Jubong; Lee, K B; Park, T S; Lee, J M; Lee, S H
2013-11-01
We are planning to construct a Compton-suppression system permitting accurate and precise determinations of radioactivity of low-level environmental samples. An annulus guard detector (NaI) and a plug-in detector (NaI) are being used as suppression detectors with an HPGe primary detector. The geometry of the Compton suppression spectrometer was optimized by simulation with PENELOPE for obtaining the highest suppression factor (SF) for a point source. The results of the simulations show that the ultimate value of the suppression factor is 7.87 ± 0.18, obtained when the source is located at 57% of an annuls guard detector. PMID:23583087
Optimizing galvanic pulse plating parameters to improve indium bump to bump bonding
NASA Astrophysics Data System (ADS)
Coleman, Jonathan J.; Rowen, Adam; Mani, Seethambal S.; Yelton, W. Graham; Arrington, Christian; Gillen, Rusty; Hollowell, Andrew E.; Okerlund, Daniel; Ionescu, Adrian
2010-02-01
The plating characteristics of a commercially available indium plating solution are examined and optimized to help meet the increasing performance demands of integrated circuits requiring substantial numbers of electrical interconnections over large areas. Current fabrication techniques rely on evaporation of soft metals, such as indium, into lift-off resist profiles. This becomes increasingly difficult to accomplish as pitches decrease and aspect ratios increase. To minimize pixel dimensions and maximize the number of pixels per unit area, lithography and electrochemical deposition (ECD) of indium has been investigated. Pulse ECD offers the capability of improving large area uniformity ideal for large area device hybridization. Electrochemical experimentation into lithographically patterned molds allow for large areas of bumps to be fabricated for low temperature indium to indium bonds. The galvanic pulse profile, in conjunction with the bath configuration, determines the uniformity of the plated array. This pulse is manipulated to produce optimal properties for hybridizing arrays of aligned and bonded indium bumps. The physical properties of the indium bump arrays are examined using a white light interferometer, a SEM and tensile pull testing. This paper provides details from the electroplating processes as well as conclusions leading to optimized plating conditions.
Geometric modeling of space-optimal unit-cell-based tissue engineering scaffolds
NASA Astrophysics Data System (ADS)
Rajagopalan, Srinivasan; Lu, Lichun; Yaszemski, Michael J.; Robb, Richard A.
2005-04-01
Tissue engineering involves regenerating damaged or malfunctioning organs using cells, biomolecules, and synthetic or natural scaffolds. Based on their intended roles, scaffolds can be injected as space-fillers or be preformed and implanted to provide mechanical support. Preformed scaffolds are biomimetic "trellis-like" structures which, on implantation and integration, act as tissue/organ surrogates. Customized, computer controlled, and reproducible preformed scaffolds can be fabricated using Computer Aided Design (CAD) techniques and rapid prototyping devices. A curved, monolithic construct with minimal surface area constitutes an efficient substrate geometry that promotes cell attachment, migration and proliferation. However, current CAD approaches do not provide such a biomorphic construct. We address this critical issue by presenting one of the very first physical realizations of minimal surfaces towards the construction of efficient unit-cell based tissue engineering scaffolds. Mask programmability, and optimal packing density of triply periodic minimal surfaces are used to construct the optimal pore geometry. Budgeted polygonization, and progressive minimal surface refinement facilitate the machinability of these surfaces. The efficient stress distributions, as deduced from the Finite Element simulations, favor the use of these scaffolds for orthopedic applications.
Spatiotemporal and geometric optimization of sensor arrays for detecting analytes in fluids
Lewis, Nathan S.; Freund, Michael S.; Briglin, Shawn S.; Tokumaru, Phillip; Martin, Charles R.; Mitchell, David
2009-09-29
Sensor arrays and sensor array systems for detecting analytes in fluids. Sensors configured to generate a response upon introduction of a fluid containing one or more analytes can be located on one or more surfaces relative to one or more fluid channels in an array. Fluid channels can take the form of pores or holes in a substrate material. Fluid channels can be formed between one or more substrate plates. Sensor can be fabricated with substantially optimized sensor volumes to generate a response having a substantially maximized signal to noise ratio upon introduction of a fluid containing one or more target analytes. Methods of fabricating and using such sensor arrays and systems are also disclosed.
Spatiotemporal and geometric optimization of sensor arrays for detecting analytes fluids
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.
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.
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
Optimal tubular adhesive-bonded lap joint of the carbon fiber epoxy composite shaft
NASA Astrophysics Data System (ADS)
Kim, Ki S.; Kim, Won T.; Lee, Dai G.; Jun, Eui J.
The effects of the adhesive thickness and the adherend surface roughness on the fatigue strength of a tubular adhesive-bonded single lap joint were investigated using fatigue test specimens whose adherends were made of S45C carbon steel. Results of fatigue tests showed that the optimal arithmetic surface roughness of the adherends is about 2 microns and the optimal adhesive thickness is about 0.15 mm. Using these values, the prototype torsional adhesive joints were manufactured for power transmission shafts of an automotive vehicle or a small helicopter, and static tests under torque were performed on a single-lap joint, a single-lap joint with scarf, a double-lap joint, and a double-lap joint with scarf. It was found that the double-lap joint was superior among the joints, in terms of torque capacity and manufacturing cost.
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.
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.
Lu, Caijiang; Xu, Changbao; Wang, Lei; Gao, Jipu; Gui, Junguo; Lin, Chenghui
2014-11-01
This paper reports an optimized end-bonding magnetoelectric (ME) heterostructure FeCuNbSiB-PZT-FeCuNbSiB (FPF) for sensitive magnetic field sensor. The heterostructure is made by attaching magnetostrictive Fe73.5Cu1Nb3Si13.5B9 (FeCuNbSiB) foils at the free ends of piezoelectric Pb(Zr1-x,Tix)O3 (PZT) plates. Due to the structural advantages, the FPF has ∼3.12 times larger resonance voltage coefficient (αME,r) than traditional FeCuNbSiB/PZT laminate. And compared with the Metglas-PZT-Metglas heterostructure, the FPF heterostructure has stronger ME responses for the excellent magnetic characteristics of FeCuNbSiB. In experiments, the FPF heterostructure is optimal designed through adjusting the thickness of PZT plate (tp) and the length of FeCuNbSiB foil (L). The results demonstrate that the maximum αME,r of 662.1 (V/cm Oe) is observed at 13 Oe DC bias magnetic field when L = 15 mm and tp = 0.6 mm. Based on the giant ME coupling, the DC magnetic field sensitivity for the optimized FPF heterostructure is 3.89 nT at resonant frequency. These results are very promising for the cheap room-temperature magnetic field sensing technology. PMID:25430140
Pyzer-Knapp, Edward O; Thompson, Hugh P G; Day, Graeme M
2016-08-01
We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370
Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.
2016-01-01
We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370
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.
García-Sánchez, M A; Serratos, I N; Sosa, R; Tapia-Esquivel, T; González-García, F; Rojas-González, F; Tello-Solís, S R; Palacios-Enriquez, A Y; Esparza Schulz, J M; Arrieta, A
2016-01-01
Chlorophyll is a pyrrolic pigment with important optical properties, which is the reason it has been studied for many years. Recently, interest has been rising with respect to this molecule because of its outstanding physicochemical properties, particularly applicable to the design and development of luminescent materials, hybrid sensor systems, and photodynamic therapy devices for the treatment of cancer cells and bacteria. More recently, our research group has been finding evidence for the possibility of preserving these important properties of substrates containing chlorophyll covalently incorporated within solid pore matrices, such as SiO₂, TiO₂ or ZrO₂ synthesized through the sol-gel process. In this work, we study the optical properties of silica xerogels organo-modified on their surface with allyl and phenyl groups and containing different concentrations of chlorophyll bonded to the pore walls, in order to optimize the fluorescence that these macrocyclic species displays in solution. The intention of this investigation was to determine the maximum chlorophyll a concentration at which this molecule can be trapped inside the pores of a given xerogel and to ascertain if this pigment remains trapped as a monomer, a dimer, or aggregate. Allyl and phenyl groups were deposited on the surface of xerogels in view of their important effects on the stability of the molecule, as well as over the fluorescence emission of chlorophyll; however, these organic groups allow the trapping of either chlorophyll a monomers or dimers. The determination of the above parameters allows finding the most adequate systems for subsequent in vitro or in vivo studies. The characterization of the obtained xerogels was performed through spectroscopic absorption, emission and excitation spectra. These hybrid systems can be employed as mimics of natural systems; the entrapment of chlorophyll inside pore matrices indicates that it is possible to exploit some of the most physicochemical
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
Bayro-Corrochano, E J
2001-01-01
This paper shows the analysis and design of feedforward neural networks using the coordinate-free system of Clifford or geometric algebra. It is shown that real-, complex-, and quaternion-valued neural networks are simply particular cases of the geometric algebra multidimensional neural networks and that some of them can also be generated using support multivector machines (SMVMs). Particularly, the generation of radial basis function for neurocomputing in geometric algebra is easier using the SMVM, which allows one to find automatically the optimal parameters. The use of support vector machines in the geometric algebra framework expands its sphere of applicability for multidimensional learning. Interesting examples of nonlinear problems show the effect of the use of an adequate Clifford geometric algebra which alleviate the training of neural networks and that of SMVMs. PMID:18249926
Tjäderhane, Leo; Nascimento, Fabio D.; Breschi, Lorenzo; Mazzoni, Annalisa; Tersariol, Ivarne L.S.; Geraldeli, Saulo; Tezvergil-Mutluay, Arzu; Carrilho, Marcela R.; Carvalho, Ricardo M.; Tay, Franklin R.; Pashley, David H.
2012-01-01
Objectives Contemporary adhesives lose their bond strength to dentin regardless of the bonding system used. This loss relates to the hydrolysis of collagen matrix of the hybrid layers. The preservation of the collagen matrix integrity is a key issue in the attempts to improve the dentin bonding durability. Methods Dentin contains collagenolytic enzymes, matrix metalloproteinases (MMPs) and cysteine cathepsins, which are responsible for the hydrolytic degradation of collagen matrix in the bonded interface. Results The identities, roles and function of collagenolytic enzymes in mineralized dentin has been gathered only within last 15 years, but they have already been demonstrated to have an important role in dental hard tissue pathologies, including the degradation of the hybrid layer. Identifying responsible enzymes facilitates the development of new, more efficient methods to improve the stability of dentin-adhesive bond and durability of bond strength. Significance Understanding the nature and role of proteolytic degradation of dentin-adhesive interfaces has improved immensely and has practically grown to a scientific field of its own within only 10 years, holding excellent promise that stable resin-dentin bonds will be routinely available in a daily clinical setting already in a near future. PMID:22901826
Jungbauer, Stefan H; Huber, Stefan M
2015-09-23
In contrast to hydrogen bonding, which is firmly established in organocatalysis, there are still very few applications of halogen bonding in this field. Herein, we present the first catalytic application of cationic halogen-bond donors in a halide abstraction reaction. First, halopyridinium-, haloimidazolium-, and halo-1,2,3-triazolium-based catalysts were systematically tested. In contrast to the pyridinium compounds, both the imidazolium and the triazolium salts showed promising potency. For the haloimidazolium-based organocatalysts, we could show that the catalytic activity is based on halogen bonding using, e.g., the chlorinated derivatives as reference compounds. On the basis of these studies, halobenzimidazolium organocatalysts were then investigated. Monodentate compounds featured the same trends as the corresponding imidazolium analogues but showed a stronger catalytic activity. In order to prepare bidentate versions which are preorganized for anion binding, a new class of rigid bis(halobenzimidazolium) compounds was synthesized and structurally characterized. The corresponding syn isomer showed unprecedented catalytic potency and could be used in as low as 0.5 mol % in the benchmark reaction of 1-chloroisochroman with a silyl enol ether. Calculations confirmed that the syn isomer may bind in a bidentate fashion to chloride. The respective anti isomer is less active and binds halides in a monodentate fashion. Kinetic investigations confirmed that the syn isomer led to a 20-fold rate acceleration compared to a neutral tridentate halogen-bond donor. The strength of the preorganized halogen-bond donor seems to approach the limit under the reaction conditions, as decomposition is observed in the presence of chloride in the same solvent at higher temperatures. Calorimetric titrations of the syn isomer with bromide confirmed the strong halogen-bond donor strength of the former (K ≈ 4 × 10(6) M(-1), ΔG ≈ 38 kJ/mol). PMID:26329271
Luo, Wen; Feng, Yiyu; Qin, Chengqun; Li, Man; Li, Shipei; Cao, Chen; Long, Peng; Liu, Enzuo; Hu, Wenping; Yoshino, Katsumi; Feng, Wei
2015-10-21
An important method for establishing a high-energy, stable and recycled molecular solar heat system is by designing and preparing novel photo-isomerizable molecules with a high enthalpy and a long thermal life by controlling molecular interactions. A meta- and ortho-bis-substituted azobenzene chromophore (AZO) is covalently grafted onto reduced graphene oxide (RGO) for solar thermal storage materials. High grafting degree and close-packed molecules enable intermolecular hydrogen bonds (H-bonds) for both trans-(E) and cis-(Z) isomers of AZO on the surface of nanosheets, resulting in a dramatic increase in enthalpy and lifetime. The metastable Z-form of AZO on RGO is thermally stabilized with a half-life of 52 days by steric hindrance and intermolecular H-bonds calculated using density functional theory (DFT). The AZO-RGO fuel shows a high storage capacity of 138 Wh kg(-1) by optimizing intermolecular H-bonds with a good cycling stability for 50 cycles induced by visible light at 520 nm. Our work opens up a new method for making advanced molecular solar thermal storage materials by tuning molecular interactions on a nano-template. PMID:26289389
Laser Surface Preparation of Epoxy Composites for Secondary Bonding: Optimization of Ablation Depth
NASA Technical Reports Server (NTRS)
Palmieri, Frank L.; Hopkins, John; Wohl, Christopher J.; Lin, Yi; Connell, John W.; Belcher, Marcus A.; Blohowiak, Kay Y.
2015-01-01
Surface preparation has been identified as one of the most critical aspects of attaining predictable and reliable adhesive bonds. Energetic processes such as laser ablation or plasma treatment are amenable to automation and are easily monitored and adjusted for controlled surface preparation. A laser ablation process was developed to accurately remove a targeted depth of resin, approximately 0.1 to 20 micrometers, from a carbon fiber reinforced epoxy composite surface while simultaneously changing surface chemistry and creating micro-roughness. This work demonstrates the application of this process to prepare composite surfaces for bonding without exposing or damaging fibers on the surface. Composite panels were prepared in an autoclave and had a resin layer approximately 10 micrometers thick above the fiber reinforcement. These composite panels were laser surface treated using several conditions, fabricated into bonded panels and hygrothermally aged. Bond performance of aged, experimental specimens was compared with grit blast surface treated specimens using a modified double cantilever beam test that enabled accelerated saturation of the specimen with water. Comparison of bonded specimens will be used to determine how ablation depth may affect average fracture energies and failure modes.
Optimizing dentin bond durability: strategies to prevent hydrolytic degradation of the hybrid layer
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
Optimization of magnesia-based, cement-free, spinel bonded castables
NASA Astrophysics Data System (ADS)
Xing, Cheng
The optimization of magnesia-based, cement-free and spinel bonded MgO-Al2O3 castables with more than 70% magnesia and 5% hydratable alumina as binder has been conducted. The major aspects which have been covered during this study are: flowability, volume stability, physical and mechanical properties and corrosion resistance. Flowability tests have been carried out to determine the appropriate deflocculant type and addition level. Volume stability study is divided into two parts, one emphases on the effects of pre-reacted spinel addition on thermal expansion behaviors, the other focuses on the effect of silica fume additions. For the first part, three series have been tested with additions of 0%, 5%, 10% pre-reacted spinel. The starting temperature of in-situ spinel formed is around 1100°C. The reversible thermal expansion coefficient of MgO-Al 2O3 castable corresponds to the expansion of the magnesia for temperature up to 1100°C. Above 1100°C, the thermal expansion of MgO-Al2O3 castable is consistent with phenomenological model with three distinct contributions: the reversible thermal expansion of MgO aggregate, the volume exchange due to the formation of spinel from the reaction of MgO, Al2O3 and the high temperature shrinkage from fine powders sintering. For the second part, silica fume was added at 0--3% to two series, with or without pre-reacted spinel AR78 addition. With silica fume addition, the in-situ spinel formation is enhanced. Adding silica fume into castable doesn't change the thermal expansion behavior below 1100°C, but does at higher temperature, increasing the maximum thermal expansion and decreasing the temperature at maximum thermal expansion. The additional level also remarkably affects thermal expansion of MgO-Al2O3 castable at high temperature. Adding pre-reacted spinel AR78 still can control the expansion. The effects of pre-reacted spinel and SiO2 fume addition on physical and mechanical properties of MgO-Al2O3 castable are discussed. The
NASA Astrophysics Data System (ADS)
Lindlein, Norbert; Leuchs, Gerd
This chapter shall discuss the basics and the applications of geometrical optical methods in modern optics. Geometrical optics has a long tradition and some ideas are many centuries old. Nevertheless, the invention of modern personal computers which can perform several million floating-point operations in a second also revolutionized the methods of geometrical optics and so several analytical methods lost importance whereas numerical methods such as ray tracing became very important. Therefore, the emphasis in this chapter is also on modern numerical methods such as ray tracing and some other systematic methods such as the paraxial matrix theory.
Park, Ga Young; Qayyum, Munzarin F.; Woertink, Julia; Hodgson, Keith O.; Hedman, Britt; Narducci Sarjeant, Amy A.; Solomon, Edward I.; Karlin, Kenneth D.
2012-01-01
Certain side-on peroxo dicopper(II) species with particularly low υO–O (710–730 cm−1) have been found in equilibrium with their bis-μ-oxo dicopper(III) isomer. An issue is whether such side-on peroxo bridges are further activated for O–O cleavage. In a previous study (Liang, H.-C., et al., J. Am. Chem. Soc. 2002, 124, 4170–4171), we showed that oxygenation of the three-coordinate complex [CuI(MeAN)]+ (MeAN=N-methyl-N,N-bis[3-(dimethylamino)propyl]amine) leads to a low-temperature stable [{CuII(MeAN)}2(μ-η2:η2-O22−)]2+ peroxo species with low υO–O (721 cm−1), as characterized by UV-Vis absorption and resonance Raman (rR) spectroscopies. Here, this complex has been crystallized as its SbF6− salt and an X-ray structure indicates the presence of an unusually long O–O bond (1.540(5) Å) consistent with the low υO–O. EXAFS and rR spectroscopic and reactivity studies indicate the exclusive formation of [{CuII(MeAN)}2(μ-η2:η2-O22−)]2+ without any bis-μ-oxo-dicopper(III) isomer present. This is the first structure of a side-on peroxo dicopper(II) species with a significantly long and weak O–O bond. DFT calculations show that the weak O–O bond results from strong σ donation from the MeAN ligand to Cu that is compensated by a decrease in the extent of peroxo to Cu charge transfer. Importantly, the weak O–O bond does not reflect an increase in backbonding into the σ* orbital of the peroxide. Thus, although the O–O bond is unusually weak, this structure is not further activated for reductive cleavage to form a reactive bis-μ-oxo-dicopper(III) species. These results highlight the necessity of understanding electronic structure changes associated with spectral changes for correlations to reactivity. PMID:22571744
Muñoz, P; Pastor, D; Capmany, J; Martínez, A
2003-09-22
In this paper, the procedure to optimize flat-top Arrayed Waveguide Grating (AWG) devices in terms of transmission and dispersion properties is presented. The systematic procedure consists on the stigmatization and minimization of the Light Path Function (LPF) used in classic planar spectrograph theory. The resulting geometry arrangement for the Arrayed Waveguides (AW) and the Output Waveguides (OW) is not the classical Rowland mounting, but an arbitrary geometry arrangement. Simulation using previous published enhanced modeling show how this geometry reduces the passband ripple, asymmetry and dispersion, in a design example. PMID:19471353
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.
NASA Astrophysics Data System (ADS)
Shahbazmohamadi, Sina; Jordan, Eric H.
2012-12-01
Creation of three-dimensional representations of surfaces from images taken at two or more view angles is a well-established technique applied to optical images and is frequently used in combination with scanning electron microscopy (SEM). The present work describes specific steps taken to optimize and enhance the repeatability of three-dimensional surfaces reconstructed from SEM images. The presented steps result in an approximately tenfold improvement in the repeatability of the surface reconstruction compared to more standard techniques. The enhanced techniques presented can be used with any SEM friendly samples. In this work the modified technique was developed in order to accurately quantify surface geometry changes in metallic bond coats used with thermal barrier coatings (TBCs) to provide improved turbine hot part durability. Bond coat surfaces are quite rough, and accurate determination of surface geometry change (rumpling) requires excellent repeatability. Rumpling is an important contributor to TBC failure, and accurate quantification of rumpling is important to better understanding of the failure behavior of TBCs.
Bhattacharya, Debswapna; Cheng, Jianlin
2013-01-01
One of the major limitations of computational protein structure prediction is the deviation of predicted models from their experimentally derived true, native structures. The limitations often hinder the possibility of applying computational protein structure prediction methods in biochemical assignment and drug design that are very sensitive to structural details. Refinement of these low-resolution predicted models to high-resolution structures close to the native state, however, has proven to be extremely challenging. Thus, protein structure refinement remains a largely unsolved problem. Critical assessment of techniques for protein structure prediction (CASP) specifically indicated that most predictors participating in the refinement category still did not consistently improve model quality. Here, we propose a two-step refinement protocol, called 3Drefine, to consistently bring the initial model closer to the native structure. The first step is based on optimization of hydrogen bonding (HB) network and the second step applies atomic-level energy minimization on the optimized model using a composite physics and knowledge-based force fields. The approach has been evaluated on the CASP benchmark data and it exhibits consistent improvement over the initial structure in both global and local structural quality measures. 3Drefine method is also computationally inexpensive, consuming only few minutes of CPU time to refine a protein of typical length (300 residues). PMID:22927229
NASA Technical Reports Server (NTRS)
Grebowsky, G. J.
1982-01-01
Present LANDSAT data formats are reviewed to clarify how the geodetic location and registration capabilities were defined for P-tape products and RBV data. Since there is only one geometric model used in the master data processor, geometric location accuracy of P-tape products depends on the absolute accuracy of the model and registration accuracy is determined by the stability of the model. Due primarily to inaccuracies in data provided by the LANDSAT attitude management system, desired accuracies are obtained only by using ground control points and a correlation process. The verification of system performance with regards to geodetic location requires the capability to determine pixel positions of map points in a P-tape array. Verification of registration performance requires the capability to determine pixel positions of common points (not necessarily map points) in 2 or more P-tape arrays for a given world reference system scene. Techniques for registration verification can be more varied and automated since map data are not required. The verification of LACIE extractions is used as an example.
Ghani, Muhammad. U.; Yan, Aimin; Wong, Molly. D.; Li, Yuhua; Ren, Liqiang; Wu, Xizeng; Liu, Hong
2016-01-01
The objective of this study was to investigate the optimization of a high energy in-line phase sensitive x-ray imaging prototype under different geometric and operating conditions for mammography application. A phase retrieval algorithm based on phase attenuation duality (PAD) was applied to the phase contrast images acquired by the prototype. Imaging performance was investigated at four magnification values of 1.67, 2, 2.5 and 3 using an acrylic edge, an American College of Radiology (ACR) mammography phantom and contrast detail (CD) phantom with tube potentials of 100, 120 and 140 kVp. The ACR and CD images were acquired at the same mean glandular dose (MGD) of 1.29 mGy with a computed radiography (CR) detector of 43.75 µm pixel pitch at a fixed source to image distance (SID) of 170 cm. The x-ray tube focal spot size was kept constant as 7 µm while a 2.5 mm thick aluminum (Al) filter was used for beam hardening. The performance of phase contrast and phase retrieved images were compared with computer simulations based on the relative phase contrast factor (RPF) at high x-ray energies. The imaging results showed that the x-ray tube operated at 100 kVp under the magnification of 2.5 exhibits superior imaging performance which is in accordance to the computer simulations. As compared to the phase contrast images, the phase retrieved images of the ACR and CD phantoms demonstrated improved imaging contrast and target discrimination. We compared the CD phantom images acquired in conventional contact mode with and without the anti-scatter grid using the same prototype at 1.295 mGy and 2.59 mGy using 40 kVp, a 25 µm rhodium (Rh) filter. At the same radiation dose, the phase sensitive images provided improved detection capabilities for both the large and small discs, while compared to the double dose image acquired in conventional mode, the observer study also indicated that the phase sensitive images provided improved detection capabilities for the large discs. This
Ghani, Muhammad U; Yan, Aimin; Wong, Molly D; Li, Yuhua; Ren, Liqiang; Wu, Xizeng; Liu, Hong
2015-01-01
The objective of this study was to investigate the optimization of a high energy in-line phase sensitive x-ray imaging prototype under different geometric and operating conditions for mammography application. A phase retrieval algorithm based on phase attenuation duality (PAD) was applied to the phase contrast images acquired by the prototype. Imaging performance was investigated at four magnification values of 1.67, 2, 2.5 and 3 using an acrylic edge, an American College of Radiology (ACR) mammography phantom and contrast detail (CD) phantom with tube potentials of 100, 120 and 140 kVp. The ACR and CD images were acquired at the same mean glandular dose (MGD) of 1.29 mGy with a computed radiography (CR) detector of 43.75 μm pixel pitch at a fixed source to image distance (SID) of 170 cm. The x-ray tube focal spot size was kept constant as 7 μm while a 2.5 mm thick aluminum (Al) filter was used for beam hardening. The performance of phase contrast and phase retrieved images were compared with computer simulations based on the relative phase contrast factor (RPF) at high x-ray energies. The imaging results showed that the x-ray tube operated at 100 kVp under the magnification of 2.5 exhibits superior imaging performance which is in accordance to the computer simulations. As compared to the phase contrast images, the phase retrieved images of the ACR and CD phantoms demonstrated improved imaging contrast and target discrimination. We compared the CD phantom images acquired in conventional contact mode with and without the anti-scatter grid using the same prototype at 1.295 mGy and 2.59 mGy using 40 kVp, a 25 μm rhodium (Rh) filter. At the same radiation dose, the phase sensitive images provided improved detection capabilities for both the large and small discs, while compared to the double dose image acquired in conventional mode, the observer study also indicated that the phase sensitive images provided improved detection capabilities for the large discs. This
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...
van Lenthe, J H; Broer-Braam, H B; Rashid, Z
2012-03-30
We comment on the paper [Song et al., J. Comput. Chem. 2009, 30, 399]. and discuss the efficiency of the orbital optimization and gradient evaluation in the Valence Bond Self Consistent Field (VBSCF) method. We note that Song et al. neglect to properly reference Broer et al., who published an algorithm [Broer and Nieuwpoort, Theor. Chim. Acta 1988, 73, 405] to use a Fock matrix to compute a matrix element between two different determinants, which can be used for an orbital optimization. Further, Song et al. publish a misleading comparison with our VBSCF algorithm [Dijkstra and van Lenthe, J. Chem. Phys. 2000, 113, 2100; van Lenthe et al., Mol. Phys. 1991, 73, 1159] to enable them to favorably compare their algorithm with ours. We give detail timings in terms of different orbital types in the calculation and actual timings for the example cases. PMID:22278948
NASA Astrophysics Data System (ADS)
Shoji, Mitsuo; Isobe, Hiroshi; Saito, Toru; Kitagawa, Yasutaka; Yamanaka, Shusuke; Kawakami, Takashi; Okumura, Mitsutaka; Yamaguchi, Kizashi
Physiochemical properties of compound I and II intermediate states for heme enzymes (catalase, peroxidase, P450) and inorganic models are investigated by hybrid density functional theory. Used theoretical models are composed of an oxoferryl porphyrin and an axial ligand, which are cresol, methylimidazole, methylthiol, and chloride for catalase, peroxidase, P450, and inorganic models, respectively. The oxoferryl bonds are characterized in terms of bond lengths and vibration frequencies. It is found that the oxoferryl bond lengths (the stretching frequency) are shorter (higher) than those of the X-ray crystal structures of enzymes, on the other hand for inorganic models, they are comparable with the experimental values. Spin density distributions showed that radical state at the compound I can be classified into two types: (1) porphyrin radical state and (2) axial ligand radical state. Peroxidase and inorganic model are in the former case and Catalase and P450 are in the later case at the present calculation models. Magnetic interactions between oxoferryl and ligand radical moieties are analyzed by the natural orbital analysis and it is showed that the effective exchange integral (J) values are strongly related to the radical spin density distributions: axial ligand radical tends to increase the antiferromagnetic interaction. Mössbauer shift parameters are also evaluated and it is shown that iron charge states are similar for these models.
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)
Krezel, Artur; Kopera, Edyta; Protas, Anna Maria; Poznański, Jarosław; Wysłouch-Cieszyńska, Aleksandra; Bal, Wojciech
2010-03-17
Previously we demonstrated for several examples that peptides having a general internal sequence R(N)-Yaa-Ser/Thr-Xaa-His-Zaa-R(C) (Yaa = Glu or Ala, Xaa = Ala or His, Zaa = Lys, R(N) and R(C) = any N- and C-terminal amino acid sequence) were hydrolyzed specifically at the Yaa-Ser/Thr peptide bond in the presence of Ni(II) ions at alkaline pH (Krezel, A., Mylonas, M., Kopera, E. and Bal, E. Acta Biochim. Polon. 2006, 53, 721-727 and references therein). Hereby we report the synthesis of a combinatorial library of CH(3)CO-Gly-Ala-(Ser/Thr)-Xaa-His-Zaa-Lys-Phe-Leu-NH(2) peptides, where Xaa residues included 17 common alpha-amino acids (except Asp, Glu, and Cys) and Zaa residues included 19 common alpha-amino acids (except Cys). The Ni(II)-dependent hydrolysis at 37 and 45 degrees C of batches of combinatorial peptide mixtures randomized at Zaa was monitored by MALDI-TOF mass spectrometry. The correctness of library-based predictions was confirmed by accurate measurements of hydrolysis rates of seven selected peptides using HPLC. The hydrolysis was strictly limited to the Ala-Ser/Thr bond in all library and individual peptide experiments. The effects of individual residues on hydrolysis rates were quantified and correlated with physical properties of their side chains according to a model of independent contributions of Xaa and Zaa residues. The principal component analysis calculations demonstrated partial molar side chain volume and the free energy of amino acid vaporization for both Xaa and Zaa residues and the amine pK(a) for Zaa residues to be the most significant empirical parameters influencing the hydrolysis rate. Therefore, efficient hydrolysis required bulky and hydrophobic residues at both variable positions Xaa and Zaa, which contributed independently to the hydrolysis rate. This relationship between the peptide sequence and the hydrolysis rate provides a basis for further research, aimed at the elucidation of the reaction mechanism and biotechnological
NASA Astrophysics Data System (ADS)
Xiao, Ruijuan; Li, Hong; Chen, Liquan
2015-09-01
Looking for solid state electrolytes with fast lithium ion conduction is an important prerequisite for developing all-solid-state lithium secondary batteries. By combining the simulation techniques in different levels of accuracy, e.g. the bond-valence (BV) method and the density functional theory (DFT), a high-throughput design and optimization scheme is proposed for searching fast lithium ion conductors as candidate solid state electrolytes for lithium rechargeable batteries. The screening from more than 1000 compounds is performed through BV-based method, and the ability to predict reliable tendency of the Li+ migration energy barriers is confirmed by comparing with the results from DFT calculations. β-Li3PS4 is taken as a model system to demonstrate the application of this combination method in optimizing properties of solid electrolytes. By employing the high-throughput DFT simulations to more than 200 structures of the doping derivatives of β-Li3PS4, the effects of doping on the ionic conductivities in this material are predicted by the BV calculations. The O-doping scheme is proposed as a promising way to improve the kinetic properties of this materials, and the validity of the optimization is proved by the first-principles molecular dynamics (FPMD) simulations.
Xiao, Ruijuan; Li, Hong; Chen, Liquan
2015-01-01
Looking for solid state electrolytes with fast lithium ion conduction is an important prerequisite for developing all-solid-state lithium secondary batteries. By combining the simulation techniques in different levels of accuracy, e.g. the bond-valence (BV) method and the density functional theory (DFT), a high-throughput design and optimization scheme is proposed for searching fast lithium ion conductors as candidate solid state electrolytes for lithium rechargeable batteries. The screening from more than 1000 compounds is performed through BV-based method, and the ability to predict reliable tendency of the Li+ migration energy barriers is confirmed by comparing with the results from DFT calculations. β-Li3PS4 is taken as a model system to demonstrate the application of this combination method in optimizing properties of solid electrolytes. By employing the high-throughput DFT simulations to more than 200 structures of the doping derivatives of β-Li3PS4, the effects of doping on the ionic conductivities in this material are predicted by the BV calculations. The O-doping scheme is proposed as a promising way to improve the kinetic properties of this materials, and the validity of the optimization is proved by the first-principles molecular dynamics (FPMD) simulations. PMID:26387639
Hydrogen bonds in methane-water clusters.
Salazar-Cano, Juan-Ramón; Guevara-García, Alfredo; Vargas, Rubicelia; Restrepo, Albeiro; Garza, Jorge
2016-08-24
Characterization of hydrogen bonds in CH4-(H2O)12 clusters was carried out by using several quantum chemistry tools. An initial stochastic search provided around 2 500 000 candidate structures, then, using a convex-hull polygon criterion followed by gradient based optimization under the Kohn-Sham scheme, a total of 54 well defined local minima were located in the Potential Energy Surface. These structures were further analyzed through second-order many-body perturbation theory with an extended basis set at the MP2/6-311++G(d,p) level. Our analysis of Gibbs energies at several temperatures clearly suggests a structural preference toward compact water clusters interacting with the external methane molecule, instead of the more commonly known clathrate-like structures. This study shows that CH4-(H2O)12 clusters may be detected at temperatures up to 179 K, this finding provides strong support to a recently postulated hypothesis that suggests that methane-water clusters could be present in Mars at these conditions. Interestingly, we found that water to water hydrogen bonding is strengthened in the mixed clusters when compared to the isolated water dimer, which in turn leads to a weakening of the methane to water hydrogen bonding when compared to the CH4-(H2O) dimer. Finally, our evidence places a stern warning about the abilities of popular geometrical criteria to determine the existence of hydrogen bonds. PMID:27492605
Jang, Seogjoo; Rivera, Eva; Montemayor, Daniel
2015-03-19
The light harvesting 2 (LH2) antenna complex from purple photosynthetic bacteria is an efficient natural excitation energy carrier with well-known symmetric structure, but the molecular level design principle governing its structure-function relationship is unknown. Our all-atomistic simulations of nonnatural analogues of LH2 as well as those of a natural LH2 suggest that nonnatural sizes of LH2-like complexes could be built. However, stable and consistent hydrogen bonding (HB) between bacteriochlorophyll and the protein is shown to be possible only near naturally occurring sizes, leading to significantly smaller disorder than for nonnatural ones. Extensive quantum calculations of intercomplex exciton transfer dynamics, sampled for a large set of disorder, reveal that taming the negative effect of disorder through a reliable HB as well as quantum delocalization of the exciton is a critical mechanism that makes LH2 highly functional, which also explains why the natural sizes of LH2 are indeed optimal. PMID:26262847
Geometric Algebra for Physicists
NASA Astrophysics Data System (ADS)
Doran, Chris; Lasenby, Anthony
2007-11-01
Preface; Notation; 1. Introduction; 2. Geometric algebra in two and three dimensions; 3. Classical mechanics; 4. Foundations of geometric algebra; 5. Relativity and spacetime; 6. Geometric calculus; 7. Classical electrodynamics; 8. Quantum theory and spinors; 9. Multiparticle states and quantum entanglement; 10. Geometry; 11. Further topics in calculus and group theory; 12. Lagrangian and Hamiltonian techniques; 13. Symmetry and gauge theory; 14. Gravitation; Bibliography; Index.
NASA Astrophysics Data System (ADS)
Pariona, Moisés Meza; de Oliveira, Fabiane; Teleginski, Viviane; Machado, Siliane; Pinto, Marcio Augusto Villela
2016-05-01
Al-1.5 wt% Fe alloy was irradiate by Yb-fiber laser beam using the laser surface remelting (LSR) technique, generating weld fillets that covered the whole surface of the sample. The laser-treatment showed to be an efficient technology for corrosion resistance improvements. In this study, the finite element method was used to simulate the solidification processes by LSR technique. The method Multigrid was employed in order to reduce the CPU time, which is important to the viability for industrial applications. Multigrid method is a technique very promising of optimization that reduced drastically the CPU time. The result was highly satisfactory, because the CPU time has fallen dramatically in comparison when it was not used Multigrid method. To validate the result of numerical simulation with the experimental result was done the microstructural characterization of laser-treated layer by the optical microscopy and SEM techniques and however, that both results showing be consistent.
Irvine, D M; Cole, A J; Hanna, G G; McGarry, C K
2015-01-01
Objective: The aim of this study was to identify sources of anatomical misrepresentation owing to the location of camera mounting, tumour motion velocity and image processing artefacts in order to optimize the four-dimensional CT (4DCT) scan protocol and improve geometrical–temporal accuracy. Methods: A phantom with an imaging insert was driven with a sinusoidal superior–inferior motion of varying amplitude and period for 4DCT scanning. The length of a high-density cube within the insert was measured using treatment planning software to determine the accuracy of its spatial representation. Scan parameters were varied, including the tube rotation period and the cine time between reconstructed images. A CT image quality phantom was used to measure various image quality signatures under the scan parameters tested. Results: No significant difference in spatial accuracy was found for 4DCT scans carried out using the wall- or couch-mounted camera for sinusoidal target motion. Greater spatial accuracy was found for 4DCT scans carried out using a tube rotation speed of 0.5 s rather than 1.0 s. The reduction in image quality when using a faster rotation speed was not enough to require an increase in patient dose. Conclusion: The 4DCT accuracy may be increased by optimizing scan parameters, including choosing faster tube rotation speeds. Peak misidentification in the recorded breathing trace may lead to spatial artefacts, and this risk can be reduced by using a couch-mounted infrared camera. Advances in knowledge: This study explicitly shows that 4DCT scan accuracy is improved by scanning with a faster CT tube rotation speed. PMID:25470359
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…
NASA Astrophysics Data System (ADS)
Abad, E.; Reingruber, J.; Sansom, M. S. P.
2009-02-01
We present a novel rate theory based on the notions of splitting probability and mean first passage time to describe single-ion conduction in narrow, effectively one-dimensional membrane channels. In contrast to traditional approaches such as transition state theory or Kramers theory, transitions between different conduction states in our model are governed by rates which depend on the full geometry of the potential of mean force (PMF) resulting from the superposition of an equilibrium free energy profile and a transmembrane potential induced by a nonequilibrium constraint. If a detailed theoretical PMF is available (e.g., from atomistic molecular dynamics simulations), it can be used to compute characteristic conductance curves in the framework of our model, thereby bridging the gap between the atomistic and the mesoscopic level of description. Explicit analytic solutions for the rates, the ion flux, and the associated electric current can be obtained by approximating the actual PMF by a piecewise linear potential. As illustrative examples, we consider both a theoretical and an experimental application of the model. The theoretical example is based on a hypothetical channel with a fully symmetric sawtooth equilibrium PMF. For this system, we explore how changes in the spatial extent of the binding sites affect the rate of transport when a linear voltage ramp is applied. Already for the case of a single binding site, we find that there is an optimum size of the site which maximizes the current through the channel provided that the applied voltage exceeds a threshold value given by the binding energy of the site. The above optimization effect is shown to arise from the complex interplay between the channel structure and the applied electric field, expressed by a nonlinear dependence of the rates with respect to the linear size of the binding site. In studying the properties of current-voltage curves, we find a double crossover between sublinear and superlinear
Scriven, E P; Powell, B J
2012-08-31
We show that the electronic structures of the title compounds predicted by density functional theory are well described by tight binding models. We determine the frustration ratio, J'/J, of the Heisenberg model on the anisotropic triangular lattice, which describes the spin degrees of freedom in the Mott insulating phase for a range of Pd(dmit)2 salts. All of the antiferromagnetic materials studied have J'/J is < or approximately equal to 0.5 or J'/J > or approximately equal to 0.9, and all salts with 0.5 < or approximately equal to J'/J < or approximately equal to 0.9 are known, experimentally, to be charge ordered valence-bond solids or spin liquids. PMID:23002879
NASA Astrophysics Data System (ADS)
Resat, Marianne Sowa; Smolanoff, Jason N.; Goldman, Ilyse B.; Anderson, Scott L.
1994-06-01
We report a combined experimental and theoretical study of the reaction of small carbon cluster cations with N2O aimed at understanding the reaction mechanism and how it is affected by the electronic and geometric structure of the C+n reactants. Cross sections for reaction of C+n (n=3-12) with N2O were measured over a collision energy range from 0.1-10 eV, using a guided ion beam tandem mass spectrometer. Ab initio calculations were used to examine the structure and energetics of reactant and product species. Small clusters, which are linear, react with no activation barrier, resulting in either oxide or nitride formation. The branching between oxide and nitride channels shows a strong even-odd alternation, with even clusters preferentially forming nitrides. This appears to be correlated with an even/odd alternation in the ionization potential of the CnN. The larger, monocyclic C+n have activation barriers for reaction, and a completely different product distribution. Secondary reactions of the primary oxide and nitride products were studied at high N2O pressures. Products containing two O or two N atoms are not observed, but it is possible to add one of each. Possible reaction mechanisms are discussed and supported by thermochemistry derived from spin restricted ab initio calculations.
Geometric intrinsic symmetries
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.
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.
Descriptive Geometry and Geometric Modeling.
ERIC Educational Resources Information Center
Adams, J. Alan
1988-01-01
Describes experiences for engineering students to develop spatial awareness and reasoning capability. Describes geometric modeling, basic geometric concepts, operations, surface modeling, and conclusions. (YP)
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…
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.
NASA Astrophysics Data System (ADS)
Thiruvikraman, C.; Balasubramanian, V.; Sridhar, K.
2014-06-01
High velocity oxygen fuel (HVOF)-sprayed cermet coatings are extensively used to combat erosion-corrosion in naval applications and in slurry environments. HVOF spray parameters such as oxygen flow rate, fuel flow rate, powder feed rate, carrier gas flow rate, and spray distance have significant influence on coating characteristics like adhesion bond strength and shear strength. This paper presents the use of statistical techniques in particular response surface methodology (RSM), analysis of variance, and regression analysis to develop empirical relationships to predict adhesion bond strength and lap shear bond strength of HVOF-sprayed WC-CrC-Ni coatings. The developed empirical relationships can be effectively used to predict adhesion bond strength and lap shear bond strength of HVOF-sprayed WC-CrC-Ni coatings at 95% confidence level. Response graphs and contour plots were constructed to identify the optimum HVOF spray parameters to attain maximum bond strength in WC-CrC-Ni coatings.
Halogen Bonding in Hypervalent Iodine Compounds.
Catalano, Luca; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe; Terraneo, Giancarlo
2016-01-01
Halogen bonds occur when electrophilic halogens (Lewis acids) attractively interact with donors of electron density (Lewis bases). This term is commonly used for interactions undertaken by monovalent halogen derivatives. The aim of this chapter is to show that the geometric features of the bonding pattern around iodine in its hypervalent derivatives justify the understanding of some of the longer bonds as halogen bonds. We suggest that interactions directionality in ionic and neutral λ(3)-iodane derivatives is evidence that the electron density distribution around iodine atoms is anisotropic, a region of most positive electrostatic potential exists on the extensions of the covalent bonds formed by iodine, and these positive caps affect, or even determine, the crystal packing of these derivatives. For instance, the short cation-anion contacts in ionic λ(3)-iodane and λ(5)-iodane derivatives fully match the halogen bond definition and geometrical prerequisites. The same holds for the short contacts the cation of ionic λ(3)-iodanes forms with lone-pair donors or the short contacts given by neutral λ(3)-iodanes with incoming nucleophiles. The longer and weaker bonds formed by iodine in hypervalent compounds are usually called secondary bondings and we propose that the term halogen bond can also be used. Compared to the term secondary bond, halogen bond may possibly be more descriptive of some bonding features, e.g., its directionality and the relationships between structure of interacting groups and interaction strength. PMID:26809623
Geometric requirements for multidisciplinary analysis of aerospace-vehicle design
NASA Technical Reports Server (NTRS)
Smith, Robert E.; Kerr, Patirca A.
1992-01-01
The geometric requirements for creating surfaces and grids for multidisciplinary analysis and optimization of aerospace-vehicle designs are described. Geometric surface representations are outlined and compared. Directions for future designs are proposed. High-speed civil transport aircraft configurations are targeted to demonstrate the processes.
Inflation from geometrical tachyons
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.
Graf, Jeff; d'Astuto, M.; Jozwiak, C.; Garcia, D.R.; Saini, N.L.; Krisch, M.; Ikeuchi, K.; Baron, A.Q.R.; Eisaki, H.; Lanzara, Alessandra
2008-05-08
We report the first measurement of the Cu-O bond stretching phonon dispersion in optimally doped Bi2Sr1.6La0.4Cu2O6+delta using inelastic x-ray scattering. We found a softening of this phonon at q=(0.25,0,0) from 76 to 60 meV, similar to the one reported in other cuprates. A comparison with angle-resolved photoemission data on the same sample revealed an excellent agreement in terms of energy and momentum between the angle-resolved photoemission nodal kink and the soft part of the bond stretching phonon. Indeed, we find that the momentum space where a 63+-5 meV kink is observed can be connected with a vector q=(xi,0,0) with xi>= 0.22, corresponding exactly to the soft part of the bond stretching phonon.
NASA Technical Reports Server (NTRS)
Shahshahani, M.
1991-01-01
The performance characteristics are discussed of certain algebraic geometric codes. Algebraic geometric codes have good minimum distance properties. On many channels they outperform other comparable block codes; therefore, one would expect them eventually to replace some of the block codes used in communications systems. It is suggested that it is unlikely that they will become useful substitutes for the Reed-Solomon codes used by the Deep Space Network in the near future. However, they may be applicable to systems where the signal to noise ratio is sufficiently high so that block codes would be more suitable than convolutional or concatenated codes.
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.
Adaptive Source Coding Schemes for Geometrically Distributed Integer Alphabets
NASA Technical Reports Server (NTRS)
Cheung, K-M.; Smyth, P.
1993-01-01
Revisit the Gallager and van Voorhis optimal source coding scheme for geometrically distributed non-negative integer alphabets and show that the various subcodes in the popular Rice algorithm can be derived from the Gallager and van Voorhis code.
PREFACE: Geometrically frustrated magnetism Geometrically frustrated magnetism
NASA Astrophysics Data System (ADS)
Gardner, Jason S.
2011-04-01
Frustrated magnetism is an exciting and diverse field in condensed matter physics that has grown tremendously over the past 20 years. This special issue aims to capture some of that excitement in the field of geometrically frustrated magnets and is inspired by the 2010 Highly Frustrated Magnetism (HFM 2010) meeting in Baltimore, MD, USA. Geometric frustration is a broad phenomenon that results from an intrinsic incompatibility between some fundamental interactions and the underlying lattice geometry based on triangles and tetrahedra. Most studies have centred around the kagomé and pyrochlore based magnets but recent work has looked at other structures including the delafossite, langasites, hyper-kagomé, garnets and Laves phase materials to name a few. Personally, I hope this issue serves as a great reference to scientist both new and old to this field, and that we all continue to have fun in this very frustrated playground. Finally, I want to thank the HFM 2010 organizers and all the sponsors whose contributions were an essential part of the success of the meeting in Baltimore. Geometrically frustrated magnetism contents Spangolite: an s = 1/2 maple leaf lattice antiferromagnet? T Fennell, J O Piatek, R A Stephenson, G J Nilsen and H M Rønnow Two-dimensional magnetism and spin-size effect in the S = 1 triangular antiferromagnet NiGa2S4 Yusuke Nambu and Satoru Nakatsuji Short range ordering in the modified honeycomb lattice compound SrHo2O4 S Ghosh, H D Zhou, L Balicas, S Hill, J S Gardner, Y Qi and C R Wiebe Heavy fermion compounds on the geometrically frustrated Shastry-Sutherland lattice M S Kim and M C Aronson A neutron polarization analysis study of moment correlations in (Dy0.4Y0.6)T2 (T = Mn, Al) J R Stewart, J M Hillier, P Manuel and R Cywinski Elemental analysis and magnetism of hydronium jarosites—model kagome antiferromagnets and topological spin glasses A S Wills and W G Bisson The Herbertsmithite Hamiltonian: μSR measurements on single crystals
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.
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…
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…
Levels of Geometric Understanding.
ERIC Educational Resources Information Center
Pegg, John; Davey, Geoff
1991-01-01
Three activities are presented to assess the level of students' geometric understanding according to van Hiele learning model. The activities--Descriptions, Minimum Properties, and Class Inclusion--are applied to the example of classifying quadrilaterals as squares, rectangles, rhombi, or parallelograms. Implications of this assessment are…
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
MM Algorithms for Geometric and Signomial Programming.
Lange, Kenneth; Zhou, Hua
2014-02-01
This paper derives new algorithms for signomial programming, a generalization of geometric programming. The algorithms are based on a generic principle for optimization called the MM algorithm. In this setting, one can apply the geometric-arithmetic mean inequality and a supporting hyperplane inequality to create a surrogate function with parameters separated. Thus, unconstrained signomial programming reduces to a sequence of one-dimensional minimization problems. Simple examples demonstrate that the MM algorithm derived can converge to a boundary point or to one point of a continuum of minimum points. Conditions under which the minimum point is unique or occurs in the interior of parameter space are proved for geometric programming. Convergence to an interior point occurs at a linear rate. Finally, the MM framework easily accommodates equality and inequality constraints of signomial type. For the most important special case, constrained quadratic programming, the MM algorithm involves very simple updates. PMID:24634545
Geometric direct search algorithms for image registration.
Lee, Seok; Choi, Minseok; Kim, Hyungmin; Park, Frank Chongwoo
2007-09-01
A widely used approach to image registration involves finding the general linear transformation that maximizes the mutual information between two images, with the transformation being rigid-body [i.e., belonging to SE(3)] or volume-preserving [i.e., belonging to SL(3)]. In this paper, we present coordinate-invariant, geometric versions of the Nelder-Mead optimization algorithm on the groups SL(3), SE(3), and their various subgroups, that are applicable to a wide class of image registration problems. Because the algorithms respect the geometric structure of the underlying groups, they are numerically more stable, and exhibit better convergence properties than existing local coordinate-based algorithms. Experimental results demonstrate the improved convergence properties of our geometric algorithms. PMID:17784595
MM Algorithms for Geometric and Signomial Programming
Lange, Kenneth; Zhou, Hua
2013-01-01
This paper derives new algorithms for signomial programming, a generalization of geometric programming. The algorithms are based on a generic principle for optimization called the MM algorithm. In this setting, one can apply the geometric-arithmetic mean inequality and a supporting hyperplane inequality to create a surrogate function with parameters separated. Thus, unconstrained signomial programming reduces to a sequence of one-dimensional minimization problems. Simple examples demonstrate that the MM algorithm derived can converge to a boundary point or to one point of a continuum of minimum points. Conditions under which the minimum point is unique or occurs in the interior of parameter space are proved for geometric programming. Convergence to an interior point occurs at a linear rate. Finally, the MM framework easily accommodates equality and inequality constraints of signomial type. For the most important special case, constrained quadratic programming, the MM algorithm involves very simple updates. PMID:24634545
Effect of bonding on the performance of a piezoactuator-based active control system
NASA Technical Reports Server (NTRS)
Baz, A.; Poh, S.
1987-01-01
The utilization of piezoelectric actuators in controlling the structural vibrations of flexible beams is studied. A Modified Independent Modal Space Control (MIMSC) method is devised to select the optimal location, control gains and excitation voltage of the piezoelectric actuators in a way that would minimize the amplitudes of vibrations of beams to which these actuators are bonded, as well as the input control energy necessary to suppress these vibrations. The presented method accounts for the effects that the piezoelectric actuators and the bonding layers have on changing the elastic and inertial properties of the flexible beams. Numerical examples are presented to illustrate the application of the MIMSC method and to demonstrate the effect of the physical and geometrical properties of the bonding layer on the dynamic performance of the actively controlled beams. The obtained results emphasize the importance of the devised method in designing more realistic active control systems for flexible beams, in particular, and large flexible structures in general.
ERIC Educational Resources Information Center
Allard, M. June
Institutional bonding was examined at a public, urban commuter college with exceptionally high attrition and visibly low morale. Changes in bonding and attrition were measured 6 years after a 2-year effort to develop school identity and student feelings of membership. It was found that a simple index of campus morale is provided by level of…
Geometrical deuteron stripping revisited
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.
Geometric measures of entanglement
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.
Geometric diffusion of quantum trajectories
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
Geometric diffusion of quantum trajectories.
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
Quantum computation using geometric algebra
NASA Astrophysics Data System (ADS)
Matzke, Douglas James
This dissertation reports that arbitrary Boolean logic equations and operators can be represented in geometric algebra as linear equations composed entirely of orthonormal vectors using only addition and multiplication Geometric algebra is a topologically based algebraic system that naturally incorporates the inner and anticommutative outer products into a real valued geometric product, yet does not rely on complex numbers or matrices. A series of custom tools was designed and built to simplify geometric algebra expressions into a standard sum of products form, and automate the anticommutative geometric product and operations. Using this infrastructure, quantum bits (qubits), quantum registers and EPR-bits (ebits) are expressed symmetrically as geometric algebra expressions. Many known quantum computing gates, measurement operators, and especially the Bell/magic operators are also expressed as geometric products. These results demonstrate that geometric algebra can naturally and faithfully represent the central concepts, objects, and operators necessary for quantum computing, and can facilitate the design and construction of quantum computing tools.
Denault, Kristin A.; Brgoch, Jakoah; Gaultois, Michael W.; Mikhailovsky, Alexander; Petry, Ralf; Winkler, Holger; DenBaars, Steven P.; Seshadri, Ram
2014-08-19
The orthosilicate phosphors Sr_{x}Ba_{2–x}SiO_{4}:Eu^{2+} have now been known for over four decades and have found extensive recent use in solid-state white lighting. It is well-recognized in the literature and in practice that intermediate compositions in the solid-solutions between the orthosilicates Sr_{2}SiO_{4} and Ba_{2}SiO_{4} yield the best phosphor hosts when the thermal stability of luminescence is considered. We employ a combination of synchrotron X-ray diffraction, total scattering measurements, density functional theory calculations, and low-temperature heat capacity measurements, in conjunction with detailed temperature- and time-resolved studies of luminescence properties to understand the origins of the improved luminescence properties. We observe that in the intermediate compositions, the two cation sites in the crystal structure are optimally bonded as determined from bond valence sum calculations. Optimal bonding results in a more rigid lattice, as established by the intermediate compositions possessing the highest Debye temperature, which are determined experimentally from low-temperature heat capacity measurements. Greater rigidity in turn results in the highest luminescence efficiency for intermediate compositions at elevated temperatures.
NASA Astrophysics Data System (ADS)
Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih
2013-09-01
In the present work, the experimental and theoretical vibrational spectra of 4-chlorobenzothioamide were investigated. The FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of 4-chlorobenzothioamide in the solid phase were recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared and Raman intensities of the title molecule in the ground state were calculated using ab initio Hartree-Fock and density functional theory (B3LYP) methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and the theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 4-chlorobenzothioamide was also simulated to evaluate the effect of intermolecular hydrogen bonding on the vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while the in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯S hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.
NASA Astrophysics Data System (ADS)
Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih
2014-06-01
In the present work, the experimental and theoretical vibrational spectra of 5-hydroxymethyluracil were investigated. The FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase was recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared intensities of the title molecule in the ground state were calculated using density functional B3LYP and M06-2X methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data, and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 5-hydroxymethyluracil molecule was also simulated to evaluate the effect of intermolecular hydrogen bonding on its vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while its in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯O hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.
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.
NASA Astrophysics Data System (ADS)
Moosavi-Tekyeh, Zainab; Taherian, Fatemeh; Tayyari, Sayyed Faramarz
2016-05-01
The structural parameters, and vibrational frequencies of 5-nitrosalicylaldehyde (5NSA) were studied by the FT-IR and Raman spectra and the quantum chemical calculations carried out at the B3LYP/6-311++G(d,p) level of theory in order to investigate the intramolecular hydrogen bonding (IHB) present in its structure. The strength and nature of IHB in the optimized structure of 5NSA were studied in detail by means of the atoms in molecules (AIM) and the natural bond orbital (NBO) approaches. The results obtained were then compared with the corresponding data for its parent molecule, salicylaldehyde (SA). Comparisons made between the geometrical structures for 5NSA and SA, their OH/OD stretching and out-of-plane bending modes, their enthalpies for the hydrogen bond, and their AIM parameters demonstrated a stronger H-bonding in 5NSA compared with that in SA. The calculated binding enthalpy (ΔHbind) for 5NSA was -10.92 kcal mol-1. The observed νOH and γOH appeared at about 3120 cm-1 and 786 cm-1 respectively. The stretching frequency shift of H-bond formation was 426 cm-1 which is consistent with ΔHbind and the strength of H-bond in 5NSA. The delocalization energies and electron delocalization indices derived by the NBO and AIM approaches indicate that the resonance effects were responsible for the stronger IHB in 5NSA than in SA.
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.
Rahm, Martin; Hoffmann, Roald
2016-03-23
The energy change per electron in a chemical or physical transformation, ΔE/n, may be expressed as Δχ̅ + Δ(VNN + ω)/n, where Δχ̅ is the average electron binding energy, a generalized electronegativity, ΔVNN is the change in nuclear repulsions, and Δω is the change in multielectron interactions in the process considered. The last term can be obtained by the difference from experimental or theoretical estimates of the first terms. Previously obtained consequences of this energy partitioning are extended here to a different analysis of bonding in a great variety of diatomics, including more or less polar ones. Arguments are presented for associating the average change in electron binding energy with covalence, and the change in multielectron interactions with electron transfer, either to, out, or within a molecule. A new descriptor Q, essentially the scaled difference between the Δχ̅ and Δ(VNN + ω)/n terms, when plotted versus the bond energy, separates nicely a wide variety of bonding types, covalent, covalent but more correlated, polar and increasingly ionic, metallogenic, electrostatic, charge-shift bonds, and dispersion interactions. Also, Q itself shows a set of interesting relations with the correlation energy of a bond. PMID:26910496
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.
Geometrical aspects of entanglement
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.
Information geometric nonlinear filtering
NASA Astrophysics Data System (ADS)
Newton, Nigel J.
2015-06-01
This paper develops information geometric representations for nonlinear filters in continuous time. The posterior distribution associated with an abstract nonlinear filtering problem is shown to satisfy a stochastic differential equation on a Hilbert information manifold. This supports the Fisher metric as a pseudo-Riemannian metric. Flows of Shannon information are shown to be connected with the quadratic variation of the process of posterior distributions in this metric. Apart from providing a suitable setting in which to study such information-theoretic properties, the Hilbert manifold has an appropriate topology from the point of view of multi-objective filter approximations. A general class of finite-dimensional exponential filters is shown to fit within this framework, and an intrinsic evolution equation, involving Amari's -1-covariant derivative, is developed for such filters. Three example systems, one of infinite dimension, are developed in detail.
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.
Generalized Geometric Quantum Speed Limits
NASA Astrophysics Data System (ADS)
Pires, Diego Paiva; Cianciaruso, Marco; Céleri, Lucas C.; Adesso, Gerardo; Soares-Pinto, Diogo O.
2016-04-01
The attempt to gain a theoretical understanding of the concept of time in quantum mechanics has triggered significant progress towards the search for faster and more efficient quantum technologies. One of such advances consists in the interpretation of the time-energy uncertainty relations as lower bounds for the minimal evolution time between two distinguishable states of a quantum system, also known as quantum speed limits. We investigate how the nonuniqueness of a bona fide measure of distinguishability defined on the quantum-state space affects the quantum speed limits and can be exploited in order to derive improved bounds. Specifically, we establish an infinite family of quantum speed limits valid for unitary and nonunitary evolutions, based on an elegant information geometric formalism. Our work unifies and generalizes existing results on quantum speed limits and provides instances of novel bounds that are tighter than any established one based on the conventional quantum Fisher information. We illustrate our findings with relevant examples, demonstrating the importance of choosing different information metrics for open system dynamics, as well as clarifying the roles of classical populations versus quantum coherences, in the determination and saturation of the speed limits. Our results can find applications in the optimization and control of quantum technologies such as quantum computation and metrology, and might provide new insights in fundamental investigations of quantum thermodynamics.
Insights on hydrogen-bond lifetimes in liquid and supercooled water.
Martiniano, H F M C; Galamba, N
2013-12-19
We study the temperature dependence of the lifetime of geometric and geometric/energetic water hydrogen-bonds (H-bonds), down to supercooled water, through molecular dynamics. The probability and lifetime of H-bonds that break either by translational or librational motions and those of energetic broken H-bonds, along with the effects of transient broken H-bonds and transient H-bonds, are considered. We show that the fraction of transiently broken energetic H-bonds increases at low temperatures and that this energetic breakdown is caused by oxygen-oxygen electrostatic repulsions upon too small amplitude librations to disrupt geometric H-bonds. Hence, differences between geometric and energetic continuous H-bond lifetimes are associated with large H-bond energy fluctuations, in opposition to moderate geometric fluctuations, within common energetic and geometric H-bond definition thresholds. Exclusion of transient broken H-bonds and transient H-bonds leads to H-bond definition-independent mean lifetimes and activation energies, ~11 kJ/mol, consistent with the reactive flux method and experimental scattering results. Further, we show that power law decay of specific temporal H-bond lifetime probability distributions is associated with librational and translational motions that occur on the time scale (~0.1 ps) of H-bond breaking /re-forming dynamics. While our analysis is diffusion-free, the effect of diffusion on H-bond probability distributions where H-bonds are allowed to break and re-form, switching acceptors in between, is shown to result in neither exponential nor power law decay, similar to the reactive flux correlation function. PMID:24279452
Delaney, P. )
1993-10-01
Yankee and Euromarket bonds may soon find their way into the financing of power projects in Latin America. For developers seeking long-term commitments under build, own, operate, and transfer (BOOT) power projects in Latin America, the benefits are substantial.
Enhancing geometric reasoning.
Mistretta, R M
2000-01-01
Geometry is an important part of the mathematics curriculum. However, students are not demonstrating strong conceptual knowledge of this subject. The research of Van Hiele and Van Hiele-Geldof has focused on the concept of thinking levels in geometry and the role of instruction in raising levels of thinking. This paper describes a field trial of a supplemental geometry unit intended to raise Van Hiele thinking levels in a group of 23 eighth-grade students by having them become more adept at using higher order thinking skills. Sample questions assessing particular Van Hiele thinking levels and attitudes toward geometry, as well as field-tested activities yielding the most positive results, are presented. Educators can benefit from this application of the Van Hiele model of geometric thinking, since the thought processes involved in learning geometry are explained, along with teaching techniques and tools for assessment. By having teachers become more aware of their students' cognitive skills, attitudes, and misconceptions, teaching practices and student achievement can be enhanced. PMID:11019778
Anderson, Robert C.
1976-06-22
1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.
Roumeli, Eleftheria; Papageorgiou, Dimitrios G; Tsanaktsis, Vasilios; Terzopoulou, Zoe; Chrissafis, Konstantinos; Avgeropoulos, Apostolos; Bikiaris, Dimitrios N
2015-06-01
In this work, the synthesis, structural characteristics, interfacial bonding, and mechanical properties of poly(ε-caprolactone) (PCL) nanocomposites with small amounts (0.5, 1.0, and 2.5 wt %) of amino-functionalized multiwalled carbon nanotubes (f-MWCNTs) prepared by ring-opening polymerization (ROP) are reported. This method allows the creation of a covalent-bonding zone on the surface of nanotubes, which leads to efficient debundling and therefore satisfactory dispersion and effective load transfer in the nanocomposites. The high covalent grafting extent combined with the higher crystallinity provide the basis for a significant enhancement of the mechanical properties, which was detected in the composites with up to 1 wt % f-MWCNTs. Increasing filler concentration encourages intrinsic aggregation forces, which allow only minor grafting efficiency and poorer dispersion and hence inferior mechanical performance. f-MWCNTs also cause a significant improvement on the polymerization reaction of PCL. Indeed, the in situ polymerization kinetics studies reveal a significant decrease in the reaction temperature, by a factor of 30-40 °C, combined with accelerated the reaction kinetics during initiation and propagation and a drastically reduced effective activation energy. PMID:25950403
Aerospace plane guidance using geometric control theory
NASA Technical Reports Server (NTRS)
Van Buren, Mark A.; Mease, Kenneth D.
1990-01-01
A reduced-order method employing decomposition, based on time-scale separation, of the 4-D state space in a 2-D slow manifold and a family of 2-D fast manifolds is shown to provide an excellent approximation to the full-order minimum-fuel ascent trajectory. Near-optimal guidance is obtained by tracking the reduced-order trajectory. The tracking problem is solved as regulation problems on the family of fast manifolds, using the exact linearization methodology from nonlinear geometric control theory. The validity of the overall guidance approach is indicated by simulation.
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...
Soydaş, Emine; Bozkaya, Uğur
2015-04-14
An assessment of orbital-optimized MP2.5 (OMP2.5) [ Bozkaya, U.; Sherrill, C. D. J. Chem. Phys. 2014, 141, 204105 ] for thermochemistry and kinetics is presented. The OMP2.5 method is applied to closed- and open-shell reaction energies, barrier heights, and aromatic bond dissociation energies. The performance of OMP2.5 is compared with that of the MP2, OMP2, MP2.5, MP3, OMP3, CCSD, and CCSD(T) methods. For most of the test sets, the OMP2.5 method performs better than MP2.5 and CCSD, and provides accurate results. For barrier heights of radical reactions and aromatic bond dissociation energies OMP2.5-MP2.5, OMP2-MP2, and OMP3-MP3 differences become obvious. Especially, for aromatic bond dissociation energies, standard perturbation theory (MP) approaches dramatically fail, providing mean absolute errors (MAEs) of 22.5 (MP2), 17.7 (MP2.5), and 12.8 (MP3) kcal mol(-1), while the MAE values of the orbital-optimized counterparts are 2.7, 2.4, and 2.4 kcal mol(-1), respectively. Hence, there are 5-8-folds reductions in errors when optimized orbitals are employed. Our results demonstrate that standard MP approaches dramatically fail when the reference wave function suffers from the spin-contamination problem. On the other hand, the OMP2.5 method can reduce spin-contamination in the unrestricted Hartree-Fock (UHF) initial guess orbitals. For overall evaluation, we conclude that the OMP2.5 method is very helpful not only for challenging open-shell systems and transition-states but also for closed-shell molecules. Hence, one may prefer OMP2.5 over MP2.5 and CCSD as an O(N(6)) method, where N is the number of basis functions, for thermochemistry and kinetics. The cost of the OMP2.5 method is comparable with that of CCSD for energy computations. However, for analytic gradient computations, the OMP2.5 method is only half as expensive as CCSD. PMID:26574366
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)
The geometric resistivity correction factor for several geometrical samples
NASA Astrophysics Data System (ADS)
Yilmaz, Serdar
2015-08-01
This paper reviews the geometric resistivity correction factor of the 4-point probe DC electrical conductivity measurement method using several geometrical samples. During the review of the literature, only the articles that include the effect of geometry on resistivity calculation were considered. Combinations of equations used for various geometries were also given. Mathematical equations were given in the text without details. Expressions for the most commonly used geometries were presented in a table for easy reference.
Geometric algorithms for sensor networks.
Gao, Jie; Guibas, Leonidas
2012-01-13
This paper surveys the use of geometric methods for wireless sensor networks. The close relationship of sensor nodes with their embedded physical space imposes a unique geometric character on such systems. The physical locations of the sensor nodes greatly impact on system design in all aspects, from low-level networking and organization to high-level information processing and applications. This paper reviews work in the past 10 years on topics such as network localization, geometric routing, information discovery, data-centric routing and topology discovery. PMID:22124080
Geometric approaches to mesh generation
Hoffmann, C.M.
1995-12-31
We review three approaches to mesh generation that axe based on analyzing and accounting for the geometric structure of the domain. In the first approach, due to Armstrong, the domain is partitioned into subdomains based on the medial-axis transform, a tool for analyzing spatial structures. In the second approach, due to Cox, the design history defines a geometric structure of the domain. The design primitives of that structure are meshed separately, and mesh overlap is accounted for by coupling equations. The third approach argues that mesh generation ought to be integrated into the shape design process, by meshing design features separately and resolving overlapping meshes by standard geometric computations.
Geometric phase shifting digital holography.
Jackin, Boaz Jessie; Narayanamurthy, C S; Yatagai, Toyohiko
2016-06-01
A new phase shifting digital holographic technique using a purely geometric phase in Michelson interferometric geometry is proposed. The geometric phase in the system does not depend upon either optical path length or wavelength, unlike dynamic phase. The amount of geometric phase generated is controllable through a rotating wave plate. The new approach has unique features and major advantages in holographic measurement of transparent and reflecting three-dimensional (3D) objects. Experimental results on surface shape measurement and imaging of 3D objects are presented using the proposed method. PMID:27244436
Geometric Effects on Electron Cloud
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.
NASA Technical Reports Server (NTRS)
1977-01-01
Another spinoff to the food processing industry involves a dry lubricant developed by General Magnaplate Corp. of Linden, N.J. Used in such spacecraft as Apollo, Skylab and Viking, the lubricant is a coating bonded to metal surfaces providing permanent lubrication and corrosion resistance. The coating lengthens equipment life and permits machinery to be operated at greater speed, thus increasing productivity and reducing costs. Bonded lubricants are used in scores of commercia1 applications. They have proved particularly valuable to food processing firms because, while increasing production efficiency, they also help meet the stringent USDA sanitation codes for food-handling equipment. For example, a cookie manufacturer plagued production interruptions because sticky batter was clogging the cookie molds had the brass molds coated to solve the problem. Similarly, a pasta producer faced USDA action on a sanitation violation because dough was clinging to an automatic ravioli-forming machine; use of the anti-stick coating on the steel forming plates solved the dual problem of sanitation deficiency and production line downtime.
Current Concept of Geometrical Accuracy
NASA Astrophysics Data System (ADS)
Görög, Augustín; Görögová, Ingrid
2014-06-01
Within the solving VEGA 1/0615/12 research project "Influence of 5-axis grinding parameters on the shank cutteŕs geometric accuracy", the research team will measure and evaluate geometrical accuracy of the produced parts. They will use the contemporary measurement technology (for example the optical 3D scanners). During the past few years, significant changes have occurred in the field of geometrical accuracy. The objective of this contribution is to analyse the current standards in the field of geometric tolerance. It is necessary to bring an overview of the basic concepts and definitions in the field. It will prevent the use of outdated and invalidated terms and definitions in the field. The knowledge presented in the contribution will provide the new perspective of the measurement that will be evaluated according to the current standards.
Guitars, Violins, and Geometric Sequences
ERIC Educational Resources Information Center
Barger, Rita; Haehl, Martha
2007-01-01
This article describes middle school mathematics activities that relate measurement, ratios, and geometric sequences to finger positions or the placement of frets on stringed musical instruments. (Contains 2 figures and 2 tables.)
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…
Algorithms of NCG geometrical module
NASA Astrophysics Data System (ADS)
Gurevich, M. I.; Pryanichnikov, A. V.
2012-12-01
The methods and algorithms of the versatile NCG geometrical module used in the MCU code system are described. The NCG geometrical module is based on the Monte Carlo method and intended for solving equations of particle transport. The versatile combinatorial body method, the grid method, and methods of equalized cross sections and grain structures are used for description of the system geometry and calculation of trajectories.
Algorithms of NCG geometrical module
Gurevich, M. I.; Pryanichnikov, A. V.
2012-12-15
The methods and algorithms of the versatile NCG geometrical module used in the MCU code system are described. The NCG geometrical module is based on the Monte Carlo method and intended for solving equations of particle transport. The versatile combinatorial body method, the grid method, and methods of equalized cross sections and grain structures are used for description of the system geometry and calculation of trajectories.
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.
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.
Geometric Mixing, Peristalsis, and the Geometric Phase of the Stomach
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
Geometric Mixing, Peristalsis, and the Geometric Phase of the Stomach.
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
Pauling bond strength, bond length and electron density distribution
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, /r)-0.21, determined for a large number of oxide crystals at ambient conditions and /r)-0.22, determined for geometry optimized hydroxyacid molecules, that connect the bond lengths to the average Pauling electrostatic bond strength, , for the M-O bonded interactions. On the basis of the correspondence between the two sets of equations connecting ρ(rc) and the Pauling bond strength s with bond length, it appears that Pauling’s simple definition of bond strength closely mimics the accumulation of the electron density between bonded pairs of atoms. The similarity of the expressions for the crystals and molecules is compelling evidence that the M-O bonded interactions for the crystals and molecules 2 containing the same bonded interactions are comparable. Similar expressions, connecting bond lengths and bond strength, have also been found to hold for fluoride, nitride and sulfide molecules and crystals. The Brown-Shannon bond valence, σ, power law expression σ = [R1/(R(M-O)]N that has found wide use in crystal chemistry, is shown to be connected to a more universal expression determined for oxides and the perovskites, <ρ(rc)> = r[(1.41)/
NASA Astrophysics Data System (ADS)
Rathi, Somilkumar; Ray, Asok
2008-03-01
Ab initio calculations within the framework of hybrid density functional theory and finite cluster approximation have been performed for the electronic and geometric structures of three different types of armchair germanium carbide nanotubes from (3, 3) to (11, 11). Full geometry and spin optimizations with unrestricted symmetry have been performed. A detailed comparison of the structures and stabilities of the three types of nanotubes will be presented. The dependence of the electronic band gaps on the respective tube diameters, energy density of states, dipole moments as well as Mulliken charge distributions have been investigated. Radial buckling of tube along with bond length variations is also studied. All armchair GeC nanotubes investigated so far are semiconducting in nature. Applications in the field of nano-optoelectronic devices, molecular electronics and band gap engineering are envisioned for GeC nanotubes.
Hirn, Ulrich; Schennach, Robert
2015-01-01
The process of papermaking requires substantial amounts of energy and wood consumption, which contributes to larger environmental costs. In order to optimize the production of papermaking to suit its many applications in material science and engineering, a quantitative understanding of bonding forces between the individual pulp fibers is of importance. Here we show the first approach to quantify the bonding energies contributed by the individual bonding mechanisms. We calculated the impact of the following mechanisms necessary for paper formation: mechanical interlocking, interdiffusion, capillary bridges, hydrogen bonding, Van der Waals forces, and Coulomb forces on the bonding energy. Experimental results quantify the area in molecular contact necessary for bonding. Atomic force microscopy experiments derive the impact of mechanical interlocking. Capillary bridges also contribute to the bond. A model based on the crystal structure of cellulose leads to values for the chemical bonds. In contrast to general believe which favors hydrogen bonding Van der Waals bonds play the most important role according to our model. Comparison with experimentally derived bond energies support the presented model. This study characterizes bond formation between pulp fibers leading to insight that could be potentially used to optimize the papermaking process, while reducing energy and wood consumption. PMID:26000898
NASA Astrophysics Data System (ADS)
Hirn, Ulrich; Schennach, Robert
2015-05-01
The process of papermaking requires substantial amounts of energy and wood consumption, which contributes to larger environmental costs. In order to optimize the production of papermaking to suit its many applications in material science and engineering, a quantitative understanding of bonding forces between the individual pulp fibers is of importance. Here we show the first approach to quantify the bonding energies contributed by the individual bonding mechanisms. We calculated the impact of the following mechanisms necessary for paper formation: mechanical interlocking, interdiffusion, capillary bridges, hydrogen bonding, Van der Waals forces, and Coulomb forces on the bonding energy. Experimental results quantify the area in molecular contact necessary for bonding. Atomic force microscopy experiments derive the impact of mechanical interlocking. Capillary bridges also contribute to the bond. A model based on the crystal structure of cellulose leads to values for the chemical bonds. In contrast to general believe which favors hydrogen bonding Van der Waals bonds play the most important role according to our model. Comparison with experimentally derived bond energies support the presented model. This study characterizes bond formation between pulp fibers leading to insight that could be potentially used to optimize the papermaking process, while reducing energy and wood consumption.
Simulation on Measurement Method of Geometric Distortion of Telescopes
NASA Astrophysics Data System (ADS)
Li, F.; Ren, S. L.
2015-11-01
Measuring the geometric distortion is conducive to improve the astrometric accuracy of telescopes, which is meaningful for many disciplines of astronomy, such as stellar clusters, natural satellites, asteroids, comets, and the other celestial bodies in the solar system. For this reason, researchers have developed an iterative self-calibration method to measure the geometric distortion of telescopes by observing a dense star field in the dithering mode, and have achieved many good results. However, the previous work did not constrain the density of star field or the dithering number in the observing mode, but chose relative good conditions to observe, which took up much observing time. In order to explore the validity of self-calibration method, and optimize its observing conditions, it is necessary to carry out the corresponding simulation. Firstly, we introduce the self-calibration method in detail in the present work. By the simulation method, the effectiveness of self-calibration method to give the geometric distortion is proved, and the observing conditions, such as the density of star field and dithering number, are optimized to give the geometric distortion with a high accuracy. Considering the practical application for correcting the geometric distortion, we also analyze the relation between the number of reference stars in the field of view and the astrometric accuracy by virtue of the simulation method.
Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers
NASA Astrophysics Data System (ADS)
Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian
2016-07-01
Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers.
Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers
Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian
2016-01-01
Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers. PMID:27403589
Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers.
Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian
2016-01-01
Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers. PMID:27403589
Geometric scalar theory of gravity
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.
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.
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.
Geometric pumping in autophoretic channels.
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
Geometrical spin symmetry and spin
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.
Geometric validation plan for ASTER
NASA Astrophysics Data System (ADS)
Iwasaki, Akira; Matsumoto, Ken; Fujisada, Hiroyuki
1998-12-01
The ASTER system is a multispectral imager which covers a spectral range from visible to thermal infrared light by combining three subsystems composed of four telescopes. To ensure the high-quality data products concerning to the geolocation and band-to-band matching performance, the geometric registration is needed. This paper describes the geometric validation procedure for a multi-telescope imager with a cross-track pointing function. The strategy for the maintenance of database files and the preparation a GCP library is also shown.
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.
Geometrical Optics of Dense Aerosols
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. __________________________________________________
A geometric approach to complexity.
Ay, Nihat; Olbrich, Eckehard; Bertschinger, Nils; Jost, Jürgen
2011-09-01
We develop a geometric approach to complexity based on the principle that complexity requires interactions at different scales of description. Complex systems are more than the sum of their parts of any size and not just more than the sum of their elements. Using information geometry, we therefore analyze the decomposition of a system in terms of an interaction hierarchy. In mathematical terms, we present a theory of complexity measures for finite random fields using the geometric framework of hierarchies of exponential families. Within our framework, previously proposed complexity measures find their natural place and gain a new interpretation. PMID:21974666
Patterned eutectic bonding with Al/Ge thin films for MEMS
NASA Astrophysics Data System (ADS)
Zavracky, Paul M.; Vu, Bao
1995-09-01
In this paper, we report our results using eutectic bonding with the aluminum/germanium alloy to create high quality bonds. The results of a series of experiments conducted to optimize eutectic alloy bonding for MEMS are described. Issues discussed include surface preparation, eutectic composition, bonding apparatus and bonding conditions (temperature and time).
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)
What Determines Bond Costs. Municipal Bonds Series.
ERIC Educational Resources Information Center
Young, Douglas; And Others
Public officials in small towns who participate infrequently in the bond market need information about bond financing. This publication, one in a series of booklets published by the Western Rural Development Center using research gathered between 1967-77, discusses factors influencing the marketability and cost of bond financing for towns and…
Processing geometric representations on SIMD computers
Hung, Y.
1988-01-01
This thesis contributes to designing parallel algorithms to process border and linear quadtree representations on mesh-connected computers (MCCs) and hypercubes. This thesis consists of two parts. The first part studies some primitive operations on mesh-connected computers and hypercubes. These include various routing tasks and several versions of the parallel prefix algorithms. It is shown how general routings can be done in O(n) time on an n {times} n mesh and O(d{sup 2}) on a d-dimensional hypercube (d-cube). Also presented are optimal routing algorithms for some classes of permutation routings. For the parallel prefix problem, the author describes how the initial prefixes can be computed efficiently when the data are mapped into the MCC or the hypercube in some specific manners. The second part deals with processing border codes and linear quadtrees. These include generating border codes and linear quadtrees from a given image, reconstructing the image from its geometric representations, computing various geometric properties, answering the point-in-region query, performing set operations, etc. For linear quadtrees, algorithms are also designed for finding neighbors of equal or larger size for all nodes simultaneously. A connected component-labeling algorithm is also presented.
Geometric Quantum Noise of Spin
NASA Astrophysics Data System (ADS)
Shnirman, Alexander; Gefen, Yuval; Saha, Arijit; Burmistrov, Igor S.; Kiselev, Mikhail N.; Altland, Alexander
2015-05-01
The presence of geometric phases is known to affect the dynamics of the systems involved. Here, we consider a quantum degree of freedom, moving in a dissipative environment, whose dynamics is described by a Langevin equation with quantum noise. We show that geometric phases enter the stochastic noise terms. Specifically, we consider small ferromagnetic particles (nanomagnets) or quantum dots close to Stoner instability, and investigate the dynamics of the total magnetization in the presence of tunneling coupling to the metallic leads. We generalize the Ambegaokar-Eckern-Schön effective action and the corresponding semiclassical equations of motion from the U(1) case of the charge degree of freedom to the SU(2) case of the magnetization. The Langevin forces (torques) in these equations are strongly influenced by the geometric phase. As a first but nontrivial application, we predict low temperature quantum diffusion of the magnetization on the Bloch sphere, which is governed by the geometric phase. We propose a protocol for experimental observation of this phenomenon.
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…
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.
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…
A geometrical perspective for the bargaining problem.
Wong, Kelvin Kian Loong
2010-01-01
A new treatment to determine the Pareto-optimal outcome for a non-zero-sum game is presented. An equilibrium point for any game is defined here as a set of strategy choices for the players, such that no change in the choice of any single player will increase the overall payoff of all the players. Determining equilibrium for multi-player games is a complex problem. An intuitive conceptual tool for reducing the complexity, via the idea of spatially representing strategy options in the bargaining problem is proposed. Based on this geometry, an equilibrium condition is established such that the product of their gains over what each receives is maximal. The geometrical analysis of a cooperative bargaining game provides an example for solving multi-player and non-zero-sum games efficiently. PMID:20436675
Random broadcast on random geometric graphs
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.
A geometric approach to quantum state separation
NASA Astrophysics Data System (ADS)
Bagan, E.; Yerokhin, V.; Shehu, A.; Feldman, E.; Bergou, J. A.
2015-12-01
Probabilistic quantum state transformations can be characterized by the degree of state separation they provide. This, in turn, sets limits on the success rate of these transformations. We consider optimum state separation of two known pure states in the general case where the known states have arbitrary a priori probabilities. The problem is formulated from a geometric perspective and shown to be equivalent to the problem of finding tangent curves within two families of conics that represent the unitarity constraints and the objective functions to be optimized, respectively. We present the corresponding analytical solutions in various forms. In the limit of perfect state separation, which is equivalent to unambiguous state discrimination, the solution exhibits a phenomenon analogous to a second order symmetry breaking phase transition. We also propose a linear optics implementation of separation which is based on the dual rail representation of qubits and single-photon multiport interferometry.
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…
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
Geometric Phases, Noise and Non-adiabatic Effects in Multi-level Superconducting Systems
NASA Astrophysics Data System (ADS)
Berger, S.; Pechal, M.; Abdumalikov, A. A.; Steffen, L.; Fedorov, A.; Wallraff, A.; Filipp, S.
2012-02-01
Geometric phases depend neither on time nor on energy, but only on the trajectory of the quantum system in state space. In previous studies [1], we have observed them in a Cooper pair box qubit, a system with large anharmonicity. We now make use of a superconducting transmon-type qubit with low anharmonicity to study geometric phases in a multi-level system. We measure the contribution of the second excited state to the geometric phase and find very good agreement with theory treating higher levels perturbatively. Furthermore, we quantify non-adiabatic corrections by decreasing the manipulation time in order to optimize our geometric gate. Geometric phases have also been shown to be resilient against adiabatic field fluctuations [2]. Here, we analyze the effect of artificially added noise on the geometric phase for different system trajectories. [1] P. J. Leek et al., Science 318, 1889 (2007) [2] S. Filipp et al., Phys. Rev. Lett. 102, 030404 (2009)
Geometrical Phases in Quantum Mechanics
NASA Astrophysics Data System (ADS)
Christian, Joy Julius
In quantum mechanics, the path-dependent geometrical phase associated with a physical system, over and above the familiar dynamical phase, was initially discovered in the context of adiabatically changing environments. Subsequently, Aharonov and Anandan liberated this phase from the original formulation of Berry, which used Hamiltonians, dependent on curves in a classical parameter space, to represent the cyclic variations of the environments. Their purely quantum mechanical treatment, independent of Hamiltonians, instead used the non-trivial topological structure of the projective space of one-dimensional subspaces of an appropriate Hilbert space. The geometrical phase, in their treatment, results from a parallel transport of the time-dependent pure quantum states along a curve in this space, which is endowed with an abelian connection. Unlike Berry, they were able to achieve this without resort to an adiabatic approximation or to a time-independent eigenvalue equation. Prima facie, these two approaches are conceptually quite different. After a review of both approaches, an exposition bridging this apparent conceptual gap is given; by rigorously analyzing a model composite system, it is shown that, in an appropriate correspondence limit, the Berry phase can be recovered as a special case from the Aharonov-Anandan phase. Moreover, the model composite system is used to show that Berry's correction to the traditional Born-Oppenheimer energy spectra indeed brings the spectra closer to the exact results. Then, an experimental arrangement to measure geometrical phases associated with cyclic and non-cyclic variations of quantum states of an entangled composite system is proposed, utilizing the fundamental ideas of the recently opened field of two-particle interferometry. This arrangement not only resolves the controversy regarding the true nature of the phases associated with photon states, but also unequivocally predicts experimentally accessible geometrical phases in a
Geometrical approach to tumor growth.
Escudero, Carlos
2006-08-01
Tumor growth has a number of features in common with a physical process known as molecular beam epitaxy. Both growth processes are characterized by the constraint of growth development to the body border, and surface diffusion of cells and particles at the growing edge. However, tumor growth implies an approximate spherical symmetry that makes necessary a geometrical treatment of the growth equations. The basic model was introduced in a former paper [C. Escudero, Phys. Rev. E 73, 020902(R) (2006)], and in the present work we extend our analysis and try to shed light on the possible geometrical principles that drive tumor growth. We present two-dimensional models that reproduce the experimental observations, and analyze the unexplored three-dimensional case, for which interesting conclusions on tumor growth are derived. PMID:17025466
The verdict geometric quality library.
Knupp, Patrick Michael; Ernst, C.D. (Elemental Technologies, Inc., American Fork, UT); Thompson, David C.; Stimpson, C.J.; Pebay, Philippe Pierre
2006-03-01
Verdict is a collection of subroutines for evaluating the geometric qualities of triangles, quadrilaterals, tetrahedra, and hexahedra using a variety of metrics. A metric is a real number assigned to one of these shapes depending on its particular vertex coordinates. These metrics are used to evaluate the input to finite element, finite volume, boundary element, and other types of solvers that approximate the solution to partial differential equations defined over regions of space. The geometric qualities of these regions is usually strongly tied to the accuracy these solvers are able to obtain in their approximations. The subroutines are written in C++ and have a simple C interface. Each metric may be evaluated individually or in combination. When multiple metrics are evaluated at once, they share common calculations to lower the cost of the evaluation.
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.
Geometrical scaling for identified particles
NASA Astrophysics Data System (ADS)
Praszalowicz, Michal
2013-12-01
We show that recently measured transverse momentum spectra of identified particles exhibit geometrical scaling (GS) in scaling variable τ=(( where m=√{m2+pT2}-m. We explore consequences of GS and show that both mid rapidity multiplicity and mean transverse momenta grow as powers of scattering energy. Furthermore, assuming Tsallis-like parametrization of the spectra we calculate the coefficients of this growth. We also show that Tsallis temperature is related to the average saturation scale.
Geometrical interpretation of optical absorption
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.
Geometric Landau-Zener interferometry.
Gasparinetti, S; Solinas, P; Pekola, J P
2011-11-11
We propose a new type of interferometry, based on geometric phases accumulated by a periodically driven two-level system undergoing multiple Landau-Zener transitions. As a specific example, we study its implementation in a superconducting charge pump. We find that interference patterns appear as a function of the pumping frequency and the phase bias, and clearly manifest themselves in the pumped charge. We also show that the effects described should persist in the presence of realistic decoherence. PMID:22181761
Polar metals by geometric design
NASA Astrophysics Data System (ADS)
Kim, T. H.; Puggioni, D.; Yuan, Y.; Xie, L.; Zhou, H.; Campbell, N.; Ryan, P. J.; Choi, Y.; Kim, J.-W.; Patzner, J. R.; Ryu, S.; Podkaminer, J. P.; Irwin, J.; Ma, Y.; Fennie, C. J.; Rzchowski, M. S.; Pan, X. Q.; Gopalan, V.; Rondinelli, J. M.; Eom, C. B.
2016-05-01
Gauss’s law dictates that the net electric field inside a conductor in electrostatic equilibrium is zero by effective charge screening; free carriers within a metal eliminate internal dipoles that may arise owing to asymmetric charge distributions. Quantum physics supports this view, demonstrating that delocalized electrons make a static macroscopic polarization, an ill-defined quantity in metals—it is exceedingly unusual to find a polar metal that exhibits long-range ordered dipoles owing to cooperative atomic displacements aligned from dipolar interactions as in insulating phases. Here we describe the quantum mechanical design and experimental realization of room-temperature polar metals in thin-film ANiO3 perovskite nickelates using a strategy based on atomic-scale control of inversion-preserving (centric) displacements. We predict with ab initio calculations that cooperative polar A cation displacements are geometrically stabilized with a non-equilibrium amplitude and tilt pattern of the corner-connected NiO6 octahedra—the structural signatures of perovskites—owing to geometric constraints imposed by the underlying substrate. Heteroepitaxial thin-films grown on LaAlO3 (111) substrates fulfil the design principles. We achieve both a conducting polar monoclinic oxide that is inaccessible in compositionally identical films grown on (001) substrates, and observe a hidden, previously unreported, non-equilibrium structure in thin-film geometries. We expect that the geometric stabilization approach will provide novel avenues for realizing new multifunctional materials with unusual coexisting properties.
Using Multiple Bonding Strategies.
Larson, Thomas D
2015-01-01
There are many ways to bond to tooth structure, some micro-mechanical some chemical, some a combination. Different dentin bonding materials have different bonding strengths to differently prepared surfaces, and because of differences in their nature, different areas of tooth structure present peculiar bonding challenges. This paper will review a variety of material types, elucidating their particular bonding strengths and commenting on improved bonding strategies to increase durability, strength, and favorable pulpal response. In this discussion, resin dentin bonding systems, glass ionomers, Gluma, resin cements, and newer combined products will br reviewed. PMID:26485903
Geometric and Electronic Properties of Edge-decorated Graphene Nanoribbons
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
Geometric methods for the design of mechanisms
NASA Astrophysics Data System (ADS)
Stokes, Ann Westagard
1993-01-01
Challenges posed by the process of designing robotic mechanisms have provided a new impetus to research in the classical subjects of kinematics, elastic analysis, and multibody dynamics. Historically, mechanism designers have considered these areas of analysis to be generally separate and distinct sciences. However, there are significant classes of problems which require a combination of these methods to arrive at a satisfactory solution. For example, both the compliance and the inertia distribution strongly influence the performance of a robotic manipulator. In this thesis, geometric methods are applied to the analysis of mechanisms where kinematics, elasticity, and dynamics play fundamental and interactive roles. Tools for the mathematical analysis, design, and optimization of a class of holonomic and nonholonomic mechanisms are developed. Specific contributions of this thesis include a network theory for elasto-kinematic systems. The applicability of the network theory is demonstrated by employing it to calculate the optimal distribution of joint compliance in a serial manipulator. In addition, the advantage of applying Lie group theoretic approaches to mechanisms requiring specific dynamic properties is demonstrated by extending Brockett's product of exponentials formula to the domain of dynamics. Conditions for the design of manipulators having inertia matrices which are constant in joint angle coordinates are developed. Finally, analysis and design techniques are developed for a class of mechanisms which rectify oscillations into secular motions. These techniques are applied to the analysis of free-floating chains that can reorient themselves in zero angular momentum processes and to the analysis of rattleback tops.
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)…
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,…
Geometric nomenclature and classification of RNA base pairs.
Leontis, N B; Westhof, E
2001-01-01
Non-Watson-Crick base pairs mediate specific interactions responsible for RNA-RNA self-assembly and RNA-protein recognition. An unambiguous and descriptive nomenclature with well-defined and nonoverlapping parameters is needed to communicate concisely structural information about RNA base pairs. The definitions should reflect underlying molecular structures and interactions and, thus, facilitate automated annotation, classification, and comparison of new RNA structures. We propose a classification based on the observation that the planar edge-to-edge, hydrogen-bonding interactions between RNA bases involve one of three distinct edges: the Watson-Crick edge, the Hoogsteen edge, and the Sugar edge (which includes the 2'-OH and which has also been referred to as the Shallow-groove edge). Bases can interact in either of two orientations with respect to the glycosidic bonds, cis or trans relative to the hydrogen bonds. This gives rise to 12 basic geometric types with at least two H bonds connecting the bases. For each geometric type, the relative orientations of the strands can be easily deduced. High-resolution examples of 11 of the 12 geometries are presently available. Bifurcated pairs, in which a single exocyclic carbonyl or amino group of one base directly contacts the edge of a second base, and water-inserted pairs, in which single functional groups on each base interact directly, are intermediate between two of the standard geometries. The nomenclature facilitates the recognition of isosteric relationships among base pairs within each geometry, and thus facilitates the recognition of recurrent three-dimensional motifs from comparison of homologous sequences. Graphical conventions are proposed for displaying non-Watson-Crick interactions on a secondary structure diagram. The utility of the classification in homology modeling of RNA tertiary motifs is illustrated. PMID:11345429
Oxidative addition of the C-I bond on aluminum nanoclusters
NASA Astrophysics Data System (ADS)
Sengupta, Turbasu; Das, Susanta; Pal, Sourav
2015-07-01
sensitive to the geometrical shapes and electronic structures of the clusters rather than their size, imposing the fact that comprehensive studies on aluminum clusters can be beneficial for nanoscience and nanotechnology. To understand the possible reaction mechanism in detail, the reaction pathway is investigated with the ab initio Born Oppenheimer Molecular Dynamics (BOMD) simulation and the Natural Bond Orbital (NBO) analysis. In short, our theoretical study highlights the thermodynamic and kinetic details of C-I bond dissociation on aluminum clusters for future endeavors in cluster chemistry. Electronic supplementary information (ESI) available: Cartesian coordinates for the optimized structures and harmonic frequencies, sample IRC data and plot, grid data for three dimensional potential energy surface and contour plot and data for BOMD simulation. See DOI: 10.1039/c5nr02278a
29 CFR 2580.412-20 - Use of existing bonds, separate bonds and additional bonding.
Code of Federal Regulations, 2010 CFR
2010-07-01
... 29 Labor 9 2010-07-01 2010-07-01 false Use of existing bonds, separate bonds and additional..., separate bonds and additional bonding. (a) Additional bonding. Section 13 neither prevents additional... or separate bond. (b) Use of existing bonds. Insofar as a bond currently in use is adequate to...
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.
Chemically-bonded brick production based on burned clay by means of semidry pressing
NASA Astrophysics Data System (ADS)
Voroshilov, Ivan; Endzhievskaya, Irina; Vasilovskaya, Nina
2016-01-01
We presented a study on the possibility of using the burnt rocks of the Krasnoyarsk Territory for production of chemically-bonded materials in the form of bricks which are so widely used in multistory housing and private house construction. The radiographic analysis of the composition of burnt rock was conducted and a modifier to adjust the composition uniformity was identified. The mixing moisture content was identified and optimal amount at 13-15% was determined. The method of semidry pressing has been chosen. The process of obtaining moldings has been theoretically proved; the advantages of chemically-bonded wall materials compared to ceramic brick were shown. The production of efficient artificial stone based on material burnt rocks, which is comparable with conventionally effective ceramic materials or effective with cell tile was proved, the density of the burned clay-based cell tile makes up to 1630-1785 kg m3, with compressive strength of 13.6-20.0 MPa depending on the compression ratio and cement consumption, frost resistance index is F50, and the thermal conductivity in the masonry is λ = 0,459-0,546 W m * °C. The clear geometric dimensions of pressed products allow the use of the chemically-bonded brick based on burnt clay as a facing brick.
SQCD Vacua and Geometrical Engineering
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.
Geometric reasoning and spatial understanding
Binford, T.O.
1982-01-01
Progress has been made on extensions to ACRONYM which include: representation and reasoning with time, events, and sequences; collaboration with MIT to develop geometric learning: representation of function, and reasoning between structure and function. A new ribbon finder for ACRONYM is under construction. Work in figure/ground separation is underway as a basis for the ribbon finder. Preliminary results are shown in grouping operations to determine regularities in images. A stereo system has been completed which combines edge-based stereo matching with surface interpolation utilizing correspondence of gray levels. Design of a new stereo vision system is underway.
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.
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.
NPP VIIRS geometric performance status
NASA Astrophysics Data System (ADS)
Lin, Guoqing; Wolfe, Robert E.; Nishihama, Masahiro
2011-10-01
Visible Infrared Imager Radiometer Suite (VIIRS) instrument on-board the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP) satellite is scheduled for launch in October, 2011. It is to provide satellite measured radiance/reflectance data for both weather and climate applications. Along with radiometric calibration, geometric characterization and calibration of Sensor Data Records (SDRs) are crucial to the VIIRS Environmental Data Record (EDR) algorithms and products which are used in numerical weather prediction (NWP). The instrument geometric performance includes: 1) sensor (detector) spatial response, parameterized by the dynamic field of view (DFOV) in the scan direction and instantaneous FOV (IFOV) in the track direction, modulation transfer function (MTF) for the 17 moderate resolution bands (M-bands), and horizontal spatial resolution (HSR) for the five imagery bands (I-bands); 2) matrices of band-to-band co-registration (BBR) from the corresponding detectors in all band pairs; and 3) pointing knowledge and stability characteristics that includes scan plane tilt, scan rate and scan start position variations, and thermally induced variations in pointing with respect to orbital position. They have been calibrated and characterized through ground testing under ambient and thermal vacuum conditions, numerical modeling and analysis. This paper summarizes the results, which are in general compliance with specifications, along with anomaly investigations, and describes paths forward for characterizing on-orbit BBR and spatial response, and for improving instrument on-orbit performance in pointing and geolocation.
Measurement error in geometric morphometrics.
Fruciano, Carmelo
2016-06-01
Geometric morphometrics-a set of methods for the statistical analysis of shape once saluted as a revolutionary advancement in the analysis of morphology -is now mature and routinely used in ecology and evolution. However, a factor often disregarded in empirical studies is the presence and the extent of measurement error. This is potentially a very serious issue because random measurement error can inflate the amount of variance and, since many statistical analyses are based on the amount of "explained" relative to "residual" variance, can result in loss of statistical power. On the other hand, systematic bias can affect statistical analyses by biasing the results (i.e. variation due to bias is incorporated in the analysis and treated as biologically-meaningful variation). Here, I briefly review common sources of error in geometric morphometrics. I then review the most commonly used methods to measure and account for both random and non-random measurement error, providing a worked example using a real dataset. PMID:27038025
Geometrical deployment for braided stent.
Bouillot, Pierre; Brina, Olivier; Ouared, Rafik; Yilmaz, Hasan; Farhat, Mohamed; Erceg, Gorislav; Lovblad, Karl-Olof; Vargas, Maria Isabel; Kulcsar, Zsolt; Pereira, Vitor Mendes
2016-05-01
The prediction of flow diverter stent (FDS) implantation for the treatment of intracranial aneurysms (IAs) is being increasingly required for hemodynamic simulations and procedural planning. In this paper, a deployment model was developed based on geometrical properties of braided stents. The proposed mathematical description is first applied on idealized toroidal vessels demonstrating the stent shortening in curved vessels. It is subsequently generalized to patient specific vasculature predicting the position of the filaments along with the length and local porosity of the stent. In parallel, in-vitro and in-vivo FDS deployments were measured by contrast-enhanced cone beam CT (CBCT) in idealized and patient-specific geometries. These measurements showed a very good qualitative and quantitative agreement with the virtual deployments and provided experimental validations of the underlying geometrical assumptions. In particular, they highlighted the importance of the stent radius assessment in the accuracy of the deployment prediction. Thanks to its low computational cost, the proposed model is potentially implementable in clinical practice providing critical information for patient safety and treatment outcome assessment. PMID:26891065
Geometric pumping in autophoretic channels
NASA Astrophysics Data System (ADS)
Michelin, Sebastien; Montenegro Johnson, Thomas; de Canio, Gabriele; Lobatto-Dauzier, Nicolas; Lauga, Eric
2015-11-01
Pumping at the microscale has important applications from biological fluid handling to lab-on-a-chip systems. It can be achieved either from a global (e.g. imposed pressure gradient) or local forcing (e.g. ciliary pumping). Phoretic slip flows generated from concentration or temperature gradients are examples of such local flow forcing. Autophoresis is currently receiving much attention for the design of self-propelled particles achieving force- and torque-free locomotion by combining two essential surface properties: (i) an activity that modifies the solute content of the particle's environment (e.g. catalytic reaction or solute release), and (ii) a mobility that generates a slip flow from the resulting local concentration gradients. Recent work showed that geometric asymmetry is sufficient for a chemically-homogeneous particle to self-propel. Here we extend this idea to micro-pumping in active channels whose walls possess both chemical activity and phoretic mobility. Using a combination of theoretical analysis and numerical simulations, we show that geometrically-asymmetric but chemically-homogeneous channels can generate pumping and analyze the resulting flow patterns.
Geometrically constrained parasitic-aware synthesis of analog ICs
NASA Astrophysics Data System (ADS)
Castro-Lopez, Rafael; Fernandez, Francisco V.; Rodriguez Vazquez, Angel
2005-06-01
In order to speed up the design process of analog ICs, iterations between different design stages should be avoided as much as possible. More specifically, spins between electrical and physical synthesis should be reduced for this is a very time-consuming task: if circuit performance including layout-induced degradations proves unacceptable, a re-design cycle must be entered, and electrical, physical, or both synthesis processes, would have to be repeated. It is also worth noting that if geometric optimization (e.g., area minimization) is undertaken after electrical synthesis, it may add up as another source of unexpected degradation of the circuit performance due to the impact of the geometric variables (e.g., transistor folds) on the device and the routing parasitic values. This awkward scenario is caused by the complete separation of said electrical and physical synthesis, a design practice commonly followed so far. Parasitic-aware synthesis, consisting in including parasitic estimates to the circuit netlist directly during electrical synthesis, has been proposed as solution. While most of the reported contributions either tackle parasitic-aware synthesis without paying special attention to geometric optimization or approach both issues only partially, this paper addresses the problem in a unified way. In what has been called layout-aware electrical synthesis, a simulation-based optimization algorithm explores the design space with geometric variables constrained to meet certain user-defined goals, which provides reliable estimates of layout-induced parasitics at each iteration, and, thereby, accurate evaluation of the circuit ultimate performance. This technique, demonstrated here through several design examples, requires knowing layout details beforehand; to facilitate this, procedural layout generation is used as physical synthesis approach due to its rapidness and ability to capture analog layout know-how.
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.
Zhou, Pan-Pan; Qiu, Wen-Yuan
2009-09-24
Standard Watson-Crick adenine-thymine (AT) base pair has been investigated by using the B3LYP functional with 6-31G(d, p) basis set, at which level of theory the geometrical characteristics of the AT base pair are the best in agreement with the experiment. It exhibits simultaneously red-shifted N-H...O and N-H...N hydrogen bonds as well as a blue-shifted C-H...O contact. AIM analysis suggests that the blue-shifted C-H...O contact exists as van der Waals interaction, and the electron density rho that reflects the strength of a bond has been used to explain the red- and blue-shifted. By means of NBO analysis, we report a method to estimate the effect of hyperconjugation quantitatively, which combines the electron density in the X-H (X = N, C) sigma bonding orbital with that in the sigma* antibonding orbital. The effect of structural reorganization on the origins of the red- and blue-shifted has been considered by the partial optimization, its behavior on the X-H (X = N, C) bond is quite different. Rehybridization and repolarization models are employed, and they act as bond-shortening effects. The competition between the electrostatic attractions and Pauli/nucleus repulsions is present in the two typical red-shifted N-H...O and N-H...N hydrogen bonds as well as in the blue-shifted C-H...O van der Waals contact. Electrostatic attraction between H and Y atoms (Y = O, N) is an important reason for the red shift, while the nucleus-nucleus repulsion between H and O atoms may be a factor leading to the C-H bond contraction and its blue shift. The electric field effect induced by the acceptor O atom on the C-H bond is also discussed. PMID:19715282
Rapid adhesive bonding concepts
NASA Technical Reports Server (NTRS)
Stein, B. A.; Tyeryar, J. R.; Hodges, W. T.
1984-01-01
Adhesive bonding in the aerospace industry typically utilizes autoclaves or presses which have considerable thermal mass. As a consequence, the rates of heatup and cooldown of the bonded parts are limited and the total time and cost of the bonding process is often relatively high. Many of the adhesives themselves do not inherently require long processing times. Bonding could be performed rapidly if the heat was concentrated in the bond lines or at least in the adherends. Rapid adhesive bonding concepts were developed to utilize induction heating techniques to provide heat directly to the bond line and/or adherends without heating the entire structure, supports, and fixtures of a bonding assembly. Bonding times for specimens are cut by a factor of 10 to 100 compared to standard press bonding. The development of rapid adhesive bonding for lap shear specimens (per ASTM D1003 and D3163), for aerospace panel bonding, and for field repair needs of metallic and advanced fiber reinforced polymeric matrix composite structures are reviewed.
Point-process principal components analysis via geometric optimization.
Solo, Victor; Pasha, Syed Ahmed
2013-01-01
There has been a fast-growing demand for analysis tools for multivariate point-process data driven by work in neural coding and, more recently, high-frequency finance. Here we develop a true or exact (as opposed to one based on time binning) principal components analysis for preliminary processing of multivariate point processes. We provide a maximum likelihood estimator, an algorithm for maximization involving steepest ascent on two Stiefel manifolds, and novel constrained asymptotic analysis. The method is illustrated with a simulation and compared with a binning approach. PMID:23020106
Optimal Biofilm Featues: metabolic and geometric response to multiple oxidants
NASA Astrophysics Data System (ADS)
Kempes, C.; Okegbe, C.; Mears-Clarke, Z.; Follows, M. J.; Dietrich, L.
2014-12-01
An important challenge in understanding complex microbial mat communities is determining how groups of a single species balance metabolic requirements with the dynamics of resource supply. We have investigated this problem in the context of redox resources within a single-species bacterial biofilm. We developed a mathematical model of oxidant availability and metabolic response within biofilm features and we show that observed biofilm geometries maximize cellular reproduction and growth efficiency. Our model accurately predicts the measured distribution of two types of electron acceptors: oxygen, which is available from the environment, and phenazines, redox-active small molecules produced by the bacterium. Because our model is based on resource dynamics, we are also able to predict observed shifts in feature geometry based on changes in the availability of redox resources such as variations in the external availability of oxygen or the removal of phenazines. This analysis suggests various avenues for understanding microstructure and the evolution of spatial metabolism in microbial mats.
2012-01-01
A natural bond orbital (NBO) analysis of unpaired electron spin density in metalloproteins is presented, which allows a fast and robust calculation of paramagnetic NMR parameters. Approximately 90% of the unpaired electron spin density occupies metal–ligand NBOs, allowing the majority of the density to be modeled by only a few NBOs that reflect the chemical bonding environment. We show that the paramagnetic relaxation rate of protons can be calculated accurately using only the metal–ligand NBOs and that these rates are in good agreement with corresponding rates measured experimentally. This holds, in particular, for protons of ligand residues where the point-dipole approximation breaks down. To describe the paramagnetic relaxation of heavy nuclei, also the electron spin density in the local orbitals must be taken into account. Geometric distance restraints for 15N can be derived from the paramagnetic relaxation enhancement and the Fermi contact shift when local NBOs are included in the analysis. Thus, the NBO approach allows us to include experimental paramagnetic NMR parameters of 15N nuclei as restraints in a structure optimization protocol. We performed a molecular dynamics simulation and structure determination of oxidized rubredoxin using the experimentally obtained paramagnetic NMR parameters of 15N. The corresponding structures obtained are in good agreement with the crystal structure of rubredoxin. Thus, the NBO approach allows an accurate description of the geometric structure and the dynamics of metalloproteins, when NMR parameters are available of nuclei in the immediate vicinity of the metal-site. PMID:22329704