Optimizing the geometrical accuracy of curvilinear meshes
NASA Astrophysics Data System (ADS)
Toulorge, Thomas; Lambrechts, Jonathan; Remacle, Jean-FranÃ§ois
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.
Geometric entanglement in valance-bond-solid state
NASA Astrophysics Data System (ADS)
Cui, H. T.; Wang, C. M.; Yuan, S. Z.
2010-04-01
Multipartite entanglement, measured by the geometric entanglement (GE), is discussed for integer spin Valance-Bond-Solid (VBS) state respectively with periodic boundary condition (PBC) and open boundary condition (OBC) in this paper. The optimization in the definition of geometric entanglement can be reduced greatly by exploring the symmetry of VBS state, and then the fully separable state can be determined explicitly. Numerical evaluation for GE by the random simulation is also implemented in order to demonstrate the validity of the reductions. Our calculations show that GE is saturated by a finite value with the increment of particle number, that means that the total entanglement for VBS state would be divergent under the thermodynamic limit. Moreover it is found that the scaling behavior of GE with spin number s is fitted as ? log(s + ?/s + ?)+?, in which the values of the parameters ?, ?, ?, ? are only dependent on the parity of spin s. A comparison with entanglement entropy of VBS state is also made, in order to demonstrate the essential differences between multipartite and bipartite entanglement in this model.
Optimization of biotechnological systems through geometric programming
Marin-Sanguino, Alberto; Voit, Eberhard O; Gonzalez-Alcon, Carlos; Torres, Nestor V
2007-01-01
Background In the past, tasks of model based yield optimization in metabolic engineering were either approached with stoichiometric models or with structured nonlinear models such as S-systems or linear-logarithmic representations. These models stand out among most others, because they allow the optimization task to be converted into a linear program, for which efficient solution methods are widely available. For pathway models not in one of these formats, an Indirect Optimization Method (IOM) was developed where the original model is sequentially represented as an S-system model, optimized in this format with linear programming methods, reinterpreted in the initial model form, and further optimized as necessary. Results A new method is proposed for this task. We show here that the model format of a Generalized Mass Action (GMA) system may be optimized very efficiently with techniques of geometric programming. We briefly review the basics of GMA systems and of geometric programming, demonstrate how the latter may be applied to the former, and illustrate the combined method with a didactic problem and two examples based on models of real systems. The first is a relatively small yet representative model of the anaerobic fermentation pathway in S. cerevisiae, while the second describes the dynamics of the tryptophan operon in E. coli. Both models have previously been used for benchmarking purposes, thus facilitating comparisons with the proposed new method. In these comparisons, the geometric programming method was found to be equal or better than the earlier methods in terms of successful identification of optima and efficiency. Conclusion GMA systems are of importance, because they contain stoichiometric, mass action and S-systems as special cases, along with many other models. Furthermore, it was previously shown that algebraic equivalence transformations of variables are sufficient to convert virtually any types of dynamical models into the GMA form. Thus, efficient methods for optimizing GMA systems have multifold appeal. PMID:17897440
Minimizing stellarator turbulent transport by geometric optimization
NASA Astrophysics Data System (ADS)
Mynick, H. E.
2010-11-01
Up to now, a transport optimized stellarator has meant one optimized to minimize neoclassical transport,ootnotetextH.E. Mynick, Phys. Plasmas 13, 058102 (2006). while the task of also mitigating turbulent transport, usually the dominant transport channel in such designs, has not been addressed, due to the complexity of plasma turbulence in stellarators. However, with the advent of gyrokinetic codes valid for 3D geometries such as GENE,ootnotetextF. Jenko, W. Dorland, M. Kotschenreuther, B.N. Rogers, Phys. Plasmas 7, 1904 (2000). and stellarator optimization codes such as STELLOPT,ootnotetextA. Reiman, G. Fu, S. Hirshman, L. Ku, et al, Plasma Phys. Control. Fusion 41 B273 (1999). designing stellarators to also reduce turbulent transport has become a realistic possibility. We have been using GENE to characterize the dependence of turbulent transport on stellarator geometry,ootnotetextH.E Mynick, P.A. Xanthopoulos, A.H. Boozer, Phys.Plasmas 16 110702 (2009). and to identify key geometric quantities which control the transport level. From the information obtained from these GENE studies, we are developing proxy functions which approximate the level of turbulent transport one may expect in a machine of a given geometry, and have extended STELLOPT to use these in its cost function, obtaining stellarator configurations with turbulent transport levels substantially lower than those in the original designs.
Introduction to geometric processing through optimization.
Taubin, Gabriel
2012-01-01
As an introduction to the field, this article shows how to formulate several geometry-processing operations to solve systems of equations in the "least-squares" sense. The equations are derived from local geometric relations using elementary concepts from analytic geometry, such as points, lines, planes, vectors, and polygons. Simple and useful tools for interactive polygon mesh editing result from the most basic descent strategies to solve these optimization problems. Throughout the article, the author develops the mathematical formulations incrementally, keeping in mind that the objective is to implement simple software for interactive editing applications that works well in practice. Readers can implement higher-performance versions of these algorithms by replacing the simple solvers proposed here with more advanced ones. PMID:24806636
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.
Geometric properties of graph layouts optimized for greedy navigation.
Lee, Sang Hoon; Holme, Petter
2012-12-01
The graph layouts used for complex network studies have been mainly developed to improve visualization. If we interpret the layouts in metric spaces such as Euclidean ones, however, the embedded spatial information can be a valuable cue for various purposes. In this work, we focus on encoding useful navigational information to geometric coordinates of vertices of spatial graphs, which is a reverse problem of harnessing geometric information for better navigation. In other words, the coordinates of the vertices are a map of the topology, not the other way around. We use a recently developed user-centric navigation protocol to explore spatial layouts of complex networks that are optimal for navigation. These layouts are generated with a simple simulated annealing optimization technique. We compare these layouts to others targeted at better visualization and discuss the spatial statistical properties of the optimized layouts for better navigability and its implication. PMID:23368083
Geometrical parameters optimization for tube hydroforming using response surface method
NASA Astrophysics Data System (ADS)
Chebbah, M. S.; Azaouzi, M.
2014-10-01
In tube hydroforming (THF) the optimal thickness variation of a product is influenced by the geometrical, material and process parameters. In this study different values of initial tube length combined with various fillet and entry radii of the die are taken into account to predict an acceptable T-shaped tube of which the minimum wall thickness fulfills the industrial demand. To reach this goal, an integrated optimization approach, using the classical explicit dynamic (ED) incremental approach using ABAQUS® commercial code together with an optimization algorithm was developed. This latter consists in constructing an explicit form of the objective function by response surface methodology (RSM) based on diffuse approximation (DA) according to the design variables. To search the global optimum of the objective function, the sequential quadratic programming (SQP) algorithm has been used.
Geometrical optimization of helical flow in grooved micromixers†
Lynn, N. Scott; Dandy, David S.
2010-01-01
Owing to the enhancement of surface effects at the micro-scale, patterned grooves on a micro-channel floor remain a powerful method to induce helical flows within a pressure driven system. Although there have been a number of numerical studies on geometrical effects concerning fluid mixing within the staggered herringbone mixer, all have focused mainly on the groove angle and depth, two factors that contribute greatly to the magnitude of helical flow. Here we present a new geometrical factor that significantly affects the generation of helical flow over patterned grooves. By varying the ratio of the length of the grooves to the neighboring ridges, helical flow can be optimized for a given groove depth and channel aspect ratio, with up to 50% increases in transverse flow possible. A thorough numerical study of over 700 cases details the magnitude of helical flow over unsymmetrical patterned grooves in a slanted groove micro-mixer, where the optimized parameters for the slanted groove mixer can be translated to the staggered herringbone mixer. The optimized groove geometries are shown to have a large dependence on the channel aspect ratio, the groove depth ratio, and the ridge length. PMID:17476376
Comparison between first geometric-arithmetic index and atom-bond connectivity index
NASA Astrophysics Data System (ADS)
Das, Kinkar Ch.; TrinajstiÄ‡, N.
2010-09-01
The first geometric-arithmetic index ( GA) [1] and atom-bond connectivity index ( ABC) [2] that are recently introduced, are found to be useful tools in QSPR and QSAR studies. In this letter we compare the GA and ABC indices for chemical trees and molecular graphs. Moreover, we also compare these two indices for general graphs.
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...
Jamema, Swamidas V.; Saju, Sherly; Shetty, Umesh M.; Pallad, Siddanna; Deshpande, D. D.; Shrivastava, S. K.
2006-01-01
The purpose of this study is to compare geometric optimization (GO) with anatomy based inverse optimization (ABIO). Five patients of carcinoma prostate treated with HDR interstitial brachytherapy had been studied. Post implant CT scans of 5 mm slice thickness were obtained; target volume and other critical structures rectum, bladder and urethra were drawn by the clinician. Plans were obtained with geometric optimization and anatomy based inversed optimization. Anatomy based inverse planning implemented currently in PLATO BPS version 14.2, is based on geometric and dose point optimization and designed to account for the critical structures. Graphical optimization (GrO) is used to fine-tune the distribution ie to reduce the dose to critical structures and to improve the target coverage in both geometric optimization and anatomy based inverse optimization plans. DVH of target, rectum, bladder and urethra were evaluated and compared, dose homogeneity index and conformity index were also evaluated for all the plans. The mean target coverage was 93.9±7%, 90.3±4%, 82±13%, 91.6±3 for different optimization techniques GO, GO_gr, ABIO and ABIO_gr respectively. The target coverage in ABIO is not clinically acceptable. Maximum dose, dose to 2% of the volume of urethra D2%,U was 137±12%, 123.2±2%, 111.5±9, 122.7±4 for GO, GO_gr, ABIO and ABIO_gr respectively. The mean conformity index values were 0.71, 0.76, 0.65, 0.82 for GO, GO_gr, ABIO, ABIO_gr respectively. ABIO_gr has a good conformity over all other optimization techniques. However the difference is not very significant between GO and GO_gr. The mean values of DHI are 0.81, 0.77, 0.65 and 0.75 for GO, GO_gr, ABIO and ABIO_gr respectively. Geometric optimization is highly homogenous compared to all other optimization techniques. To conclude, target coverage in ABIO is not clinically acceptable. However ABIO followed by graphical optimization is much superior in sparing of critical structures and conformity compared to geometrical optimization. Target coverage is marginally better in GO compared to ABIO_gr. Homogeneity is superior in GO compared to ABIO_gr. However ABIO_gr plans were clinically acceptable with respect to homogeneity. Further, dose escalation to the target is possible with ABIO, without exceeding the tolerance dose to urethra. Clinical correlation of genitourinary toxicity has to be studied. PMID:21206671
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.
Kern, M; Neikes, M J; Strub, J R
1990-08-01
The tensile bond strengths of five different resinbonding-systems to a Co-Cr-alloy (Dentitan) are tested. The samples were stored in artificial saliva (37 degrees C) up to 150 days and thermocycled (5 degrees-55 degrees C, 18,750 cycles). In contrast to micromechanical bonding-systems, mechanical-chemical ones showed no significant changes in tensile bonding strength during this observation period. The tribochemical silicoating procedure (Rocatec) seems to be suitable for Co-Cr-alloys used in resin-bonded restorations. PMID:2269184
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.
Optimization of absorption placement using geometrical acoustic models and least squares.
Saksela, Kai; Botts, Jonathan; Savioja, Lauri
2015-04-01
Given a geometrical model of a space, the problem of optimally placing absorption in a space to match a desired impulse response is in general nonlinear. This has led some to use costly optimization procedures. This letter reformulates absorption assignment as a constrained linear least-squares problem. Regularized solutions result in direct distribution of absorption in the room and can accommodate multiple frequency bands, multiple sources and receivers, and constraints on geometrical placement of absorption. The method is demonstrated using a beam tracing model, resulting in the optimal absorption placement on the walls and ceiling of a classroom. PMID:25920877
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.
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 Thermo-electric Coolers Using Simulated Annealing
NASA Astrophysics Data System (ADS)
Khanh, D. V. K.; Vasant, P. M.; Elamvazuthi, I.; Dieu, V. N.
2015-09-01
The field of thermo-electric coolers (TECs) has grown drastically in recent years. In an extreme environment as thermal energy and gas drilling operations, TEC is an effective cooling mechanism for instrument. However, limitations such as the relatively low energy conversion efficiency and ability to dissipate only a limited amount of heat flux may seriously damage the lifetime and performance of the instrument. Until now, many researches were conducted to expand the efficiency of TECs. The material parameters are the most significant, but they are restricted by currently available materials and module fabricating technologies. Therefore, the main objective of finding the optimal TECs design is to define a set of design parameters. In this paper, a new method of optimizing the dimension of TECs using simulated annealing (SA), to maximize the rate of refrigeration (ROR) was proposed. Equality constraint and inequality constraint were taken into consideration. This work reveals that SA shows better performance than Cheng's work.
Multi-response Optimization of Geometrical Factors in Bi-layered Tube Hydroforming
NASA Astrophysics Data System (ADS)
Alaswad, A.; Olabi, A. G.; Benyounis, K. Y.
2011-01-01
In the last years many researchers were concentrating to develop and design new unconventional metal forming processes. Among such new technologies, tube hydroforming was proved as one of the most promising. Geometries of the tube and die were found to have significant effects on the hydroformed part. Based on the mathematical models, which describe the effect of the geometrical factors on bi-layered tube hydroforming, a multi-response optimization study was proposed in this paper with the aim to achieve different quality objectives for two different criteria. The optimal geometrical factors of bi-layered tube hydroforming combinations were tabulated and discussed.
Geometrical optimization of microstripe arrays for microbead magnetophoresis.
Henriksen, Anders Dahl; Rozlosnik, Noemi; Hansen, Mikkel Fougt
2015-09-01
Manipulation of magnetic beads plays an increasingly important role in molecular diagnostics. Magnetophoresis is a promising technique for selective transportation of magnetic beads in lab-on-a-chip systems. We investigate periodic arrays of exchange-biased permalloy microstripes fabricated using a single lithography step. Magnetic beads can be continuously moved across such arrays by combining the spatially periodic magnetic field from microstripes with a rotating external magnetic field. By measuring and modeling the magnetophoresis properties of thirteen different stripe designs, we study the effect of the stripe geometry on the magnetophoretic transport properties of the magnetic microbeads between the stripes. We show that a symmetric geometry with equal width of and spacing between the microstripes facilitates faster transportation and that the optimal period of the periodic stripe array is approximately three times the height of the bead center over the microstripes. PMID:26543515
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 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-?m diameter spheres. These promising results provide a motivation for prototype composite detector development based on the simulated designs.
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.
Optimization of bond transducer vibrations using active and semiactive control
NASA Astrophysics Data System (ADS)
Neubauer, Marcus; Brökelmann, Michael; Schwarzendahl, Sebastian M.; Hesse, Hans-J.; Wallaschek, Jörg
2012-04-01
In ultrasonic wire bonding the required vibrations are generated by an ultrasonic transducer driven in its longitudinal mode. Asymmetries lead to additional orthogonal motions, which result in unwanted fluctuating normal forces in the friction contact. In this publication, a novel design of an ultrasonic transducer with control actuators is presented. The parasitic vibrations are damped in an active control and by the semi-active piezoelectric shunt damping with inductance-resistance networks. A Finite-Element model is developed to optimize the dimensions and the placement of the piezoceramics and to tune the electrical networks. Measurements are conducted on a prototype transducer which validate the simulation results.
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.
NASA Astrophysics Data System (ADS)
Hiniduma Udugama Gamage, Sahan S.; Lasenby, Joan
2000-10-01
In this paper we discuss an alternative approach to optimal and near optimal tracking and estimation of rotations with applications in vision systems. The technique used here will be that of Geometric Algebra (GA) which provides a very elegant and efficient framework for dealing with geometric entities and transformations. It is coordinate-free and has associated with it a well-developed calculus and multi-linear algebra. Much of the power of GA lies in the way it represents and interprets rotations. Estimation and tracking of geometric entities are important in many fields -- e.g. 3D object tracking, multi-camera systems, space and terrestrial navigation etc., and to date Kalman filter techniques have provided a fast and efficient means of solving such problems. We will show how Kalman filters with conventional type state- spaces are derived in a GA setting and then extend these ideas to deal with a state-space consisting of rotors. Taking advantage of the fact that we are able to write down a minimally parameterized cost function and differentiate with respect to rotors in the GA framework, a solution to the tracking and optimal orientation estimation problem can be obtained efficiently. The resulting algorithm is applied to a variety of real and simulated data using articulated models. In particular, we will look at tracking human motion data from an optical motion capture unit. The extraction, interpolation, modification and classification of the underlying motion is also discussed with reference to future research directions.
Bhattacharyya, K.; Chattopadhyay, S.K.; Baral-Tosh, S.; Das, P.K.
1986-06-05
The singlet- and triplet-related photophysical properties of four trans-1,2-diarylethylenes, containing methyl, phenyl, 1-naphthyl, and 9-anthryl group as one substituent and 9-anthryl group as the other, have been studied by steady-state and time-correlated fluorescence measurements, laser flash photolysis, and pulse radiolysis. The results show pronounced effects of the photoexcitation-induced geometric distortion (about the anthryl-to-ethylene single bond) in rendering fluorescence and triplet-triplet absorption spectra broad and structureless, and in enhancing radiationless processes from singlets, triplets, and exciplexes (with N,N-dimethylaniline). The shortening of triplet lifetimes, and the triplet quenching behaviors toward ferrocene, di-tert-butylnitroxy radical, and oxygen, are also explainable in terms of the torsional relaxation; these effects are similar to, but less pronounced than, those arising from double bond twisting in smaller arylethylene triplets. No photophysical anomaly attributable to ground-state rotamerism is observed in fluid solutions.
Optimization of the blade trailing edge geometric parameters for a small scale ORC turbine
NASA Astrophysics Data System (ADS)
Zhang, L.; Zhuge, W. L.; Peng, J.; Liu, S. J.; Zhang, Y. J.
2013-12-01
In general, the method proposed by Whitfield and Baines is adopted for the turbine preliminary design. In this design procedure for the turbine blade trailing edge geometry, two assumptions (ideal gas and zero discharge swirl) and two experience values (WR and Î³) are used to get the three blade trailing edge geometric parameters: relative exit flow angle Î²6, the exit tip radius R6t and hub radius R6h for the purpose of maximizing the rotor total-to-static isentropic efficiency. The method above is established based on the experience and results of testing using air as working fluid, so it does not provide a mathematical optimal solution to instruct the optimization of geometry parameters and consider the real gas effects of the organic, working fluid which must be taken into consideration for the ORC turbine design procedure. In this paper, a new preliminary design and optimization method is established for the purpose of reducing the exit kinetic energy loss to improve the turbine efficiency Î·ts, and the blade trailing edge geometric parameters for a small scale ORC turbine with working fluid R123 are optimized based on this method. The mathematical optimal solution to minimize the exit kinetic energy is deduced, which can be used to design and optimize the exit shroud/hub radius and exit blade angle. And then, the influence of blade trailing edge geometric parameters on turbine efficiency Î·ts are analysed and the optimal working ranges of these parameters for the equations are recommended in consideration of working fluid R123. This method is used to modify an existing ORC turbine exit kinetic energy loss from 11.7% to 7%, which indicates the effectiveness of the method. However, the internal passage loss increases from 7.9% to 9.4%, so the only way to consider the influence of geometric parameters on internal passage loss is to give the empirical ranges of these parameters, such as the recommended ranges that the value of Î³ is at 0.3 to 0.4, and the value of Ï„ is at 0.5 to 0.6.
Optimization of the Geometric Phase Sensitivity of an Array of Atom Ring Interferometers
NASA Astrophysics Data System (ADS)
Sandoval-Sanchez, Karina; Campo, Christian; Rivera, Tabitha; Toland, John
2015-05-01
Sagnac, and Aharonov-Bohm phase shifts are important geometric phase shifts in atom interferometry. These phase shifts characterize rotational and magnetic field interference effects respectively. Theoretical explorations have shown that a series of ring interferometers can be connected in series to increase the sensitivity of the overall device while keeping the maximum path separation less than the coherence length of the atoms. It has also been shown that the application of an area chirp to the rings will further enhance the sensitivity of the array of rings to geometric phase shifts. Area chirp refers to characterizing all of the rings in the array to a fixed percentage of a reference ring, this allows for the phase shifts in each ring to be characterized by one ring. The goal of this project is to determine a set of parameters namely kL, the product of the ring circumference and the wave number and ?, the chirp factor for the area chirp, that optimize the geometric phase sensitivity for an array of N rings. We model the transmission coefficient of a quantum matter wave through an area chirped array of interferometers as a function of phase, using transfer matrices to represent the transmission and reflection of individual rings in the array. Isolated transmission resonances represent the domain of interest, these are regions of high phase sensitivity. After optimizing a ring array without loss we apply velocity broadening to the input matter waves to investigate a more realistic output.
Geometrical shape optimization of a cold neutron source using artificial intelligence strategies
Azmy, Y.Y.
1989-01-01
A new approach is developed for optimizing the geometrical shape of a cold neutron source to maximize its cold neutron outward leakage. An analogy is drawn between the shape optimization problem and a state space search, which is the fundamental problem in Artificial Intelligence applications. The new optimization concept is implemented in the computer code DAIT in which the physical model is represented by a two group, r-z geometry nodal diffusion method, and the state space search is conducted via the Nearest Neighbor algorithm. The accuracy of the nodal diffusion method solution is established on meshes of interest, and is shown to behave qualitatively the same as transport theory solutions. The dependence of the optimum shape and its value on several physical and search parameters is examined via numerical experimentation. 10 refs., 6 figs., 2 tabs.
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)
He, Qizhi; Kang, Zhan; Wang, Yiqiang
2014-09-01
Based on the element-free Galerkin (EFG) method, an analysis-independent density variable approach is proposed for topology optimization of geometrically nonlinear structures. This method eliminates the mesh distortion problem often encountered in the finite element analysis of large deformations. The topology optimization problem is formulated on the basis of point-wise description of the material density field. This density field is constructed by a physical meaning-preserving interpolation with the density values of the design variable points, which can be freely positioned independently of the field points used in the displacement analysis. An energy criterion of convergence is used to resolve the well-known convergence difficulty, which would be usually encountered in low density regions, where displacements oscillate severely during the optimization process. Numerical examples are given to demonstrate the effectiveness of the developed approach. It is shown that relatively clear optimal solutions can be achieved, without exhibiting numerical instabilities like the so-called "layering" or "islanding" phenomena even in large deformation cases. This study not only confirms the potential of the EFG method in topology optimization involving large deformations, but also provides a novel topology optimization framework based on element-free discretization of displacement and density fields, which can also easily incorporate other meshless analysis methods for specific purposes.
Geometrical optimization of sensors for eddy currents nondestructive testing and evaluation
Thollon, F.; Burais, N.
1995-05-01
Design of Non Destructive Testing (NDT) and Non Destructive Evaluation (NDE) sensors is possible by solving Maxwell`s relations with FEM or BIM. But the large number of geometrical and electrical parameters of sensor and tested material implies many results that don`t give necessarily a well adapted sensor. The authors have used a genetic algorithm for automatic optimization. After having tested this algorithm with analytical solution of Maxwell`s relations for cladding thickness measurement, the method has been implemented in finite element package.
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 EGOâ€“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 EGOâ€“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 EGOâ€“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.
Mestrovic, Ante . E-mail: amestrovic@bccancer.bc.ca; Clark, Brenda G.
2005-11-01
Purpose: To develop a method of predicting the values of dose distribution parameters of different radiosurgery techniques for treatment of arteriovenous malformation (AVM) based on internal geometric parameters. Methods and Materials: For each of 18 previously treated AVM patients, four treatment plans were created: circular collimator arcs, dynamic conformal arcs, fixed conformal fields, and intensity-modulated radiosurgery. An algorithm was developed to characterize the target and critical structure shape complexity and the position of the critical structures with respect to the target. Multiple regression was employed to establish the correlation between the internal geometric parameters and the dose distribution for different treatment techniques. The results from the model were applied to predict the dosimetric outcomes of different radiosurgery techniques and select the optimal radiosurgery technique for a number of AVM patients. Results: Several internal geometric parameters showing statistically significant correlation (p < 0.05) with the treatment planning results for each technique were identified. The target volume and the average minimum distance between the target and the critical structures were the most effective predictors for normal tissue dose distribution. The structure overlap volume with the target and the mean distance between the target and the critical structure were the most effective predictors for critical structure dose distribution. The predicted values of dose distribution parameters of different radiosurgery techniques were in close agreement with the original data. Conclusions: A statistical model has been described that successfully predicts the values of dose distribution parameters of different radiosurgery techniques and may be used to predetermine the optimal technique on a patient-to-patient basis.
Coogan, Sean C P; Raubenheimer, David; Stenhouse, Gordon B; Nielsen, Scott E
2014-01-01
Nutrient balance is a strong determinant of animal fitness and demography. It is therefore important to understand how the compositions of available foods relate to required balance of nutrients and habitat suitability for animals in the wild. These relationships are, however, complex, particularly for omnivores that often need to compose balanced diets by combining their intake from diverse nutritionally complementary foods. Here we apply geometric models to understand how the nutritional compositions of foods available to an omnivorous member of the order Carnivora, the grizzly bear (Ursus arctos L.), relate to optimal macronutrient intake, and assess the seasonal nutritional constraints on the study population in west-central Alberta, Canada. The models examined the proportion of macronutrients that bears could consume by mixing their diet from food available in each season, and assessed the extent to which bears could consume the ratio of protein to non-protein energy previously demonstrated using captive bears to optimize mass gain. We found that non-selective feeding on ungulate carcasses provided a non-optimal macronutrient balance with surplus protein relative to fat and carbohydrate, reflecting adaptation to an omnivorous lifestyle, and that optimization through feeding selectively on different tissues of ungulate carcasses is unlikely. Bears were, however, able to dilute protein intake to an optimal ratio by mixing their otherwise high-protein diet with carbohydrate-rich fruit. Some individual food items were close to optimally balanced in protein to non-protein energy (e.g. Hedysarum alpinum roots), which may help explain their dietary prevalence. Ants may be consumed particularly as a source of lipids. Overall, our analysis showed that most food available to bears in the study area were high in protein relative to lipid or carbohydrate, suggesting the lack of non-protein energy limits the fitness (e.g. body size and reproduction) and population density of grizzly bears in this ecosystem. PMID:24841821
Coogan, Sean C. P.; Raubenheimer, David; Stenhouse, Gordon B.; Nielsen, Scott E.
2014-01-01
Nutrient balance is a strong determinant of animal fitness and demography. It is therefore important to understand how the compositions of available foods relate to required balance of nutrients and habitat suitability for animals in the wild. These relationships are, however, complex, particularly for omnivores that often need to compose balanced diets by combining their intake from diverse nutritionally complementary foods. Here we apply geometric models to understand how the nutritional compositions of foods available to an omnivorous member of the order Carnivora, the grizzly bear (Ursus arctos L.), relate to optimal macronutrient intake, and assess the seasonal nutritional constraints on the study population in west-central Alberta, Canada. The models examined the proportion of macronutrients that bears could consume by mixing their diet from food available in each season, and assessed the extent to which bears could consume the ratio of protein to non-protein energy previously demonstrated using captive bears to optimize mass gain. We found that non-selective feeding on ungulate carcasses provided a non-optimal macronutrient balance with surplus protein relative to fat and carbohydrate, reflecting adaptation to an omnivorous lifestyle, and that optimization through feeding selectively on different tissues of ungulate carcasses is unlikely. Bears were, however, able to dilute protein intake to an optimal ratio by mixing their otherwise high-protein diet with carbohydrate-rich fruit. Some individual food items were close to optimally balanced in protein to non-protein energy (e.g. Hedysarum alpinum roots), which may help explain their dietary prevalence. Ants may be consumed particularly as a source of lipids. Overall, our analysis showed that most food available to bears in the study area were high in protein relative to lipid or carbohydrate, suggesting the lack of non-protein energy limits the fitness (e.g. body size and reproduction) and population density of grizzly bears in this ecosystem. PMID:24841821
NASA Astrophysics Data System (ADS)
Haase, Claudia; Götze, Hans-Jürgen
2014-05-01
We present a new method for automated geometric modifications of potential field models. Computational developments and the increasing amount of available potential field data, especially gradient data from the satellite missions, lead to increasingly complex models and integrated modelling tools. Editing of these models becomes more difficult. Our approach presents an optimization tool that is designed to modify vertex-based model geometries (e.g. polygons, polyhedrons, triangulated surfaces) by applying spatial operators to the model that use an adaptive, on-the-fly model discretization. These operators deform the existing model via vertex-dragging, aiming at a minimized misfit between measured and modelled potential field anomaly. The parameters that define the operators are subject to an optimization process. This kind of parametrization provides a means for the reduction of unknowns (dimensionality of the search space), allows a variety of possible modifications and ensures that geometries are not destroyed by crossing polygon lines or punctured planes. We implemented a particle swarm optimization as a global searcher with restart option for the task of finding optimal operator parameters. This approach provides us with an ensemble of model solutions that allows a selection and geologically reasonable interpretations. The applicability of the tool is demonstrated in two 2D case studies that provide models of different extent and with different objectives. The first model is a synthetic salt structure in a horizontally layered background model. Expected geometry modifications are considerably small and localized and the initial models contain rather little information on the intended salt structure. A large scale example is given in the second study. Here, the optimization is applied to a sedimentary basin model that is based on seismic interpretation. With the aim to evaluate the seismically derived model, large scale operators are applied that mainly cause depth adjustments to the model horizons.
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.
On the geometrical and mechanical multi-aspect optimization of PPy/MWCNT actuators
NASA Astrophysics Data System (ADS)
Khalili, Nazanin; Naguib, Hani E.; Kwon, Roy H.
2014-03-01
Polypyrrole (PPy) conducting polymers as one of the most well-known actuation materials have shown numerous applications in a variety of fields such as biomedical devices as well as biomimetic robotics. This study investigates the multiobjective optimization of a PPy/MWCNTs actuator through an electrochemomechanical model. The multilayer actuator is composed of a PVDF layer, as the core membrane and an electrolyte reservoir, as well as two one layer of a conjugated polymer and one layer of multiwalled carbon nanotubes deposited on each side of the PVDF layer. In order to obtain the optimum values for each decision variable (i.e., geometrical and electrochemical), the two main outputs of the bending actuator, the tip displacement and blocking force, have been mathematically modeled and formulated as the objective functions. A multiobjective optimization algorithm is applied to simultaneously maximize the blocking force and tip displacement generated by the actuator. Furthermore, a range for each design variable is defined within which none of the objective functions of the film-type actuator dominates the other one while they are both kept within an acceptable range. The results obtained from the mathematical model are experimentally verified. Moreover, in order to determine the performance of the fabricated actuator, its outputs are compared with their counterparts of a neat PPy actuator.
Geometrical Optimization Of Clinch Forming Process Using The Response Surface Method
NASA Astrophysics Data System (ADS)
Oudjene, M.; Ben-Ayed, L.; Batoz, J.-L.
2007-05-01
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.
Geometric Construction of Eighth-Order Optimal Families of Ostrowski's Method
Motsa, S. S.
2015-01-01
Based on well-known fourth-order Ostrowski's method, we proposed many new interesting optimal families of eighth-order multipoint methods without memory for obtaining simple roots. Its geometric construction consists in approximating f n? at zn in such a way that its average with the known tangent slopes f n? at xn and yn is the same as the known weighted average of secant slopes and then we apply weight function approach. The adaptation of this strategy increases the convergence order of Ostrowski's method from four to eight and its efficiency index from 1.587 to 1.682. Finally, a number of numerical examples are also proposed to illustrate their accuracy by comparing them with the new existing optimal eighth-order methods available in the literature. It is found that they are very useful in high precision computations. Further, it is also noted that larger basins of attraction belong to our methods although the other methods are slow and have darker basins while some of the methods are too sensitive upon the choice of the initial value. PMID:25884035
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.
Optimization of the Geometric Beta for the SSR2 Cavities of the Project X
Solyak, N.; Vostrikov, A.; Yakovlev, V.P.; Awida, M.H.; Berrutti, P.; Gonin, I.V.; /Fermilab
2012-05-01
Project X based on the 3 GeV CW superconducting Linac and is currently in the R&D phase. The CW SC Linac starts from a low-energy SCRF section (2.1 - 165 MeV) containing three different types of resonators. HWR f = 162.5 MHz (2.1 - 11 MeV) having beta= 0.11, SSR1 f = 325 MHz (11 - 35 MeV) having beta = 0.21. In this paper we present the analysis that lead to the final design of SSR2 f = 325 MHz cavity (35 - 165 MeV). We present the results of optimization of the geometric beta and the comparison between single, double and triple spoke resonators used in Project X frontend. A {beta} optimization has been carried out for the last spoke cavity section of Project X front end. The optimization process of {beta}{sub opt} for a single spoke resonator family SSR2 shown that {beta}{sub opt} = 0.47 looks better than the previous choice, which is {beta}{sub opt} = 0.4. This change can save some cavities and provide the same final energy for this section, 160 MeV. Single double and triple spoke resonator performances have been compared. The best option is the single spoke resonator SSR2 because the NTTF of a multi-spoke resonator is much narrower than a single one. In the energy range considered (40-160 MeV) the most efficient resonator is the single spoke one.
Galbraith; Schreiner; Harris; Wei; Wittkopp; Shaik
2000-04-14
The Bergman cyclization of (Z)-hex-3-ene-1,5-diynes (1, enediynes), which produces pharmacologically important DNA-cleaving biradicals (1,4-benzyne, 2), was studied by using Hartree-Fock (HF) and density-functional theory (DFT) based valence bond (VB) methods (VB-HF and VB-DFT, respectively). We found that only three VB configurations are needed to arrive at results not too far from complete active space [CASSCF(6 x 6)] computations, while the quality of VB-DTF utilizing the same three configurations improves upon CASSCF(6 x 6) analogous to CASPT2. The dominant VB configuration in 1 contributes little to 2, while the most important biradical configuration in 2 plays a negligible role in 1. The avoided crossing of the energy curves of these two configurations along the reaction coordinate leads to the transition state (TS). As a consequence of the shape and position of the crossing section, the changes in geometry and in the electronic wavefunction along the reaction coordinate are non-synchronous; the TS is geometrically approximately 80% product-like and electronically approximately 70% reactant-like. While the pi resonance in the TS is very small, it is large (64.4 kcal mol(-1)) for 2 (cf. benzene=61.5 kcal mol(-1)). As a consequence, substituents operating on the sigma electrons should be much more effective in changing the Bergman reaction cyclization barrier. Furthermore, additional sigma resonance in 2 results in unusually high values for the nucleus-independent chemical shift (NICS, a direct measure for aromaticity). Similarly, the high NICS value of the TS is due mostly to sigma resonance to which the NICS procedure is relatively sensitive. PMID:10840967
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.
Process optimization for diffusion bonding of tungsten with EUROFER97 using a vanadium interlayer
NASA Astrophysics Data System (ADS)
Basuki, Widodo Widjaja; Aktaa, Jarir
2015-04-01
Solid-state diffusion bonding is a selected joining technology to bond divertor components consisting of tungsten and EUROFER97 for application in fusion power plants. Due to the large mismatch in their coefficient of thermal expansions, which leads to serious thermally induced residual stresses after bonding, a thin vanadium plate is introduced as an interlayer. However, the diffusion of carbon originated from EUROFER97 in the vanadium interlayer during the bonding process can form a vanadium carbide layer, which has detrimental influences on the mechanical properties of the joint. For optimal bonding results, the thickness of this layer and the residual stresses has to be decreased sufficiently without a significant reduction of material transport especially at the vanadium/tungsten interface, which can be achieved by varying the diffusion bonding temperature and duration. The investigation results show that at a sufficiently low bonding temperature of 700 °C and a bonding duration of 4 h, the joint reaches a reasonable high ductility and toughness especially at elevated test temperature of 550 °C with elongation to fracture of 20% and mean absorbed Charpy impact energy of 2 J (using miniaturized Charpy impact specimens). The strength of the bonded materials is about 332 MPa at RT and 291 MPa at 550 °C. Furthermore, a low bonding temperature of 700 °C can also help to avoid the grain coarsening and the alteration of the grain structure especially of the EUROFER97 close to the bond interface.
NASA Astrophysics Data System (ADS)
Paul, Bijan Kumar; Guchhait, Nikhil
2013-02-01
Density functional theory based computational study has been performed to characterize intramolecular hydrogen bonding (IMHB) interaction in a series of salicylic acid derivatives varying in chlorine substitution on the benzene ring. The molecular systems studied are salicylic acid, 5-chlorosalicylic acid, 3,5-dichlorosalicylic acid and 3,5,6-tricholorosalicylic acid. Major emphasis is rendered on the analysis of IMHB interaction by calculation of electron density ?(r) and Laplacian ?2?(r) at the bond critical point using atoms-in-molecule theory. Topological features, energy densities based on ?(r) through perturbing the intramolecular H-bond distances suggest that at equilibrium geometry the IMHB interaction develops certain characteristics typical of covalent interaction. The interplay between aromaticity and resonance-assisted hydrogen bonding (RAHB) is discussed using both geometrical and magnetic criteria as the descriptors of aromaticity. The optimized geometry features, molecular electrostatic potential map analysis are also found to produce a consensus view in relation with the formation of RAHB in these systems.
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.
Inter- and intra-chain disulfide bond prediction based on optimal feature selection.
Niu, Shen; Huang, Tao; Feng, Kai-Yan; He, Zhisong; Cui, Weiren; Gu, Lei; Li, Haipeng; Cai, Yu-Dong; Li, Yixue
2013-03-01
Protein disulfide bond is formed during post-translational modifications, and has been implicated in various physiological and pathological processes. Proper localization of disulfide bonds also facilitates the prediction of protein three-dimensional (3D) structure. However, it is both time-consuming and labor-intensive using conventional experimental approaches to determine disulfide bonds, especially for large-scale data sets. Since there are also some limitations for disulfide bond prediction based on 3D structure features, developing sequence-based, convenient and fast-speed computational methods for both inter- and intra-chain disulfide bond prediction is necessary. In this study, we developed a computational method for both types of disulfide bond prediction based on maximum relevance and minimum redundancy (mRMR) method followed by incremental feature selection (IFS), with nearest neighbor algorithm as its prediction model. Features of sequence conservation, residual disorder, and amino acid factor are used for inter-chain disulfide bond prediction. And in addition to these features, sequential distance between a pair of cysteines is also used for intra-chain disulfide bond prediction. Our approach achieves a prediction accuracy of 0.8702 for inter-chain disulfide bond prediction using 128 features and 0.9219 for intra-chain disulfide bond prediction using 261 features. Analysis of optimal feature set indicated key features and key sites for the disulfide bond formation. Interestingly, comparison of top features between interand intra-chain disulfide bonds revealed the similarities and differences of the mechanisms of forming these two types of disulfide bonds, which might help understand more of the mechanisms and provide clues to further experimental studies in this research field. PMID:22591475
Isaev, L; Rey, A M
2015-10-16
We analyze a microscopic mechanism behind the coexistence of a heavy Fermi liquid and geometric frustration in Kondo lattices. We consider a geometrically frustrated periodic Anderson model and demonstrate how orbital fluctuations lead to a Kondo-screened phase in the limit of extreme strong frustration when only local singlet states participate in the low-energy physics. We also propose a setup to realize and study this exotic state with SU(3)-symmetric alkaline-earth cold atoms. PMID:26550882
NASA Astrophysics Data System (ADS)
Isaev, L.; Rey, A. M.
2015-10-01
We analyze a microscopic mechanism behind the coexistence of a heavy Fermi liquid and geometric frustration in Kondo lattices. We consider a geometrically frustrated periodic Anderson model and demonstrate how orbital fluctuations lead to a Kondo-screened phase in the limit of extreme strong frustration when only local singlet states participate in the low-energy physics. We also propose a setup to realize and study this exotic state with S U (3 ) -symmetric alkaline-earth cold atoms.
NASA Astrophysics Data System (ADS)
Khusainov, M. A.; Popov, S. A.; Malukhina, O. A.
2015-08-01
A technique is developed to determine the force of impact of a spherical segment on an obstacle (dynamometer) during the martensite ? austenite phase transition. An impact on an obstacle is shown to occur at certain ratios of the geometric parameters of a segment. A model is constructed for the dependence of the impact force on key parameters D/R and h/R, and a separating function is obtained to divide spherical segments into the segments that flick with an impact on an obstacle and the segments that restore their shape without a clap and, correspondingly, an impact. A procedure is proposed to calculate the geometric parameters of a spherical segment ( D, h, R) at a given impact force P imp and to determine the impact force from the geometric parameters of a segment.
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.
Semi-empirical method for calculating optimal geometric parameters of the Darrieus rotor
NASA Astrophysics Data System (ADS)
Gorelov, D. N.
2015-05-01
Available experimental data on aerodynamics of the Darrieus rotor with straight blades are analyzed. Ranges of the main parameters of the rotor at which it has high energy characteristics and is able to start its motion independently and to rotate uniformly around its vertical axis are found. Based on these results, a method for calculating the geometric parameters of the rotor satisfying prescribed conditions of its exploitation is developed.
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 680Î¼W while the highest number of windings generated highest voltage output of 0.16V.
E–H Bond Activation of Ammonia and Water by a Geometrically Constrained Phosphorus(III) Compound
Robinson, Thomas P; De Rosa, Daniel M; Aldridge, Simon; Goicoechea, Jose M
2015-01-01
The synthesis of a phosphorus(III) compound bearing a N,N-bis(3,5-di-tert-butyl-2-phenoxy)amide ligand is reported. This species has been found to react with ammonia and water, activating the E–H bonds in both substrates by formal oxidative addition to afford the corresponding phosphorus(V) compounds. In the case of water, both O–H bonds can be activated, splitting the molecule into its constituent elements. To our knowledge, this is the first example of a compound based on main group elements that sequentially activates water in this manner. PMID:26404498
NASA Astrophysics Data System (ADS)
Archer, Cristina; Ghaisas, Niranjan
2015-04-01
The energy generation at a wind farm is controlled primarily by the average wind speed at hub height. However, two other factors impact wind farm performance: 1) the layout of the wind turbines, in terms of spacing between turbines along and across the prevailing wind direction; staggering or aligning consecutive rows; angles between rows, columns, and prevailing wind direction); and 2) atmospheric stability, which is a measure of whether vertical motion is enhanced (unstable), suppressed (stable), or neither (neutral). Studying both factors and their complex interplay with Large-Eddy Simulation (LES) is a valid approach because it produces high-resolution, 3D, turbulent fields, such as wind velocity, temperature, and momentum and heat fluxes, and it properly accounts for the interactions between wind turbine blades and the surrounding atmospheric and near-surface properties. However, LES are computationally expensive and simulating all the possible combinations of wind directions, atmospheric stabilities, and turbine layouts to identify the optimal wind farm configuration is practically unfeasible today. A new, geometry-based method is proposed that is computationally inexpensive and that combines simple geometric quantities with a minimal number of LES simulations to identify the optimal wind turbine layout, taking into account not only the actual frequency distribution of wind directions (i.e., wind rose) at the site of interest, but also atmospheric stability. The geometry-based method is calibrated with LES of the Lillgrund wind farm conducted with the Software for Offshore/onshore Wind Farm Applications (SOWFA), based on the open-access OpenFOAM libraries. The geometric quantities that offer the best correlations (>0.93) with the LES results are the blockage ratio, defined as the fraction of the swept area of a wind turbine that is blocked by an upstream turbine, and the blockage distance, the weighted distance from a given turbine to all upstream turbines that can potentially block it. Based on blockage ratio and distance, an optimization procedure is proposed that explores many different layout variables and identifies, given actual wind direction and stability distributions, the optimal wind farm layout, i.e., the one with the highest wind energy production. The optimization procedure is applied to both the calibration wind farm (Lillgrund) and a test wind farm (Horns Rev) and a number of layouts more efficient than the existing ones are identified. The optimization procedure based on geometric models proposed here can be applied very quickly (within a few hours) to any proposed wind farm, once enough information on wind direction frequency and, if available, atmospheric stability frequency has been gathered and once the number of turbines and/or the areal extent of the wind farm have been identified.
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 studies was carried out which show that the algorithm is able to maintain robustness in the mesh movement and flow analysis in the presence of large shape changes, an important requirement for performing exploratory optimizations aiming to discover novel configurations and for multidisciplinary optimization. Additionally, the algorithm is able to find incremental improvements when given well-designed initial planar and nonplanar geometries. A comparison of Euler-based and RANS-based optimizations highlights the importance of considering viscous and turbulent effects. A multi-point optimization demonstrates that the algorithm is able to address practical aerodynamic design problems.
NASA Astrophysics Data System (ADS)
Guo, Xu; Zhang, Weisheng; Zhong, Wenliang
2014-05-01
In the present work, a new computational framework for structural topology optimization based on the concept of moving deformable components is proposed. Compared with the traditional pixel or node point-based solution framework, the proposed solution paradigm can incorporate more geometry and mechanical information into topology optimization directly and therefore render the solution process more flexible. It also has the great potential to reduce the computational burden associated with topology optimization substantially. Some representative examples are presented to illustrate the effectiveness of the proposed approach.
NASA Astrophysics Data System (ADS)
Kita, Yukiumi; Kamikubo, Hironari; Kataoka, Mikio; Tachikawa, Masanori
2013-06-01
To theoretically analyze the nuclear quantum effects of protons on two hydrogen bonds around the chromophore (CRO) in the photoactive yellow protein (PYP), we have calculated simple cluster model consisting of CRO, Glu46, and Tyr42 residues in PYP with the multi-component molecular orbital method and multi-component density functional theory, which can take account of quantum fluctuations of light mass particles. The average OO distances between CRO and Glu46 and between CRO and Tyr42 with our methods are shorter than the corresponding equilibrium ones, while the OH distances become longer due to the anharmonicity of the potential. The H/D geometrical isotope effect is also found, that is, the distances between oxygen atoms are elongated by the deuterium substitution, known as Ubbelohde effect.
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
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
A Single-Lap Joint Adhesive Bonding Optimization Method Using Gradient and Genetic Algorithms
NASA Technical Reports Server (NTRS)
Smeltzer, Stanley S., III; Finckenor, Jeffrey L.
1999-01-01
A natural process for any engineer, scientist, educator, etc. is to seek the most efficient method for accomplishing a given task. In the case of structural design, an area that has a significant impact on the structural efficiency is joint design. Unless the structure is machined from a solid block of material, the individual components which compose the overall structure must be joined together. The method for joining a structure varies depending on the applied loads, material, assembly and disassembly requirements, service life, environment, etc. Using both metallic and fiber reinforced plastic materials limits the user to two methods or a combination of these methods for joining the components into one structure. The first is mechanical fastening and the second is adhesive bonding. Mechanical fastening is by far the most popular joining technique; however, in terms of structural efficiency, adhesive bonding provides a superior joint since the load is distributed uniformly across the joint. The purpose of this paper is to develop a method for optimizing single-lap joint adhesive bonded structures using both gradient and genetic algorithms and comparing the solution process for each method. The goal of the single-lap joint optimization is to find the most efficient structure that meets the imposed requirements while still remaining as lightweight, economical, and reliable as possible. For the single-lap joint, an optimum joint is determined by minimizing the weight of the overall joint based on constraints from adhesive strengths as well as empirically derived rules. The analytical solution of the sin-le-lap joint is determined using the classical Goland-Reissner technique for case 2 type adhesive joints. Joint weight minimization is achieved using a commercially available routine, Design Optimization Tool (DOT), for the gradient solution while an author developed method is used for the genetic algorithm solution. Results illustrate the critical design variables as a function of adhesive properties and convergences of different joints based on the two optimization methods.
Uncoiling Mechanics of Escherichia coli Type I Fimbriae Are Optimized for Catch Bonds
Forero, Manu; Yakovenko, Olga; Sokurenko, Evgeni V; Thomas, Wendy E; Vogel, Viola
2006-01-01
We determined whether the molecular structures through which force is applied to receptor–ligand pairs are tuned to optimize cell adhesion under flow. The adhesive tethers of our model system, Escherichia coli, are type I fimbriae, which are anchored to the outer membrane of most E. coli strains. They consist of a fimbrial rod (0.3–1.5 ?m in length) built from a helically coiled structural subunit, FimA, and an adhesive subunit, FimH, incorporated at the fimbrial tip. Previously reported data suggest that FimH binds to mannosylated ligands on the surfaces of host cells via catch bonds that are enhanced by the shear-originated tensile force. To understand whether the mechanical properties of the fimbrial rod regulate the stability of the FimH–mannose bond, we pulled the fimbriae via a mannosylated tip of an atomic force microscope. Individual fimbriae rapidly elongate for up to 10 ?m at forces above 60 pN and rapidly contract again at forces below 25 pN. At intermediate forces, fimbriae change length more slowly, and discrete 5.0 ± 0.3–nm changes in length can be observed, consistent with uncoiling and coiling of the helical quaternary structure of one FimA subunit at a time. The force range at which fimbriae are relatively stable in length is the same as the optimal force range at which FimH–mannose bonds are longest lived. Higher or lower forces, which cause shorter bond lifetimes, cause rapid length changes in the fimbria that help maintain force at the optimal range for sustaining the FimH–mannose interaction. The modulation of force and the rate at which it is transmitted from the bacterial cell to the adhesive catch bond present a novel physiological role for the fimbrial rod in bacterial host cell adhesion. This suggests that the mechanical properties of the fimbrial shaft have codeveloped to optimize the stability of the terminal adhesive under flow. PMID:16933977
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.
Zhang, Xiaofei; Lu, Ran; Jia, Junhui; Liu, Xingliang; Xue, Pengchong; Xu, Defang; Zhou, Huipeng
2010-11-28
Rigid boomerang shaped triphenylamine functionalized bis-?-diketone-boron difluoride without alkyl chain and H-bonding unit exhibits good gelation ability in some mixed organic solvents directed by optimally balanced ?-? interactions. PMID:20936245
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 andâ€¦
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…
Optimization of the geometrical shape of the aperture in holographic data storage system
NASA Astrophysics Data System (ADS)
Gu, Huarong; Yin, Songfeng; Tan, Qiaofeng; Cao, Liangcai; He, Qingsheng; Jin, Guofan
2008-03-01
A cross-shaped aperture is proposed for the Holographic Data Storage System (HDSS). Based on the non-symmetric HDSS model, numerical simulations are carried out to compare the sensitivity to pixel shift, magnification error and noise level of the cross-shaped aperture with the ordinary square aperture. The simulation results show that equivalent or lower bit error rate can be achieved with the optimized cross-shaped aperture than that with the square aperture, while the area of the cross-shaped aperture is 20 percent less than the corresponding square aperture. Thereby the multiplexing spacing can be reduced and the areal density can be increased in HDSS. Experimental results of the performances of the cross-shaped aperture from a custom-built HDSS are presented.
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.
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
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.
Rachev, Alexander; Greenwald, Stephen; Shazly, Tarek
2013-08-01
It is well-documented that the geometrical dimensions, the longitudinal stretch ratio in situ, certain structural mechanical descriptors such as compliance and pressure-diameter moduli, as well as the mass fractions of structural constituents, vary along the length of the descending aorta. The origins of and possible interrelations among these observed variations remain open questions. The central premise of this study is that having considered the variation of the deformed inner diameter, axial stretch ratio, and area compliance along the aorta to be governed by the systemic requirements for flow distribution and reduction of cardiac preload, the zero-stress state geometry and mass fractions of the basic structural constituents of aortic tissue meet a principle of optimal mechanical operation. The principle manifests as a uniform distribution of the circumferential stress in the aortic wall that ensures effective bearing of the physiological load and a favorable mechanical environment for mechanosensitive vascular smooth muscle cells. A mathematical model is proposed and inverse boundary value problems are solved for the equations that follow from finite elasticity, structure-based constitutive modeling within constrained mixture theory, and stress-induced control of aortic homeostasis, mediated by the synthetic activity of vascular smooth muscle cells. Published experimental data are used to illustrate the predictive power of the proposed model. The results obtained are in agreement with published experimental data and support the proposed principle of optimal mechanical operation for the descending aorta. PMID:23722287
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.
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.
Processing parameter optimization for the laser dressing of bronze-bonded diamond wheels
NASA Astrophysics Data System (ADS)
Deng, H.; Chen, G. Y.; Zhou, C.; Li, S. C.; Zhang, M. J.
2014-01-01
In this paper, a pulsed fiber-laser dressing method for bronze-bonded diamond wheels was studied systematically and comprehensively. The mechanisms for the laser dressing of bronze-bonded diamond wheels were theoretically analyzed, and the key processing parameters that determine the results of laser dressing, including the laser power density, pulse overlap ratio, ablation track line overlap ratio, and number of scanning cycles, were proposed for the first time. Further, the effects of these four key parameters on the oxidation-damaged layer of the material surface, the material removal efficiency, the material surface roughness, and the average protrusion height of the diamond grains were explored and summarized through pulsed laser ablation experiments. Under the current experimental conditions, the ideal values of the laser power density, pulse overlap ratio, ablation track line overlap ratio, and number of scanning cycles were determined to be 4.2 × 107 W/cm2, 30%, 30%, and 16, respectively. Pulsed laser dressing experiments were conducted on bronze-bonded diamond wheels using the optimized processing parameters; next, both the normal and tangential grinding forces produced by the dressed grinding wheel were measured while grinding alumina ceramic materials. The results revealed that the normal and tangential grinding forces produced by the laser-dressed grinding wheel during grinding were smaller than those of grinding wheels dressed using the conventional mechanical method, indicating that the pulsed laser dressing technology provides irreplaceable advantages relative to the conventional mechanical dressing method.
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 (?ME,r) than traditional FeCuNbSiB/PZT laminate. And compared with the Metglas-PZT-Metglas heterostructure, the FPF heterostructure has stronger ME responses for the excellent magnetic characteristics of FeCuNbSiB. In experiments, the FPF heterostructure is optimal designed through adjusting the thickness of PZT plate (tp) and the length of FeCuNbSiB foil (L). The results demonstrate that the maximum ?ME,r of 662.1 (V/cm Oe) is observed at 13 Oe DC bias magnetic field when L = 15 mm and tp = 0.6 mm. Based on the giant ME coupling, the DC magnetic field sensitivity for the optimized FPF heterostructure is 3.89 nT at resonant frequency. These results are very promising for the cheap room-temperature magnetic field sensing technology. PMID:25430140
Methodology for optimal configuration in structural health monitoring of composite bonded joints
NASA Astrophysics Data System (ADS)
Quaegebeur, N.; Micheau, P.; Masson, P.; Castaings, M.
2012-10-01
In this study, a structural health monitoring (SHM) strategy is proposed in order to detect disbonds in a composite lap-joint. The structure under study is composed of a carbon fiber reinforced polymer (CFRP) bonded to a titanium plate and artificial disbonds are simulated by inserting Teflon tapes of various dimensions within the joint. In situ inspection is ensured by piezoceramics bonded to the structure to generate and measure guided waves. Theoretical propagation and through-thickness stress distribution are first studied in order to determine damage sensitivity with respect to the mode and frequency of the generated guided wave. The optimal configuration of the system in terms of piezoceramic size, shape and inter-unit spacing is then validated using finite element modeling (FEM) in 3D. Experimental assessment of propagation characteristics is conducted using laser Doppler vibrometer (LDV) in order to justify theoretical and numerical assumptions and pitch-catch measurements are then performed to validate the efficient detection of the damage and accurate estimation of its size.
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.
How to optimize a C bond H cleavage with a mononuclear copper-dioxygen adduct?
NASA Astrophysics Data System (ADS)
Lande, A. De La; Gérard, H.; Parisel, O.
We here report the investigations on the role of the charge transfer (CT) from copper toward dioxygen on the activation barrier of the C bond H bond breaking in a model [Cu(trenCH3)(O2)]+ adduct. By playing on the donating capability of the trenCH3 ligand, by means of a supplementary pseudopotential applied on the apical nitrogen atom, the existence of an optimum CT to achieve the rupture of the C bond H bond is revealed. When considering the dioxygen/superoxide/peroxide range in its whole, it appears that both dioxygen- and peroxide-type complexes are poor oxidant toward the C bond H bond. At variance, superoxide dominant complexes are confirmed to be better suited for a reactive purpose.
Dias, Francilena Maria Campos Santos; Pinzan-Vercelino, CÃ©lia Regina Maio; Tavares, Rudys Rodolfo de Jesus; Gurgel, JÃºlio de AraÃºjo; Bramante, Fausto Silva; Fialho, Melissa Nogueira ProenÃ§a
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
NASA Astrophysics Data System (ADS)
Shestakov, A. F.; Denisov, E. T.; Emel'Yanova, N. S.; Denisova, T. G.
2009-03-01
The energy and geometry of the transition state in reactions of the ethyl peroxyl radical with ethane, ethanol (its ? and ? C-H bonds), acetone, butanone-2, and acetaldehyde were calculated by the density functional theory method. In all these reactions (except EtO2/• + ethanol ? C-H bond), the C…H…O reaction center has an almost linear configuration (? = 176° ± 2°); polar interaction only influences the r ? (C…O) interatomic bond. In the reaction of EtO2/• with the ethanol ? C-H bond, it is the O-H…O H-bond formed in the transition state that determines the configuration of the reaction center with the angle ?(C…H…O) = 160°. The results were used to estimate the r ? (C…H) and r ? (O…H) interatomic bonds in the transition state by the method of intersecting parabolas and the contribution of polar interaction to the activation energy of reactions between peroxyl radicals and aldehydes and ketones.
NASA Astrophysics Data System (ADS)
Luo, Wen; Feng, Yiyu; Qin, Chengqun; Li, Man; Li, Shipei; Cao, Chen; Long, Peng; Liu, Enzuo; Hu, Wenping; Yoshino, Katsumi; Feng, Wei
2015-10-01
An important method for establishing a high-energy, stable and recycled molecular solar heat system is by designing and preparing novel photo-isomerizable molecules with a high enthalpy and a long thermal life by controlling molecular interactions. A meta- and ortho-bis-substituted azobenzene chromophore (AZO) is covalently grafted onto reduced graphene oxide (RGO) for solar thermal storage materials. High grafting degree and close-packed molecules enable intermolecular hydrogen bonds (H-bonds) for both trans-(E) and cis-(Z) isomers of AZO on the surface of nanosheets, resulting in a dramatic increase in enthalpy and lifetime. The metastable Z-form of AZO on RGO is thermally stabilized with a half-life of 52 days by steric hindrance and intermolecular H-bonds calculated using density functional theory (DFT). The AZO-RGO fuel shows a high storage capacity of 138 Wh kg-1 by optimizing intermolecular H-bonds with a good cycling stability for 50 cycles induced by visible light at 520 nm. Our work opens up a new method for making advanced molecular solar thermal storage materials by tuning molecular interactions on a nano-template.An important method for establishing a high-energy, stable and recycled molecular solar heat system is by designing and preparing novel photo-isomerizable molecules with a high enthalpy and a long thermal life by controlling molecular interactions. A meta- and ortho-bis-substituted azobenzene chromophore (AZO) is covalently grafted onto reduced graphene oxide (RGO) for solar thermal storage materials. High grafting degree and close-packed molecules enable intermolecular hydrogen bonds (H-bonds) for both trans-(E) and cis-(Z) isomers of AZO on the surface of nanosheets, resulting in a dramatic increase in enthalpy and lifetime. The metastable Z-form of AZO on RGO is thermally stabilized with a half-life of 52 days by steric hindrance and intermolecular H-bonds calculated using density functional theory (DFT). The AZO-RGO fuel shows a high storage capacity of 138 Wh kg-1 by optimizing intermolecular H-bonds with a good cycling stability for 50 cycles induced by visible light at 520 nm. Our work opens up a new method for making advanced molecular solar thermal storage materials by tuning molecular interactions on a nano-template. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03558a
Shen, Yuyi; Yanagimachi, Kurt
2011-01-01
The inclined multiplate (lamella) gravity settler has proven to be an effective cell retention device in industrial perfusion cell culture applications. Investigations on the effects of geometric design and operational variables of the cell settler are crucial to understanding how to best improve the settler performance. Maximizing the harvest/perfusion flow rate while minimizing viable cell loss out of the harvest is the primary challenge for optimization of the settler design. This study demonstrated that computational fluid dynamics (CFD) can be utilized to accurately model and evaluate the settler separation performance for near-monodisperse suspensions and therefore aid in the design optimization of the settler under these baseline conditions. With the preferred geometric features that were identified from CFD modeling results, we proposed design guidelines for the scale-up of these multiplate settler systems. With these guidelines and performance verification using the CFD model, a new large-scale settler was designed and fabricated for a perfusion cell culture process using a minimally aggregating production cell line. Perfusion cell culture runs with this particular cell line were performed with this settler, and the CFD model was able to predict the initial ramp-up performance, proving it to be a valuable scale-up design tool for this production process. PMID:21618723
NASA Astrophysics Data System (ADS)
Yoon, Yoonjin
There has been growing interest in air transportation community to develop a routing decision model based on probabilistic characterization of severe weather. In the probabilistic air traffic management (PATM), decisions are made based on the stochastic weather information in the expected total cost sense. Probabilistic approach aims to enhance routing flexibility and reduce the risks associated with uncertainty of the future weather. In this research, a geometric model is adopted to generate optimal route choice when the future weather is stochastic. The geometric recourse model (GRM) is a strategic PATM model that incorporates route hedging and en-route recourse options to respond to weather change. Hedged routes are routes other than the nominal or detour route, and aircraft is re-routed to fly direct to the destination, which is called recourse, when the weather restricted airspace become flyable. Aircraft takes either the first recourse or the second recourse: The first recourse occurs when weather clears before aircraft reaches it flying on the initial route. The second recourse occurs when the aircraft is at the weather region. There are two variations of GRM: Single Recourse Model (SRM) with first recourse only and Dual Recourse Model (DRM) with both the first and second recourse options. When the weather clearance time follows a uniform distribution, SRM becomes convex with optimal route being either the detour or a hedged route. The DRM has a special property when the maximum storm duration time is less than the flight time to the tip of the storm on the detour route: it is always optimal to take the nominal route. The performance study is conducted by measuring the cost saving from either SRM or DRM. The result shows that there are cases with substantial cost saving, reaching nearly 30% with DRM. The ground-airborne hybrid model is an extension of the GRM, where both ground holding as well as route hedging are considered. The optimal combination of ground delay and route choice is determined by weather characteristics as well as the ground-airborne cost ratio. The numerical analysis reveals that whenever ground delay is required, the optimal route choice is the nominal one, while a non-nominal route is optimal when the ground delay is zero. There exists a unique critical cost ratio associated with given weather condition, which determines whether ground holding is optimal or not.
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
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 several ways, and will likely become reality in the near future. PMID:23953737
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 MgO to Al2O3 ratio in the mix, the amount of pre-reacted spinel and the silica fume used significantly influence the porosity, the bulk density and the cold modulus of rupture. Corrosion resistance measurement in highly ferritic basic slag was conducted through rotary slag testing. The erosion resistance are improved by adding 5% of AR78. Adding 5% MR66 is beneficial for the penetration resistance, however, AR90 is not appropriate for MgO-Al2O 3 castable. The microstructural characteristics of corroded MgO-Al2O 3 castable have been analyzed. Three different layers, a slag layer, a penetrated layer and an unattacked layer are distinguishable in the castable. The microstructural analyses showed that both MgO and MA capture FeO from slag to form solid solutions. (Abstract shortened by UMI.)
Insect kinin analogs with cis-peptide bond motif 4-aminopyroglutamate: Optimal stereochemistry
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...
NASA Astrophysics Data System (ADS)
MuÃ±oz, P.; Pastor, D.; Capmany, J.; MartÃnez, A.
2003-09-01
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.
Extremal Optimization for Ground States of the Sherrington-Kirkpatrick Spin Glass with Levy Bonds
NASA Astrophysics Data System (ADS)
Boettcher, Stefan
Ground states of Ising spin glasses on fully connected graphs are studied for a broadly distributed bond family. In particular, bonds J distributed according to a Levy distribution P(J) / 1/|J|1+Î±; |J| > 1; are investigated for a range of powers Î±. We determine ground state energy density variation with Î± and their finite-size corrections. We find that the energies attain universally the Parisi-energy of the SK as long as the second moment of P (J) exists (Î± > 2). They compare favorably with recent one-step replica symmetry breaking predictions well below Î± = 2. At and just below Î± = 2, the simulations deviate significantly from theoretical expectations. The finite-size investigation reveals that the corrections exponent Ï‰ decays from the putative SK value Ï‰SK = = 2/3 already well above Î± = 2, at which point it reaches a minimum.
Chen, Lin; Yu, Chao; Zhou, Xiangshan; Zhang, Yuanxing
2009-12-01
Alpha-dextranase, which can hydrolyze dextran, is largely used in the sugar industry. However, a thermostable alpha- dextranase is needed to alleviate the viscosity of syrups and clean blocked machines. Thus, to improve the optimal temperature of Lipomyces starkeyi alpha-dextranase expressed by Pichia pastoris, the rational introduction of a de novo designed disulfide bond was investigated. Based on the known structure of Penicillium minioluteum dextranase, L. starkeyi alpha-dextranase was constructed using homology modeling. Four amino acids residues were then selected for site-directed mutagenesis to cysteine. When compared with the wildtype dextranase, the mutant DexM2 (D279C/S289C) showed a more than 13oC improvement on its optimal temperature. DexM2 and DexM12 (T245C/N248C, D279C/S289C) also showed a better thermal stability than the wild-type dextranase. After the introduction of two disulfide bonds, the specific activity of DexM12 was evaluated and found to be two times higher than that of the wild-type. Moreover, DexM12 also showed the highest Vmax. PMID:20075611
Niethammer, Marc; Hart, Gabriel L.; Pace, Danielle F.; Vespa, Paul M.; Irimia, Andrei; Van Horn, John D.; Aylward, Stephen R.
2013-01-01
Standard image registration methods do not account for changes in image appearance. Hence, metamorphosis approaches have been developed which jointly estimate a space deformation and a change in image appearance to construct a spatio-temporal trajectory smoothly transforming a source to a target image. For standard metamorphosis, geometric changes are not explicitly modeled. We propose a geometric metamorphosis formulation, which explains changes in image appearance by a global deformation, a deformation of a geometric model, and an image composition model. This work is motivated by the clinical challenge of predicting the long-term effects of traumatic brain injuries based on time-series images. This work is also applicable to the quantification of tumor progression (e.g., estimating its infiltrating and displacing components) and predicting chronic blood perfusion changes after stroke. We demonstrate the utility of the method using simulated data as well as scans from a clinical traumatic brain injury patient. PMID:21995083
Niethammer, Marc; Hart, Gabriel L; Pace, Danielle F; Vespa, Paul M; Irimia, Andrei; Van Horn, John D; Aylward, Stephen R
2011-01-01
Standard image registration methods do not account for changes in image appearance. Hence, metamorphosis approaches have been developed which jointly estimate a space deformation and a change in image appearance to construct a spatio-temporal trajectory smoothly transforming a source to a target image. For standard metamorphosis, geometric changes are not explicitly modeled. We propose a geometric metamorphosis formulation, which explains changes in image appearance by a global deformation, a deformation of a geometric model, and an image composition model. This work is motivated by the clinical challenge of predicting the long-term effects of traumatic brain injuries based on time-series images. This work is also applicable to the quantification of tumor progression (e.g., estimating its infiltrating and displacing components) and predicting chronic blood perfusion changes after stroke. We demonstrate the utility of the method using simulated data as well as scans from a clinical traumatic brain injury patient. PMID:21995083
NASA Astrophysics Data System (ADS)
Stamoulis, Konstantinos; Tsau, Christine H.; Spearing, S. Mark
2005-01-01
Wafer-level, thermocompression bonding is a promising technique for MEMS packaging. The quality of the bond is critically dependent on the interaction between flatness deviations, the gold film properties and the process parameters and tooling used to achieve the bonds. The effect of flatness deviations on the resulting bond is investigated in the current work. The strain energy release rate associated with the elastic deformation required to overcome wafer bow is calculated. A contact yield criterion is used to examine the pressure and temperature conditions required to flatten surface roughness asperities in order to achieve bonding over the full apparent area. The results are compared to experimental data of bond yield and toughness obtained from four-point bend delamination testing and microscopic observations of the fractured surfaces. Conclusions from the modeling and experiments indicate that wafer bow has negligible effect on determining the variability of bond quality and that the well-bonded area is increased with increasing bonding pressure. The enhanced understanding of the underlying deformation mechanisms allows for a better controlled trade-off between the bonding pressure and temperature.
NASA Astrophysics Data System (ADS)
Stamoulis, Konstantinos; Tsau, Christine H.; Spearing, S. Mark
2004-12-01
Wafer-level, thermocompression bonding is a promising technique for MEMS packaging. The quality of the bond is critically dependent on the interaction between flatness deviations, the gold film properties and the process parameters and tooling used to achieve the bonds. The effect of flatness deviations on the resulting bond is investigated in the current work. The strain energy release rate associated with the elastic deformation required to overcome wafer bow is calculated. A contact yield criterion is used to examine the pressure and temperature conditions required to flatten surface roughness asperities in order to achieve bonding over the full apparent area. The results are compared to experimental data of bond yield and toughness obtained from four-point bend delamination testing and microscopic observations of the fractured surfaces. Conclusions from the modeling and experiments indicate that wafer bow has negligible effect on determining the variability of bond quality and that the well-bonded area is increased with increasing bonding pressure. The enhanced understanding of the underlying deformation mechanisms allows for a better controlled trade-off between the bonding pressure and temperature.
NASA Astrophysics Data System (ADS)
Williamson, R. L.; Rabin, B. H.; Drake, J. T.
1993-07-01
An elastic FEM numerical model for simulating residual stresses at graded ceramic-metal interfaces during cooling, which accounts for the effect of plasticity, was developed and used to investigate residual stresses at ceramic-metal graded and nongraded interfaces in Al2O3-Ni system. Specimen geometries were designed to provide information related to joining, coating, and thick-film applications. The results demonstrate the importance of accounting for plasticity when comparing graded and nongraded interfaces. It is shown that, in some cases, optimization of the microstructure is required to achieve reductions in certain critical stress components believed to be important for controlling interface failure. Using the new model, interface conditions favorable for achieving residual stress reduction were identified by investigating the effects of different interlayer thickness and nonlinear composition profiles on strain and stress distributions established during cooling from an assumed elevated bonding temperature.
Belogolova, Elena F; Sidorkin, Valery F
2013-06-27
Silatranes XSi(OCH2CH2)3N exhibit a good linear relationship between their experimental and calculated (IGLO and GIAO) values of the NMR chemical shifts of (15)N, Î´N, and the lengths of dative bonds Siâ†N, dSiN, determined in the gas phase (ED, CCSD), solutions (COSMO PBE0, B3PW91), and crystals (X-ray). An aggregate of the obtained data provides strong evidence that the gas-phase value of dSiN in MeSi(OCH2CH2)3N should be greater by âˆ¼0.05 Ã… than that determined in the electron diffraction (ED) experiment (2.45 Ã…). Given this condition, a long-standing contradiction between the data of the structural (X-ray, ED) and NMR (15)N experiments for the molecules of 1-methyl- and 1-fluorosilatrane regarding the sensitivity of their coordination contact Siâ†N to the medium effect is resolved. PMID:23777391
NASA Technical Reports Server (NTRS)
Coe, P. L., Jr.; Huffman, J. K.
1979-01-01
An investigation conducted in the Langley 7 by 10 foot tunnel to determine the influence of an optimized leading-edge deflection on the low speed aerodynamic performance of a configuration with a low aspect ratio, highly swept wing. The sensitivity of the lateral stability derivative to geometric anhedral was also studied. The optimized leading edge deflection was developed by aligning the leading edge with the incoming flow along the entire span. Owing to spanwise variation of unwash, the resulting optimized leading edge was a smooth, continuously warped surface for which the deflection varied from 16 deg at the side of body to 50 deg at the wing tip. For the particular configuration studied, levels of leading-edge suction on the order of 90 percent were achieved. The results of tests conducted to determine the sensitivity of the lateral stability derivative to geometric anhedral indicate values which are in reasonable agreement with estimates provided by simple vortex-lattice theories.
NASA Astrophysics Data System (ADS)
Abrikosov, A. A.; Gozzi, E.; Mauro, D.
2005-05-01
Dequantization is a set of rules which turn quantum mechanics (QM) into classical mechanics (CM). It is not the WKB limit of QM. In this paper we show that, by extending time to a 3-dimensional "supertime," we can dequantize the system in the sense of turning the Feynman path integral version of QM into the functional counterpart of the Koopman-von Neumann operatorial approach to CM. Somehow this procedure is the inverse of geometric quantization and we present it in three different polarizations: the Schrödinger, the momentum and the coherent states ones.
Abrikosov, A.A. . E-mail: persik@itep.ru; Gozzi, E. . E-mail: gozzi@ts.infn.it; Mauro, D. . E-mail: mauro@ts.infn.it
2005-05-01
Dequantization is a set of rules which turn quantum mechanics (QM) into classical mechanics (CM). It is not the WKB limit of QM. In this paper we show that, by extending time to a 3-dimensional 'supertime,' we can dequantize the system in the sense of turning the Feynman path integral version of QM into the functional counterpart of the Koopman-von Neumann operatorial approach to CM. Somehow this procedure is the inverse of geometric quantization and we present it in three different polarizations: the Schroedinger, the momentum and the coherent states ones.
Wang, Feng; Graetz, Jason; Moreno, M Sergio; Ma, Chao; Wu, Lijun; Volkov, Vyacheslav; Zhu, Yimei
2011-02-22
Direct mapping of the lithium spatial distribution and the chemical state provides critical information on structure-correlated lithium transport in electrode materials for lithium batteries. Nevertheless, probing lithium, the lightest solid element in the periodic table, poses an extreme challenge with traditional X-ray or electron scattering techniques due to its weak scattering power and vulnerability to radiation damage. Here, we report nanoscale maps of the lithium spatial distribution in electrochemically lithiated graphite using electron energy loss spectroscopy in the transmission electron microscope under optimized experimental conditions. The electronic structure of the discharged graphite was obtained from the near-edge fine structure of the Li and C K-edges and ab initio calculations. A 2.7 eV chemical shift of the Li K-edge, along with changes in the density of states, reveals the ionic nature of the intercalated lithium with significant charge transfer to the graphene sheets. Direct mapping of lithium in graphite revealed nanoscale inhomogeneities (nonstoichiometric regions), which are correlated with local phase separation and structural disorder (i.e., lattice distortion and dislocations) as observed by high-resolution transmission electron microscopy. The surface solid-electrolyte interphase (SEI) layer was also imaged and determined to have a thickness of 10-50 nm, covering both edge and basal planes with LiF as its primary inorganic component. The Li K-edge spectroscopy and mapping, combined with electron microscopy-based structural analysis provide a comprehensive view of the structure-correlated lithium intercalation in graphite and of the formation of the SEI layer. PMID:21218844
Wang, Feng; Graetz, Jason; Moreno, M. Sergio; Ma, Chao; Wu, Lijun; Volkov, Vyacheslav; Zhu, Yimei
2011-01-10
Direct mapping of the lithium spatial distribution and the chemical state provides critical information on structure-correlated lithium transport in electrode materials for lithium batteries. Nevertheless, probing lithium, the lightest solid element in the periodic table, poses an extreme challenge with traditional X-ray or electron scattering techniques due to its weak scattering power and vulnerability to radiation damage. Here, we report nanoscale maps of the lithium spatial distribution in electrochemically lithiated graphite using electron energy loss spectroscopy in the transmission electron microscope under optimized experimental conditions. The electronic structure of the discharged graphite was obtained from the near-edge fine structure of the Li and C K-edges and ab initio calculations. A 2.7 eV chemical shift of the Li K-edge, along with changes in the density of states, reveals the ionic nature of the intercalated lithium with significant charge transfer to the graphene sheets. Direct mapping of lithium in graphite revealed nanoscale inhomogeneities (nonstoichiometric regions), which are correlated with local phase separation and structural disorder (i.e., lattice distortion and dislocations) as observed by high-resolution transmission electron microscopy. The surface solid-electrolyte interphase (SEI) layer was also imaged and determined to have a thickness of 10-50 nm, covering both edge and basal planes with LiF as its primary inorganic component. The Li K-edge spectroscopy and mapping, combined with electron microscopy-based structural analysis provide a comprehensive view of the structure-correlated lithium intercalation in graphite and of the formation of the SEI layer.
Zhu, Y.; Wang, F.; Graetz, J.; Moreno, M.S.; Ma, C.; Wu, L.; Volkov, V.
2011-02-01
Direct mapping of the lithium spatial distribution and the chemical state provides critical information on structure-correlated lithium transport in electrode materials for lithium batteries. Nevertheless, probing lithium, the lightest solid element in the periodic table, poses an extreme challenge with traditional X-ray or electron scattering techniques due to its weak scattering power and vulnerability to radiation damage. Here, we report nanoscale maps of the lithium spatial distribution in electrochemically lithiated graphite using electron energy loss spectroscopy in the transmission electron microscope under optimized experimental conditions. The electronic structure of the discharged graphite was obtained from the near-edge fine structure of the Li and C K-edges and ab initio calculations. A 2.7 eV chemical shift of the Li K-edge, along with changes in the density of states, reveals the ionic nature of the intercalated lithium with significant charge transfer to the graphene sheets. Direct mapping of lithium in graphite revealed nanoscale inhomogeneities (nonstoichiometric regions), which are correlated with local phase separation and structural disorder (i.e., lattice distortion and dislocations) as observed by high-resolution transmission electron microscopy. The surface solid-electrolyte interphase (SEI) layer was also imaged and determined to have a thickness of 10-50 nm, covering both edge and basal planes with LiF as its primary inorganic component. The Li K-edge spectroscopy and mapping, combined with electron microscopy-based structural analysis provide a comprehensive view of the structure-correlated lithium intercalation in graphite and of the formation of the SEI layer.
Lin, Qisheng; Vetter, Jordan; Corbett, John D
2013-06-01
Sr3Au8Sn3 was synthesized through fusion of a stoichiometric amount of pure metals at 800 Â°C and annealing treatments at lower temperatures. Single-crystal X-ray diffraction analyses revealed that Sr3Au8Sn3 has a La3Al11-type Immm structure (a = 4.6767(8) Ã…, b = 9.646(2) Ã…, c = 14.170(2) Ã…, Z = 2) if annealed at 550 Â°C and above but a Ca3Au8Ge3-type structure (Pnnm, a = 9.6082(8) Ã…, b = 14.171(1) Ã…, c = 4.6719(4) Ã…, Z = 2) if annealed at 400 Â°C. The transition occurs at about 454 Â°C according to DTA data. Both structures feature columns of Sr-centered pentagonal and hexagonal prisms of Au and Sn stacked along the respective longest axial directions, but different "colorings" of the polyhedra are evident. In the high-temperature phase (Immm) all sites shared between the two prisms adopt 50:50 mixtures of Au/Sn atoms, whereas in the low-temperature phase (Pnnm) Au or Sn are completely ordered. A Klassengleiche group-subgroup relationship was established between these two structures. LMTO-ASA calculations reveal that Î”E for the disorder-to-order transformation on cooling is driven mainly by optimization of the Au-Au and Au-Sn bond populations around the former mixed Au/Sn sites, particularly those with extremely short bonds at the higher temperature. These gains also overcome the smaller effect of ordering on the entropy decrease. PMID:23679918
Ghani, Muhammad U; Yan, Aimin; Wong, Molly D; Li, Yuhua; Ren, Liqiang; Wu, Xizeng; Liu, Hong
2015-12-17
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 ?m 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 ?m 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 ?m 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 study therefore validates the potential of using high energy phase contrast x-ray imaging to improve lesion detection and reduce radiation dose for clinical applications such as mammography. PMID:26756405
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 Âµm 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 Âµm 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 Âµm 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 study therefore validates the potential of using high energy phase contrast x-ray imaging to improve lesion detection and reduce radiation dose for clinical applications such as mammography. PMID:26756405
Mueller, Benjamin K; Subramaniam, Sabareesh; Senes, Alessandro
2014-03-11
Carbon hydrogen bonds between C?-H donors and carbonyl acceptors are frequently observed between transmembrane helices (C?-H···O=C). Networks of these interactions occur often at helix-helix interfaces mediated by GxxxG and similar patterns. C?-H hydrogen bonds have been hypothesized to be important in membrane protein folding and association, but evidence that they are major determinants of helix association is still lacking. Here we present a comprehensive geometric analysis of homodimeric helices that demonstrates the existence of a single region in conformational space with high propensity for C?-H···O=C hydrogen bond formation. This region corresponds to the most frequent motif for parallel dimers, GASright, whose best-known example is glycophorin A. The finding suggests a causal link between the high frequency of occurrence of GASright and its propensity for carbon hydrogen bond formation. Investigation of the sequence dependency of the motif determined that Gly residues are required at specific positions where only Gly can act as a donor with its "side chain" H?. Gly also reduces the steric barrier for non-Gly amino acids at other positions to act as C? donors, promoting the formation of cooperative hydrogen bonding networks. These findings offer a structural rationale for the occurrence of GxxxG patterns at the GASright interface. The analysis identified the conformational space and the sequence requirement of C?-H···O=C mediated motifs; we took advantage of these results to develop a structural prediction method. The resulting program, CATM, predicts ab initio the known high-resolution structures of homodimeric GASright motifs at near-atomic level. PMID:24569864
Bond dissociation energies and bond orders for some astrophysical molecules
NASA Astrophysics Data System (ADS)
Reddy, R. R.; Viswanath, R.
1989-06-01
The bond dissociation energies for various astrophysically important diatomic molecules have been determined using a formula in which bond dissociation energies are the sum of the geometric average of the component bond energies and 32.058 times the Pauling electronegativity difference. Bond orders are estimated according to the formula of Reddy et al. (1985, 1987). The results confirm the definition of bond order given by Politzer (1969). The estimated bond energies are found to agree well with previous values and to give an error of 8 percent, as compared to the error of 26.8 percent found using Pauling's (1960) equation.
Visualizing the Geometric Series.
ERIC Educational Resources Information Center
Bennett, Albert B., Jr.
1989-01-01
Mathematical proofs often leave students unconvinced or without understanding of what has been proved, because they provide no visual-geometric representation. Presented are geometric models for the finite geometric series when r is a whole number, and the infinite geometric series when r is the reciprocal of a whole number. (MNS)
NASA Astrophysics Data System (ADS)
Lu, Haw-Minn
1998-11-01
This dissertation takes the first steps in the use of differential geometry in the study of images in pixel space. Unlike previous applications of geometry which focused on the surfaces of objects, this dissertation examines image manifolds. Previous work on image manifolds did not examine their intrinsic geometry. This work unifies many observations found in past work. Beyond that, many new results are obtained. In the first parts of this dissertation, the dimensions of some selected image manifolds are experimentally determined, yielding a ratio of pixel space dimension to image manifold dimension on the order of 100:1. This leads immediately to some new bounds on image source entropy. A novel approach to defining images as signals yields an analogous sampling theorem. The main repercussion of this approach is the discovery that sampling within reason is a geometric invariant. This work resurrects a classic signal interpolation method which has not been previously applied to images. With the geometric invariance of sampling in hand, more advanced aspects of image manifold geometry are explored. The first of these aspects is curvature, which is shown to be extremely high. The discovery of high curvature explains the well established but poorly understood fact that linear subspace coding methods applied to images are far from optimal. Some geometric theory concerning the use of geodesics to represent images is presented. More advanced aspects of image manifold structures are explored experimentally. Preliminary results in this area indicate that there may be a structural relation between images of crudely similar objects in similar poses. Supplementary to the theory, a novel approach to image warping is devised called multimorphing. Unlike traditional morphing, multimorphing allows one to combine several images.
Weinberger, S; Bäder, M; Scheurig-Münkler, C; Hinz, S; Neymeyer, J; Miller, K; Kempkensteffen, C
2014-01-01
Within the evaluation process of living kidney donors, split renal function is usually evaluated by renal scintigraphy. Since split renal function measured by conventional posterior scans depends on the position of the kidney, actual suitable donors may be rejected because of an inaccurate examination technique. We report the case of a 28-year-old male living kidney donor. Due to a complex vascular anatomy of the right kidney, only his left kidney was considered eligible for transplantation. In conventional posterior Tc99m-mercapto-acetyltriglycine scintigraphy, the left kidney had a relative function of 60%. A second scintigraphy using anterior and posterior dimercaptosuccinic acid scans with calculation of the geometric mean showed an adapted relative function of the left kidney of 53%, now meeting the inclusion criteria for living kidney donation. This case shows that the geometric mean method using simultaneous anterior and posterior views obtained with a dual-head gamma camera can be a very helpful approach to determine split renal function of potential living kidney donors. Further investigation is necessary to prove the benefit of a general bilateral scan before living kidney donation. PMID:24575115
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...
NASA Technical Reports Server (NTRS)
Vinas, A. F.; Scudder, J. D.
1986-01-01
A new, definitive, reliable and fast iterative method is described for determining the geometrical properties of a shock (i.e., theta sub Bn, yields N, V sub s and M sub A), the conservation constants and the self-consistent asymptotic magnetofluid variables, that uses the three dimensional magnetic field and plasma observations. The method is well conditioned and reliable at all theta sub Bn angles regardless of the shock strength or geometry. Explicit proof of uniqueness of the shock geometry solution by either analytical or graphical methods is given. The method is applied to synthetic and real shocks, including a bow shock event and the results are then compared with those determined by preaveraging methods and other iterative schemes. A complete analysis of the confidence region and error bounds of the solution is also presented.
A geometric algebra reformulation of geometric optics
NASA Astrophysics Data System (ADS)
Sugon, Quirino M.; McNamara, Daniel J.
2004-01-01
We present a tutorial on the Clifford (geometric) algebra Cl3,0 and use it to reformulate the laws of geometric optics. This algebra is essentially a Pauli algebra, with the Pauli sigma matrices interpreted as unit rays or vectors. In this algebra, the exponentials of imaginary vectors act as vector rotation operators. This property lets us rewrite the laws of reflection and refraction of light in geometric optics in exponential form. The reformulated laws allow easy translation of symbols to words and to diagrams. They also are shown to be equivalent to standard vector formulations. These coordinate-free laws can be shown to simplify the analysis of geometric optics problems such as the tracing of meridional and skew rays in lenses and optical fibers.
Deforming geometric transitions
NASA Astrophysics Data System (ADS)
Rossi, Michele
2015-04-01
After a quick review of the wild structure of the complex moduli space of Calabi-Yau 3-folds and the role of geometric transitions in this context (the Calabi-Yau web) the concept of deformation equivalence for geometric transitions is introduced to understand the arrows of the Gross-Reid Calabi-Yau web as deformation-equivalence classes of geometric transitions. Then the focus will be on some results and suitable examples to understand under which conditions it is possible to get simple geometric transitions, which are almost the only well-understood geometric transitions both in mathematics and in physics.
Xiao, Ruijuan; Li, Hong; Chen, Liquan
2015-01-01
Looking for solid state electrolytes with fast lithium ion conduction is an important prerequisite for developing all-solid-state lithium secondary batteries. By combining the simulation techniques in different levels of accuracy, e.g. the bond-valence (BV) method and the density functional theory (DFT), a high-throughput design and optimization scheme is proposed for searching fast lithium ion conductors as candidate solid state electrolytes for lithium rechargeable batteries. The screening from more than 1000 compounds is performed through BV-based method, and the ability to predict reliable tendency of the Li(+) migration energy barriers is confirmed by comparing with the results from DFT calculations. ?-Li3PS4 is taken as a model system to demonstrate the application of this combination method in optimizing properties of solid electrolytes. By employing the high-throughput DFT simulations to more than 200 structures of the doping derivatives of ?-Li3PS4, the effects of doping on the ionic conductivities in this material are predicted by the BV calculations. The O-doping scheme is proposed as a promising way to improve the kinetic properties of this materials, and the validity of the optimization is proved by the first-principles molecular dynamics (FPMD) simulations. PMID:26387639
NASA Astrophysics Data System (ADS)
Xiao, Ruijuan; Li, Hong; Chen, Liquan
2015-09-01
Looking for solid state electrolytes with fast lithium ion conduction is an important prerequisite for developing all-solid-state lithium secondary batteries. By combining the simulation techniques in different levels of accuracy, e.g. the bond-valence (BV) method and the density functional theory (DFT), a high-throughput design and optimization scheme is proposed for searching fast lithium ion conductors as candidate solid state electrolytes for lithium rechargeable batteries. The screening from more than 1000 compounds is performed through BV-based method, and the ability to predict reliable tendency of the Li+ migration energy barriers is confirmed by comparing with the results from DFT calculations. ?-Li3PS4 is taken as a model system to demonstrate the application of this combination method in optimizing properties of solid electrolytes. By employing the high-throughput DFT simulations to more than 200 structures of the doping derivatives of ?-Li3PS4, the effects of doping on the ionic conductivities in this material are predicted by the BV calculations. The O-doping scheme is proposed as a promising way to improve the kinetic properties of this materials, and the validity of the optimization is proved by the first-principles molecular dynamics (FPMD) simulations.
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. Î²-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 Î²-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
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)
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
NASA Astrophysics Data System (ADS)
Pariona, Moisés Meza; de Oliveira, Fabiane; Teleginski, Viviane; Machado, Siliane; Pinto, Marcio Augusto Villela
2015-07-01
Al-1.5 wt% Fe alloy was irradiate by Yb-fiber laser beam using the laser surface remelting (LSR) technique, generating weld fillets that covered the whole surface of the sample. The laser-treatment showed to be an efficient technology for corrosion resistance improvements. In this study, the finite element method was used to simulate the solidification processes by LSR technique. The method Multigrid was employed in order to reduce the CPU time, which is important to the viability for industrial applications. Multigrid method is a technique very promising of optimization that reduced drastically the CPU time. The result was highly satisfactory, because the CPU time has fallen dramatically in comparison when it was not used Multigrid method. To validate the result of numerical simulation with the experimental result was done the microstructural characterization of laser-treated layer by the optical microscopy and SEM techniques and however, that both results showing be consistent.
NASA Technical Reports Server (NTRS)
Yao, Tse-Min; Choi, Kyung K.
1987-01-01
An automatic regridding method and a three dimensional shape design parameterization technique were constructed and integrated into a unified theory of shape design sensitivity analysis. An algorithm was developed for general shape design sensitivity analysis of three dimensional eleastic solids. Numerical implementation of this shape design sensitivity analysis method was carried out using the finite element code ANSYS. The unified theory of shape design sensitivity analysis uses the material derivative of continuum mechanics with a design velocity field that represents shape change effects over the structural design. Automatic regridding methods were developed by generating a domain velocity field with boundary displacement method. Shape design parameterization for three dimensional surface design problems was illustrated using a Bezier surface with boundary perturbations that depend linearly on the perturbation of design parameters. A linearization method of optimization, LINRM, was used to obtain optimum shapes. Three examples from different engineering disciplines were investigated to demonstrate the accuracy and versatility of this shape design sensitivity analysis method.
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 geometricalâ€“temporal accuracy. Methods: A phantom with an imaging insert was driven with a sinusoidal superiorâ€“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 0.5â€‰s rather than 1.0â€‰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 aâ€¦
Astrometry without Geometric Distortion
NASA Astrophysics Data System (ADS)
Peng, Qingyu; Wang, Na; Peng, Huanwen; Zhang, Qingfeng; Li, Zhan
2015-08-01
Geometric distortion often exists in an astronomical CCD image even though a long focal length telescope is used. Two algorithms are developed to solve the pattern of geometric distortion and are tested based on many dithering CCD images observed at Yunnan Observatory using the 1 m telescope and 2.4 m telescope. Our results have shown that the astrometry for some moving targets such as an asteroid (Apophis) or a planetary natural satellite (Phoebe) is improved significantly after removing the geometric distortion in each CCD image. The algorithms can be also extended to applying to other telescopes for the purpose of precise astrometry or the check of positional propriety of a telescope.
Geometrizing Relativistic Quantum Mechanics
NASA Astrophysics Data System (ADS)
Falciano, F. T.; Novello, M.; Salim, J. M.
2010-12-01
We propose a new approach to describe quantum mechanics as a manifestation of non-Euclidean geometry. In particular, we construct a new geometrical space that we shall call Qwist. A Qwist space has a extra scalar degree of freedom that ultimately will be identified with quantum effects. The geometrical properties of Qwist allow us to formulate a geometrical version of the uncertainty principle. This relativistic uncertainty relation unifies the position-momentum and time-energy uncertainty principles in a unique relation that recover both of them in the non-relativistic limit.
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.
Geometric methods in quantum computation
NASA Astrophysics Data System (ADS)
Zhang, Jun
Recent advances in the physical sciences and engineering have created great hopes for new computational paradigms and substrates. One such new approach is the quantum computer, which holds the promise of enhanced computational power. Analogous to the way a classical computer is built from electrical circuits containing wires and logic gates, a quantum computer is built from quantum circuits containing quantum wires and elementary quantum gates to transport and manipulate quantum information. Therefore, design of quantum gates and quantum circuits is a prerequisite for any real application of quantum computation. In this dissertation we apply geometric control methods from differential geometry and Lie group representation theory to analyze the properties of quantum gates and to design optimal quantum circuits. Using the Cartan decomposition and the Weyl group, we show that the geometric structure of nonlocal two-qubit gates is a 3-Torus. After further reducing the symmetry, the geometric representation of nonlocal gates is seen to be conveniently visualized as a tetrahedron. Each point in this tetrahedron except on the base corresponds to a different equivalent class of nonlocal gates. This geometric representation is one of the cornerstones for the discussion on quantum computation in this dissertation. We investigate the properties of those two-qubit operations that can generate maximal entanglement. It is an astonishing finding that if we randomly choose a two-qubit operation, the probability that we obtain a perfect entangler is exactly one half. We prove that given a two-body interaction Hamiltonian, it is always possible to explicitly construct a quantum circuit for exact simulation of any arbitrary nonlocal two-qubit gate by turning on the two-body interaction for at most three times, together with at most four local gates. We also provide an analytic approach to construct a universal quantum circuit from any entangling gate supplemented with local gates. Closed form solutions have been derived for each step in this explicit construction procedure. Moreover, the minimum upper bound is found to construct a universal quantum circuit from any Controlled-Unitary gate. A near optimal explicit construction of universal quantum circuits from a given Controlled-Unitary is provided. For the Controlled-NOT and Double-CNOT gate, we then develop simple analytic ways to construct universal quantum circuits with exactly three applications, which is the least possible for these gates. We further discover a new quantum gate (named B gate) that achieves the desired universality with minimal number of gates. Optimal implementation of single-qubit quantum gates is also investigated. Finally, as a real physical application, a constructive way to implement any arbitrary two-qubit operation on a spin electronics system is discussed.
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.
A Babylonian Geometrical Algebra.
ERIC Educational Resources Information Center
Bidwell, James K.
1986-01-01
A possible method of derivation of prescriptions for solving problems, found in Babylonian cuneiform texts, is presented. It is a kind of "geometric algebra" based mainly on one figure and the manipulation of or within various areas and segments. (MNS)
Geometric Algebra for Physicists
NASA Astrophysics Data System (ADS)
Doran, Chris; Lasenby, Anthony
2003-07-01
As leading experts in geometric algebra, Chris Doran and Anthony Lasenby have led many new developments in the field over the last ten years. This book provides an introduction to the subject, covering applications such as black hole physics and quantum computing. Suitable as a textbook for graduate courses on the physical applications of geometric algebra, the volume is also a valuable reference for researchers working in the fields of relativity and quantum theory.
Dealing with Multiple Requirements in Geometric Arrangements.
Gomez-Nieto, Erick; Casaca, Wallace; Motta, Danilo; Hartmann, Ivar; Taubin, Gabriel; Nonato, Luis Gustavo
2016-03-01
Existing algorithms for building layouts from geometric primitives are typically designed to cope with requirements such as orthogonal alignment, overlap removal, optimal area usage, hierarchical organization, among others. However, most techniques are able to tackle just a few of those requirements simultaneously, impairing their use and flexibility. In this work we propose a novel methodology for building layouts from geometric primitives that concurrently addresses a wider range of requirements. Relying on multidimensional projection and mixed integer optimization, our approach arranges geometric objects in the visual space so as to generate well structured layouts that preserve the semantic relation among objects while still making an efficient use of display area. Moreover, scalability is handled through a hierarchical representation scheme combined with navigation tools. A comprehensive set of quantitative comparisons against existing geometry-based layouts and applications on text, image, and video data set visualization prove the effectiveness of our approach. PMID:26469283
Information Intrinsic Geometric Flows
NASA Astrophysics Data System (ADS)
Barbaresco, Frédéric
2006-11-01
Geometric Flow Theory is cross fertilized by diverse elements coming from Pure Mathematic and Mathematical Physic, but its foundation is mainly based on Riemannian Geometry, as explained by M. Berger in a recent panoramic view of this discipline, its extension to complex manifolds, the Erich Kähler's Geometry, vaunted for its unabated vitality by J.P. Bourguignon, and Minimal Surface Theory. This paper would like to initiate seminal studies for applying intrinsic geometric flows in the framework of information geometry theory. More specifically, after having introduced Information metric deduced for Complex Auto-Regressive (CAR) models from Fisher Matrix (Siegel Metric and Hyper-Abelian Metric from Entropic Kähler Potential), we study asymptotic behavior of reflection coefficients of CAR models driven by intrinsic Information geometric Kähler-Ricci and Calabi flows. These Information geometric flows can be used in different contexts to define distance between CAR models interpreted as geodesics of Entropy Manifold. We conclude with potential application of Intrinsic Geometric Flow on Gauss Map to transform Manifold of any dimension by mean of Generalized Weierstrass Formula introduced by Kenmotsu that can represent arbitrary surfaces with non-vanishing mean curvature in terms of the mean curvature function and the Gauss map. One of the advantages of the generalized formulae is that they allow to construct a new class of deformations of surfaces by use of Intrinsic Geometric Flow on Gauss Map. We conclude with the Heat equation interpretation in the framework of Information Geometry.
?-Hole aerogen bonding interactions.
Bauzá, Antonio; Frontera, Antonio
2015-10-14
In this manuscript we combine high level ab initio calculations (RI-MP2/aug-cc-pVTZ) and the analysis of several crystal structures to demonstrate the existence of ?-hole aerogen bonding interactions in Xe(iv) compounds. The ability of XeF4 and Xe(OMe)4 to interact with electron rich molecules is rationalized using several computational tools, including molecular electrostatic potential surfaces, energetic and geometric features of the complexes and "atoms in molecules" (AIM) and Natural Bond Orbital (NBO) analyses. We have found support for the ?-hole interaction involving the xenon atom from the solid state architecture of several X-ray structures retrieved from the crystal structural depot. Particularly, ?-hole aerogen bonding interactions are quite common in the solid state of Xe(IV) compounds. PMID:26252726
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.
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.
ERIC Educational Resources Information Center
Frazier, Laura Corbin
2000-01-01
Introduces a science activity on the bonding of chemical compounds. Assigns students the role of either a cation or anion and asks them to write the ions they may bond with. Assesses students' understanding of charge, bonding, and other concepts. (YDS)
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…
Sakhavand, Navid; Muthuramalingam, Prakash; Shahsavari, Rouzbeh
2013-06-25
The geometry and material property mismatch across the interface of hybrid materials with dissimilar building blocks make it extremely difficult to fully understand the lateral chemical bonding processes and design nanocomposites with optimal performance. Here, we report a combined first-principles study, molecular dynamics modeling, and theoretical derivations to unravel the detailed mechanisms of H-bonding, deformation, load transfer, and failure at the interface of polyvinyl alcohol (PVA) and silicates, as an example of hybrid materials with geometry and property mismatch across the interface. We identify contributing H-bonds that are key to adhesion and demonstrate a specific periodic pattern of interfacial H-bond network dictated by the interface mismatch and intramolecular H-bonding. We find that the maximum toughness, incorporating both intra- and interlayer strain energy contributions, govern the existence of optimum overlap length and thus the rupture of interfacial (interlayer) H-bond assemblies in natural and synthetic hybrid materials. This universally valid result is in contrast to the previous reports that correlate shear strength with rupture of H-bonds assemblies at a finite overlap length. Overall, this work establishes a unified understanding to explain the interplay between geometric constraints, interfacial H-bonding, materials characteristics, and optimal mechanical properties in hybrid organic-inorganic materials. PMID:23713817
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 â€“ Wyckoff sequence c12 with a = 23.1481(4) Ã…, b = 4.4736(1) Ã…, c = 11.0128(2) Ã…, V = 1140.43(4) Ã…3, 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 â€“ 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: ?SR measurements on single crystals Oren Ofer, Amit Keren, Jess H Brewer, Tianheng H Han and Young S Lee Classical topological order in kagome ice Andrew J Macdonald, Peter C W Holdsworth and Roger G Melko Magnetic phase diagrams of classical triangular and kagome antiferromagnets M V Gvozdikova, P-E Melchy and M E Zhitomirsky The ordering of XY spin glasses Hikaru Kawamura Dynamic and thermodynamic properties of the generalized diamond chain model for azurite Andreas Honecker, Shijie Hu, Robert Peters and Johannes Richter Classical height models with topological order Christopher L Henley A search for disorder in the spin glass double perovskites Sr2CaReO6 and Sr2MgReO6 using neutron diffraction and neutron pair distribution function analysis J E Greedan, Shahab Derakhshan, F Ramezanipour, J Siewenie and Th Proffen Order and disorder in the local and long-range structure of the spin-glass pyrochlore, Tb2Mo2O7 Yu Jiang, Ashfia Huq, Corwin H Booth, Georg Ehlers, John E Greedan and Jason S Gardner The magnetic phase diagram of Gd2Sn2O7 R S Freitas and J S Gardner Calculation of the expected zero-field muon relaxation rate in the geometrically frustrated rare earth pyrochlore Gd2Sn2O7 antiferromagnet P A McClarty, J N Cosman, A G Del Maestro and M J P Gingras Magnetic frustration in the disordered pyrochlore Yb2GaSbO7 J A Hodges, P Dalmas de Réotier, A Yaouanc, P C M Gubbens, P J C King and C Baines Titanium pyrochlore magnets: how much can be learned from magnetization measurements? O A Petrenko, M R Lees and G Balakrishnan Local susceptibility of the Yb2Ti2O7 rare earth pyrochlore computed from a Hamiltonian with anisotropic exchange J D Thompson, P A McClarty and M J P Gingras Slow and static spin correlations in Dy2 + xTi2 - xO7 - ? J S Gardner, G Ehlers, P Fouquet, B Farago and J R Stewart The spin ice Ho2Ti2O7 versus the spin liquid Tb2Ti2O7: field-induced magnetic structures A P Sazonov, A Gukasov and I Mirebeau Magnetic monopole dynamics in spin ice L D C Jaubert and P C W Holdsworth
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.
Time and Geometric Quantization
NASA Astrophysics Data System (ADS)
Abrikosov, A. A.; Gozzi, E.; Mauro, D.
In this paper we briefly review the functional version of the Koopman-von Neumann operatorial approach to classical mechanics. We then show that its quantization can be achieved by freezing to zero two Grassmannian partners of time. This method of quantization presents many similarities with the one known as Geometric Quantization.
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…
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 thatâ€¦
Geometric Series via Probability
ERIC Educational Resources Information Center
Tesman, Barry
2012-01-01
Infinite series is a challenging topic in the undergraduate mathematics curriculum for many students. In fact, there is a vast literature in mathematics education research on convergence issues. One of the most important types of infinite series is the geometric series. Their beauty lies in the fact that they can be evaluated explicitly and that…
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…
1500 System Geometric Dictionary.
ERIC Educational Resources Information Center
Peloquin, Paul V.
A general description is provided of the "geometric dictionary," a graphic display aid, used by the Computer-Assisted Instruction Laboratory at the Pennsylvania State University. The purpose of the description is to enable the reader to duplicate and use the dictionary on any cathode ray tube terminal of the IBM 1500 system. The major advantages…
Pragmatic geometric model evaluation
NASA Astrophysics Data System (ADS)
Pamer, Robert
2015-04-01
Quantification of subsurface model reliability is mathematically and technically demanding as there are many different sources of uncertainty and some of the factors can be assessed merely in a subjective way. For many practical applications in industry or risk assessment (e. g. geothermal drilling) a quantitative estimation of possible geometric variations in depth unit is preferred over relative numbers because of cost calculations for different scenarios. The talk gives an overview of several factors that affect the geometry of structural subsurface models that are based upon typical geological survey organization (GSO) data like geological maps, borehole data and conceptually driven construction of subsurface elements (e. g. fault network). Within the context of the trans-European project "GeoMol" uncertainty analysis has to be very pragmatic also because of different data rights, data policies and modelling software between the project partners. In a case study a two-step evaluation methodology for geometric subsurface model uncertainty is being developed. In a first step several models of the same volume of interest have been calculated by omitting successively more and more input data types (seismic constraints, fault network, outcrop data). The positions of the various horizon surfaces are then compared. The procedure is equivalent to comparing data of various levels of detail and therefore structural complexity. This gives a measure of the structural significance of each data set in space and as a consequence areas of geometric complexity are identified. These areas are usually very data sensitive hence geometric variability in between individual data points in these areas is higher than in areas of low structural complexity. Instead of calculating a multitude of different models by varying some input data or parameters as it is done by Monte-Carlo-simulations, the aim of the second step of the evaluation procedure (which is part of the ongoing work) is to calculate basically two model variations that can be seen as geometric extremes of all available input data. This does not lead to a probability distribution for the spatial position of geometric elements but it defines zones of major (or minor resp.) geometric variations due to data uncertainty. Both model evaluations are then analyzed together to give ranges of possible model outcomes in metric units.
A geometric approach to support vector machine (SVM) classification.
Mavroforakis, Michael E; Theodoridis, Sergios
2006-05-01
The geometric framework for the support vector machine (SVM) classification problem provides an intuitive ground for the understanding and the application of geometric optimization algorithms, leading to practical solutions of real world classification problems. In this work, the notion of "reduced convex hull" is employed and supported by a set of new theoretical results. These results allow existing geometric algorithms to be directly and practically applied to solve not only separable, but also nonseparable classification problems both accurately and efficiently. As a practical application of the new theoretical results, a known geometric algorithm has been employed and transformed accordingly to solve nonseparable problems successfully. PMID:16722171
Algebraic and geometric spread in finite frames
NASA Astrophysics Data System (ADS)
King, Emily J.
2015-08-01
When searching for finite unit norm tight frames (FUNTFs) of M vectors in FN which yield robust representations, one is concerned with finding frames consisting of frame vectors which are in some sense as spread apart as possible. Algebraic spread and geometric spread are the two most commonly used measures of spread. A frame with optimal algebraic spread is called full spark and is such that any subcollection of N frame vectors is a basis for FN. A Grassmannian frame is a FUNTF which satisfies the Grassmannian packing problem; that is, the frame vectors are optimally geometrically spread given fixed M and N. A particular example of a Grassmannian frame is an equiangular frame, which is such that the absolute value of all inner products of distinct vectors is equal. The relationship between these two types of optimal spread is complicated. The folk knowledge for many years was that equiangular frames were full spark; however, this is now known not to hold for an infinite class of equiangular frames. The exact relationship between these types of spread will be further explored in this talk, as well as Plücker coordinates and coherence, which are measures of how much a frame misses being optimally algebraically or geometrically spread.
Geometric simulation of flexible motion in proteins.
Wells, Stephen A
2014-01-01
This chapter describes the use of physically simplified analysis and simulation methods-pebble-game rigidity analysis, coarse-grained elastic network modeling, and template-based geometric simulation-to explore flexible motion in protein structures. Substantial amplitudes of flexible motion can be explored rapidly in an all-atom model, retaining realistic covalent bonding, steric exclusion, and a user-defined network of noncovalent polar and hydrophobic interactions, using desktop computing resources. Detailed instructions are given for simulations using FIRST/FRODA software installed on a UNIX/Linux workstation. Other implementations of similar methods exist, particularly NMSim and FRODAN, and are available online. Topics covered include rigidity analysis and constraints, geometric simulation of flexible motion, targeting between known structures, and exploration of motion along normal mode eigenvectors. PMID:24061922
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.
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.
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 Aharonovâ€“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
Foundations of Geometric Algebra computing
NASA Astrophysics Data System (ADS)
Hildenbrand, Dietmar
2012-09-01
Geometric Algebra has the power to lead easily from the geometric intuition of solving an engineering application to its efficient implementation on current and future computing platforms. It is easy to develop new algorithms in areas such as computer graphics, robotics, computer animation and computer simulation. Owing to its geometric intuitiveness, compactness and simplicity, algorithms based on Geometric Algebra can lead to enhanced quality, a reduction in development time and solutions that are more easily understandable and maintainable. Often, a clear structure and greater elegance result in lower runtime performance. However, based on our computing technology, Geometric Algebra implementations can even be faster and more robust than conventional ones. We present an example on how easy it is to describe algorithms in Geometric Algebra and introduce our technology for the integration of Geometric Algebra into standard programming languages. We really do hope that this technology can support the widespread use of Geometric Algebra Computing technology in many engineering fields.
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…
Theoretical study of the S bond H···O blue-shifted hydrogen bond
NASA Astrophysics Data System (ADS)
Yang, Yong
Theoretical calculations were performed to study the nature of the hydrogen bonds in the complexes HCHO···HSO, HCOOH···HSO, HCHO···HOO, and HCOOH···HOO. The geometric structures and vibrational frequencies of these four complexes at the MP2/6-31G(d,p) and MP2/6-311+G(d,p) levels are calculated by standard and counterpoise-corrected methods, respectively. The results indicate that in the complexes HCHO···HSO and HCOOH···HSO the S bond H bond is strongly contracted. In the S bond H···O hydrogen bonds, the calculated blue shifts for the S bond H stretching frequencies are in the vicinity of 50 cm-1. While in the complexes HCHO···HOO and HCOOH···HOO, the O bond H bond is elongated and O bond H···O red-shifted hydrogen bonds are found. From the natural bond orbital analysis it can be seen that the X bond H bond length in the X bond H···Y hydrogen bond is controlled by a balance of four main factors in the opposite directions: hyperconjugation, electron density redistribution, rehybridization, and structural reorganization. Among them hyperconjugation has the effect of elongating the X bond H bond. Electron density redistribution and rehybridization belong to the bond shortening effects, while structural reorganization has an uncertain influence on the X bond H bond length. In the complexes HCHO···HSO and HCOOH···HSO, the shortening effects dominate which lead to the blue shift of the S bond H stretching frequencies. In the complexes HCHO···HOO and HCOOH···HOO where elongating effects are dominant, the O bond H···O hydrogen bonds are red-shifted.
Geometric phase in Bohmian mechanics
Chou, Chia-Chun; Wyatt, Robert E.
2010-10-15
Using the quantum kinematic approach of Mukunda and Simon, we propose a geometric phase in Bohmian mechanics. A reparametrization and gauge invariant geometric phase is derived along an arbitrary path in configuration space. The single valuedness of the wave function implies that the geometric phase along a path must be equal to an integer multiple of 2{pi}. The nonzero geometric phase indicates that we go through the branch cut of the action function from one Riemann sheet to another when we locally travel along the path. For stationary states, quantum vortices exhibiting the quantized circulation integral can be regarded as a manifestation of the geometric phase. The bound-state Aharonov-Bohm effect demonstrates that the geometric phase along a closed path contains not only the circulation integral term but also an additional term associated with the magnetic flux. In addition, it is shown that the geometric phase proposed previously from the ensemble theory is not gauge invariant.
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.
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.
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.
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.
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.
Geometric exponents, SLE and logarithmic minimal models
NASA Astrophysics Data System (ADS)
Saint-Aubin, Yvan; Pearce, Paul A.; Rasmussen, Jørgen
2009-02-01
In statistical mechanics, observables are usually related to local degrees of freedom such as the Q<4 distinct states of the Q-state Potts models or the heights of the restricted solid-on-solid models. In the continuum scaling limit, these models are described by rational conformal field theories, namely the minimal models {\\cal M}(p,p') for suitable p,p'. More generally, as in stochastic Loewner evolution (SLE?), one can consider observables related to non-local degrees of freedom such as paths or boundaries of clusters. This leads to fractal dimensions or geometric exponents related to values of conformal dimensions not found among the finite sets of values allowed by the rational minimal models. Working in the context of a loop gas with loop fugacity ? = -2cos(4?/?), we use Monte Carlo simulations to measure the fractal dimensions of various geometric objects such as paths and the generalizations of cluster mass, cluster hull, external perimeter and red bonds. Specializing to the case where the SLE parameter ? = (4p'/p) is rational with p
geometric exponents are related to conformal dimensions found in the infinitely extended Kac tables of the logarithmic minimal models \\mathcal {L}\\mathcal {M}(p,p') . These theories describe lattice systems with non-local degrees of freedom. We present results for critical dense polymers \\mathcal {L}\\mathcal {M}(1,2) , critical percolation \\mathcal {L}\\mathcal {M}(2,3) , the logarithmic Ising model \\mathcal {L}\\mathcal {M}(3,4) , the logarithmic tricritical Ising model \\mathcal {L}\\mathcal {M}(4,5) as well as \\mathcal {L}\\mathcal {M}(3,5) . Our results are compared with rigorous results from SLE?, with predictions from theoretical physics and with other numerical experiments. Throughout, we emphasize the relationships between SLE?, geometric exponents and the conformal dimensions of the underlying CFTs.
Wood, Peter A; Pidcock, Elna; Allen, Frank H
2008-08-01
The occurrence, geometries and energies of hydrogen bonds from N-H and O-H donors to the S acceptors of thiourea derivatives, thioamides and thiones are compared with data for their O analogues - ureas, amides and ketones. Geometrical data derived from the Cambridge Structural Database indicate that hydrogen bonds to the C[double bond]S acceptors are much weaker than those to their C[double bond]O counterparts: van der Waals normalized hydrogen bonds to O are shorter than those to S by approximately 0.25 A. Further, the directionality of the approach of the hydrogen bond with respect to S, defined by the C[double bond]S...H angle, is in the range 102-109 degrees , much lower than the analogous C[double bond]O...H angle which lies in the range 127-140 degrees . Ab initio calculations using intermolecular perturbation theory show good agreement with the experimental results: the differences in hydrogen-bond directionality are closely reproduced, and the interaction energies of hydrogen bonds to S are consistently weaker than those to O, by approximately 12 kJ mol(-1), for each of the three compound classes. There are no CSD examples of hydrogen bonds to aliphatic thiones, (Csp(3))(2)C=S, consistent with the near-equality of the electronegativities of C and S. Thioureas and thioamides have electron-rich N substituents replacing the Csp(3) atoms. Electron delocalization involving C[double bond]S and the N lone pairs then induces a significant >C(delta+)[double bond]S(delta-) dipole, which enables the formation of the medium-strength C[double bond]S...H bonds observed in thioureas and thioamides. PMID:18641451
Rahm, Martin; Hoffmann, Roald
2016-03-23
The energy change per electron in a chemical or physical transformation, Î”E/n, may be expressed as Î”Ï‡Ì… + Î”(VNN + Ï‰)/n, where Î”Ï‡Ì… is the average electron binding energy, a generalized electronegativity, Î”VNN is the change in nuclear repulsions, and Î”Ï‰ 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 Î”Ï‡Ì… and Î”(VNN + Ï‰)/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
Gieseking, Rebecca L; Risko, Chad; Brédas, Jean-Luc
2015-06-18
Understanding the relationships between the molecular nonlinear optical (NLO) properties and the bond-length alternation (BLA) or ?-bond-order alternation (BOA) along the molecular backbone of linear ?-conjugated systems has proven widely useful in the development of NLO organic chromophores and materials. Here, we examine model polymethines to elucidate the reliability of these relationships. While BLA is solely a measure of molecular geometric structure, BOA includes information pertaining to the electronic structure. As a result, BLA is found to be a good predictor of NLO properties only when optimized geometries are considered, whereas BOA is more broadly applicable. Proper understanding of the distinction between BLA and BOA is critical when designing computational studies of NLO properties, especially for molecules in complex environments or in nonequilibrium geometries. PMID:26266585
Sajan, D; Joseph, Lynnette; Vijayan, N; Karabacak, M
2011-10-15
The spectroscopic properties of the crystallized nonlinear optical molecule L-histidinium bromide monohydrate (abbreviated as L-HBr-mh) have been recorded and analyzed by FT-IR, FT-Raman and UV techniques. The equilibrium geometry, vibrational wavenumbers and the first order hyperpolarizability of the crystal were calculated with the help of density functional theory computations. The optimized geometric bond lengths and bond angles obtained by using DFT (B3LYP/6-311++G(d,p)) show good agreement with the experimental data. The complete assignments of fundamental vibrations were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. The natural bond orbital (NBO) analysis confirms the occurrence of strong intra and intermolecular N-Hâ‹¯O hydrogen bonding. PMID:21775197
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.
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...
The rotational spectrum and geometrical structure of thiozone, S3.
McCarthy, Michael C; Thorwirth, Sven; Gottlieb, Carl A; Thaddeus, Patrick
2004-04-01
The rotational spectrum of thiozone, S3, has been observed for the first time. From the rotational constants of the normal and 34S isotopic species, a precise geometrical structure has been derived: S3 is a bent chain with a bond to the apex S of length 1.917(1) A and an apex angle of 117.36(6) degrees . The derived structural parameters indicate substantial double-bonding character in S3 and sp2 hybridization of the central sulfur atom. Thiozone is an excellent candidate for astronomical detection in the atmosphere of Io, the innermost Galilean moon of Jupiter, and in rich interstellar sources. PMID:15053585
Halogen bonds in crystal engineering: like hydrogen bonds yet different.
Mukherjee, Arijit; Tothadi, Srinu; Desiraju, Gautam R
2014-08-19
The halogen bond is an attractive interaction in which an electrophilic halogen atom approaches a negatively polarized species. Short halogen atom contacts in crystals have been known for around 50 years. Such contacts are found in two varieties: type I, which is symmetrical, and type II, which is bent. Both are influenced by geometric and chemical considerations. Our research group has been using halogen atom interactions as design elements in crystal engineering, for nearly 30 years. These interactions include halogen···halogen interactions (X···X) and halogen···heteroatom interactions (X···B). Many X···X and almost all X···B contacts can be classified as halogen bonds. In this Account, we illustrate examples of crystal engineering where one can build up from previous knowledge with a focus that is provided by the modern definition of the halogen bond. We also comment on the similarities and differences between halogen bonds and hydrogen bonds. These interactions are similar because the protagonist atoms-halogen and hydrogen-are both electrophilic in nature. The interactions are distinctive because the size of a halogen atom is of consequence when compared with the atomic sizes of, for example, C, N, and O, unlike that of a hydrogen atom. Conclusions may be drawn pertaining to the nature of X···X interactions from the Cambridge Structural Database (CSD). There is a clear geometric and chemical distinction between type I and type II, with only type II being halogen bonds. Cl/Br isostructurality is explained based on a geometric model. In parallel, experimental studies on 3,4-dichlorophenol and its congeners shed light on the nature of halogen···halogen interactions and reveal the chemical difference between Cl and Br. Variable temperature studies also show differences between type I and type II contacts. In terms of crystal design, halogen bonds offer a unique opportunity in the strength, atom size and interaction gradation; this may be used in the design of ternary cocrystals. Structural modularity in which an entire crystal structure is defined as a combination of modules is rationalized on the basis of the intermediate strength of a halogen bond. The specific directionality of the halogen bond makes it a good tool to achieve orthogonality in molecular crystals. Mechanical properties can be tuned systematically by varying these orthogonally oriented halogen···halogen interactions. In a further development, halogen bonds are shown to play a systematic role in organization of LSAMs (long range synthon aufbau module), which are bigger structural units containing multiple synthons. With a formal definition in place, this may be the right time to look at differences between halogen bonds and hydrogen bonds and exploit them in more subtle ways in crystal engineering. PMID:25134974
Correlated algebraic-geometric codes
NASA Astrophysics Data System (ADS)
Guruswami, Venkatesan; Patthak, Anindya C.
2008-03-01
We define a new family of error-correcting codes based on algebraic curves over finite fields, and develop efficient list decoding algorithms for them. Our codes extend the class of algebraic-geometric (AG) codes via a (nonobvious) generalization of the approach in the recent breakthrough work of Parvaresh and Vardy (2005). Our work shows that the PV framework applies to fairly general settings by elucidating the key algebraic concepts underlying it. Also, more importantly, AG codes of arbitrary block length exist over fixed alphabets Sigma , thus enabling us to establish new trade-offs between the list decoding radius and rate over a bounded alphabet size. The work of Parvaresh and Vardy (2005) was extended in Guruswami and Rudra (2006) to give explicit codes that achieve the list decoding capacity (optimal trade-off between rate and fraction of errors corrected) over large alphabets. A similar extension of this work along the lines of Guruswami and Rudra could have substantial impact. Indeed, it could give better trade-offs than currently known over a fixed alphabet (say, GF(2^{12}) ), which in turn, upon concatenation with a fixed, well-understood binary code, could take us closer to the list decoding capacity for binary codes. This may also be a promising way to address the significant complexity drawback of the result of Guruswami and Rudra, and to enable approaching capacity with bounded list size independent of the block length (the list size and decoding complexity in their work are both n^{Omega(1/\\varepsilon)} where \\varepsilon is the distance to capacity). Similar to algorithms for AG codes from Guruswami and Sudan (1999) and (2001), our encoding/decoding algorithms run in polynomial time assuming a natural polynomial-size representation of the code. For codes based on a specific ``optimal'' algebraic curve, we also present an expected polynomial time algorithm to construct the requisite representation. This in turn fills an important void in the literature by presenting an efficient construction of the representation often assumed in the list decoding algorithms for AG codes.
Soyda?, Emine; Bozkaya, U?ur
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
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.
Optical traps with geometric aberrations
Roichman, Yael; Waldron, Alex; Gardel, Emily; Grier, David G
2006-05-20
We assess the influence of geometric aberrations on the in-plane performance of optical traps by studying the dynamics of trapped colloidal spheres in deliberately distorted holographic optical tweezers. The lateral stiffness of the traps turns out to be insensitive to moderate amounts of coma, astigmatism, and spherical aberration. Moreover holographic aberration correction enables us to compensate inherent shortcomings in the optical train, thereby adaptively improving its performance. We also demonstrate the effects of geometric aberrations on the intensity profiles of optical vortices, whose readily measured deformations suggest a method for rapidly estimating and correcting geometric aberrations in holographic trapping systems.
Geometric phases in chiral superconductors
NASA Astrophysics Data System (ADS)
Abanov, Alexander; Wiegmann, Paul; Zhou, Fei
2001-03-01
We revisit the derivation of topological terms (geometric phases) in effective theories of chiral superconductors. We are particularly interested in a chiral p-wave superconductor in two-dimensions with potential applications to Sr2 Ru O4 and ^3He-A films. This problem has been intensively discussed in the past. We found that the important nonperturbative geometric phases, related to the global chiral anomaly were overlooked. Without them the theory is not self-consistent. We discuss physical consequences of these geometric phases.
GAMNAS- GEOMETRIC AND MATERIAL NONLINEAR ANALYSIS OF STRUCTURES
NASA Technical Reports Server (NTRS)
Whitcomb, J. D.
1994-01-01
GAMNAS (Geometric and Material Nonlinear Analysis of Structures) is a two-dimensional finite element stress analysis program developed to support fracture mechanics studies of debonding and delamination. GAMNAS options include linear, geometric nonlinear, material nonlinear, and combined geometric and material nonlinear analysis. GAMNAS can analyze plastic deformations of isotropic materials. GAMNAS can calculate strain energy release rates using a virtual crack extension technique. The element available to the GAMMNAS user is a four-node isoparametric quadrilateral with full or reduced integration. GAMNAS has been used to investigate debonding and delamination of adhesively bonded composites. GAMNAS is written in FORTRAN 77 for batch execution and has been implemented on a PRIME 700 series computer. As currently dimensioned for a maximum global stiffness matrix of 1300 degrees of freedom and a bandwidth of 70, GAMNAS has a central memory requirement of approximately 603K of 16 bit words. GAMNAS was developed in 1983.
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.)
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.
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)
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.
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.
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
Ashouri, Mitra; Maghari, Ali; Karimi-Jafari, M H
2015-05-28
Bisphosphonates are important therapeutic agents in bone-related diseases and exhibit complex H-bonding networks. To assess the role of H-bonds in biophosphonate stability, a full conformational search was performed for methylenebisphosphonate (MBP) and 1-hydroxyethylidene-1,1-diphosphonate (HEDP) using the MP2 method in conjunction with the continuum solvation model. The most stable structures and their equilibrium populations were analyzed at two protonation states via assignment of H-bonding motifs to each conformer. Geometrical and topological approaches for the identification and characterization of H-bonds were compared with each other, and some of the important correlations between H-bond features were described over the entire conformational space of a hydroxy-bisphosphonate moiety. The topologically derived H-bond energy obtained from the local density of potential energy at bond critical points shows consistent correlations with other measures such as H-bond frequency shift. An inverse power form without an intercept predicts topological H-bond energies from hydrogen-acceptor distances with an RMS error of less than 1 kcal mol(-1). The consistency of this measure was further checked by building a model that reasonably reproduces the relative stabilities of different conformers from their hydrogen-acceptor distances. In all systems, the predictions of this model are improved by the consideration of weak H-bonds that have no bond critical point. PMID:25920461
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…
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.
Geometric scalar theory of gravity
NASA Astrophysics Data System (ADS)
Novello, M.; Bittencourt, E.; Moschella, U.; Goulart, E.; Salim, J. M.; Toniato, J. D.
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.
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 â€” which is one of the main difficulties to couple gravity with electromagnetic phenomenon in previous models â€” 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.
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 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 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 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. __________________________________________________
Geometric registration and rectification of spaceborne SAR imagery
NASA Technical Reports Server (NTRS)
Curlander, J. C.; Pang, S. N.
1982-01-01
This paper describes the development of automated location and geometric rectification techniques for digitally processed synthetic aperture radar (SAR) imagery. A software package has been developed that is capable of determining the absolute location of an image pixel to within 60 m using only the spacecraft ephemeris data and the characteristics of the SAR data collection and processing system. Based on this location capability algorithms have been developed that geometrically rectify the imagery, register it to a common coordinate system and mosaic multiple frames to form extended digital SAR maps. These algorithms have been optimized using parallel processing techniques to minimize the operating time. Test results are given using Seasat SAR data.
Teleportation of geometric structures in 3D
NASA Astrophysics Data System (ADS)
Aerts, Diederik; Czachor, Marek; Or?owski, ?ukasz
2009-04-01
The simplest quantum teleportation algorithms can be represented in geometric terms in spaces of dimensions 3 (for real state vectors) and 4 (for complex state vectors). The geometric representation is based on geometric-algebra coding, a geometric alternative to the tensor-product coding typical of quantum mechanics. We discuss all the elementary ingredients of the geometric version of the algorithm: geometric analogs of states and controlled Pauli gates. A fully geometric presentation is possible if one employs a nonstandard representation of directed magnitudes, formulated in terms of colors defined via stereographic projection of a color wheel, and not by means of directed volumes.
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.
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
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 Ï(rc) and the Pauling bond strength s with bond length, it appears that Paulingâ€™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, Ïƒ, power law expression Ïƒ = [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, <Ï(rc)> = r[(1.41)/
A geometric approach to direct minimization
NASA Astrophysics Data System (ADS)
van Voorhis, Troy; Head-Gordon, Martin
The approach presented, geometric direct minimization (GDM), is derived from purely geometrical arguments, and is designed to minimize a function of a set of orthonormal orbitals. The optimization steps consist of sequential unitary transformations of the orbitals, and convergence is accelerated using the Broyden-Fletcher-Goldfarb-Shanno (BFGS) approach in the iterative subspace, together with a diagonal approximation to the Hessian for the remaining degrees of freedom. The approach is tested by implementing the solution of the self-consistent field (SCF) equations and comparing results with the standard direct inversion in the iterative subspace (DIIS) method. It is found that GDM is very robust and converges in every system studied, including several cases in which DIIS fails to find a solution. For main group compounds, GDM convergence is nearly as rapid as DIIS, whereas for transition metalcontaining systems we find that GDM is significantly slower than DIIS. A hybrid procedure where DIIS is used for the first several iterations and GDM is used thereafter is found to provide a robust solution for transition metal-containing systems.
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…
Geometric quantum noise of spin.
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-SchÃ¶n 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. PMID:25978252
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.
Designing molecular devices by altering bond lengths.
Lamba, Vijay; Wilkinson, Suman J; Arora, Charu
2011-12-01
The work focuses on a theoretical approach to investigating the electric field (EF) dependence of bond-length alternation, the geometric and electronic structures of molecular wires used in the design of molecular electronic devices, the EF dependence of SCF energy, and the spatial distribution of the frontier orbitals of the molecular wires. Just as the bond length is an important influence on the conductance of the molecular wire, the dependence of the conductance on the chain length was also studied. We have also investigated how the current-voltage (I-V) characteristics change with bond length, as the bond length plays an important role in determining the conductance of molecular wires. PMID:21369931
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.
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 50â€‰Â°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 0.954â€‰MPa, while the auto-fluorescence test demonstrates that there is no leakage or blockage in any of the bonded micro- or nanochannels.
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)
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…
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)
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.
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.
Two-Scale Geometrical Resonance
NASA Astrophysics Data System (ADS)
Yu, K.; Usatenko, O. V.
The paper deals with influence of two-scale variations of parameters on the behavior of different dynamical systems. By two-scale we mean parameter oscillations occur in an alternating manner with large and small temporal gradient, on a typical period intervals. The shape of such parameter dependence resembles relaxation oscillations. Parametric instability is revealed under these conditions. We call it two-scale geometric resonance (TGR). TGR can be described with the help of certain geometric structures on the extended phase space. TGR possesses similar properties and can be described in similar ways in seemingly different systems. The article presents general models for the TGR description and considers a few specific examples: classical oscillator, Van-der-Pol oscillator and thermodynamic system with ideal gas.
Geometrical and FEA study on Millipede Forming
NASA Astrophysics Data System (ADS)
Kong, Lingran; Tang, Di; Ding, Shichao; Zhang, Yuankun
2013-12-01
Millipede Forming is an innovative sheet metal forming approach that has been proposed and developed in Australia. U-channels, Z-channels or tubular products can be made by Millipede Forming. While a strip moves through an optimal transitional surface between the entry to exit of a forming stand, the redundant longitudinal membrane strain can be significantly reduced compared to the conventional roll forming, which is the essential principle to obtaining high quality products. The incremental forming process studied has demonstrated major advantages on space efficiency, power consumption and materials sensitivities. The purpose of this study is to investigate the effects of main geometrical parameters and their optimization, in order to minimize the redundant longitudinal strains into elastic to avoid the redundant plastic deformations at flange during forming. In this study, a mild-steel U-channel sample with 10 mm flange width, fabricated by Millipede Forming in a forming length of 200 mm has been studied. Theoretical longitudinal membrane strains at profile's edge of different transitional surfaces and downhill pass are also analyzed. The results showed that obtaining an optimal transitional surface is essential and necessary in controlling the peak longitudinal strain to an acceptable amount and that by increasing downhill pass, longitudinal strain can be significantly reduced. The optimized transitional surface and downhill pass flow were simulated by Abaqus, and the peak longitudinal strain was finally less than 0.2% through a very short forming length of 200 mm. The results prove that Millipede Forming can achieve a better product quality in a much shorter forming distance than conventional roll forming.
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.
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…
Bond order analysis based on the Laplacian of electron density in fuzzy overlap space.
Lu, Tian; Chen, Feiwu
2013-04-11
Bond order is an important concept for understanding the nature of a chemical bond. In this work, we propose a novel definition of bond order, called the Laplacian bond order (LBO), which is defined as a scaled integral of negative parts of the Laplacian of electron density in fuzzy overlap space. Many remarkable features of LBO are exemplified by numerous structurally diverse molecules. It is shown that LBO has a direct correlation with the bond polarity, the bond dissociation energy, and the bond vibrational frequency. The dissociation behavior of LBO of the N-N bond in N2 has been studied. Effects of the basis sets, theoretic methods, and geometrical conformations on LBO have also been investigated. Through comparisons, we discussed in details similarities and discrepancies among LBO, Mayer bond order, natural localized molecular orbital bond order, fuzzy overlap population, and electron density at bond critical points. PMID:23514314
Geometric mean for subspace selection.
Tao, Dacheng; Li, Xuelong; Wu, Xindong; Maybank, Stephen J
2009-02-01
Subspace selection approaches are powerful tools in pattern classification and data visualization. One of the most important subspace approaches is the linear dimensionality reduction step in the Fisher's linear discriminant analysis (FLDA), which has been successfully employed in many fields such as biometrics, bioinformatics, and multimedia information management. However, the linear dimensionality reduction step in FLDA has a critical drawback: for a classification task with c classes, if the dimension of the projected subspace is strictly lower than c - 1, the projection to a subspace tends to merge those classes, which are close together in the original feature space. If separate classes are sampled from Gaussian distributions, all with identical covariance matrices, then the linear dimensionality reduction step in FLDA maximizes the mean value of the Kullback-Leibler (KL) divergences between different classes. Based on this viewpoint, the geometric mean for subspace selection is studied in this paper. Three criteria are analyzed: 1) maximization of the geometric mean of the KL divergences, 2) maximization of the geometric mean of the normalized KL divergences, and 3) the combination of 1 and 2. Preliminary experimental results based on synthetic data, UCI Machine Learning Repository, and handwriting digits show that the third criterion is a potential discriminative subspace selection method, which significantly reduces the class separation problem in comparing with the linear dimensionality reduction step in FLDA and its several representative extensions. PMID:19110492
A method for systematic site-to-bond conversion of directed graphs
NASA Astrophysics Data System (ADS)
Duarte, J. A. M. S.
1990-01-01
A graph-theoretic method for the complete derivability of bond graphs from their site counterparts is described. Bond perimeter, valence, and cyclomatic number distributions as well as spatial extent measures can be systematically generated when coupled with a site valence partition in the original graph. Relevant consequences for bond configurations include the facts that (i) percolation perimeter and cyclomatic number distributions are equivalent, (ii) geometrical susceptibilities are not independent, and (iii) a critical site/bond ratio exists.
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
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,â€¦
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)â€¦
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 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
Bond paths are not chemical bonds.
Bader, Richard F W
2009-09-24
This account takes to task papers that criticize the definition of a bond path as a criterion for the bonding between the atoms it links by mistakenly identifying it with a chemical bond. It is argued that the notion of a chemical bond is too restrictive to account for the physics underlying the broad spectrum of interactions between atoms and molecules that determine the properties of matter. A bond path on the other hand, as well as being accessible to experimental verification and subject to the theorems of quantum mechanics, is applicable to any and all of the interactions that account for the properties of matter. It is shown that one may define a bond path operator as a Dirac observable, making the bond path the measurable expectation value of a quantum mechanical operator. Particular attention is given to van der Waals interactions that traditionally are assumed to represent attractive interactions that are distinct from chemical bonding. They are assumed by some to act in concert with Pauli repulsions to account for the existence of condensed states of molecules. It is such dichotomies of interpretation that are resolved by the experimental detection of bond paths and the delineation of their properties in molecular crystals. Specific criticisms of the stabilization afforded by the presence of bond paths derived from spectroscopic measurements performed on dideuteriophenanthrene are shown to be physically unsound. The concept of a bond path as a "bridge of density" linking bonded atoms was introduced by London in 1928 following the definition of the electron density by Schrödinger in 1926. These papers marked the beginning of the theory of atoms in molecules linked by bond paths. PMID:19722600
On the geometrization of electrodynamics
NASA Astrophysics Data System (ADS)
Vargas, Jose G.
1991-04-01
This paper develops the conjecture that the electromagnetic interaction is the manifestation of the torsion ?? of spacetime. This conjecture is made feasible by the natural separation of the connection ?{?/v} into “gravitational” and “electromagnetic” parts ?{?/v} and ?{?/v}, respectively, related to the metric and to the torsion. When ?{?/v} is neglected in front of ?{?/v}, the affine geodesics are shown to become the equations of motion of charged particles with Lorentz force, for an appropriate choice of ??. Since ?{?/v} contains the factor q/m, neutral particles do not see the torsional part of the connection and behave as if ?? were zero, i.e., as in Einstein's theory of gravity (the same effect is obviously obtained for charged particles when ?{?/v} ? ?{?/v}). In addition to the factor q/m, the velocity of the test particle appears in ??. This indicates that the appropriate context for this problem is to be found in velocity-dependent connections. The velocities are now coordinates and become the actual velocities of the test particles only in the system of equations that one solves for obtaining the affine geodesics in connections of this type. When written with differential forms, the combination of Maxwell's equations and of the pertinent form of the torsion suggests geometric field equations for electrodynamics. As for the gravitational part of the connection, it can be made to obey equations similar in form to the Einstein field equations. A unified geometric theory of electrodynamics and gravitation spontaneously emerges. The present state of the theory does not yet permit us to ascertain whether the right-hand side of the fully geometric, gravitational field equations corresponds to the energy-momentum tensor.
Fractal geometrical properties of nuclei
NASA Astrophysics Data System (ADS)
Ma, Wei-Hu; Wang, Jian-Song; Wang, Qi; Mukherjee, S.; Yang, Lei; Yang, Yan-Yun; Huang, Mei-Rong
2015-10-01
We present a new idea to understand the structure of nuclei and compare it to the liquid drop model. After discussing the probability that the nuclear system may be a fractal object with the characteristic of self-similarity, the irregular nuclear structure properties and the self-similarity characteristic are considered to be an intrinsic aspect of the nuclear structure properties. For the description of nuclear geometric properties, the nuclear fractal dimension is an irreplaceable variable similar to the nuclear radius. In order to determine these two variables, a new nuclear potential energy formula which is related to the fractal dimension is put forward and the phenomenological semiempirical Bethe-Weizsäcker binding energy formula is modified using the fractal geometric theory. One important equation set with two equations is obtained, which is related to the concept that the fractal dimension should be a dynamic parameter in the process of nuclear synthesis. The fractal dimensions of the light nuclei are calculated and their physical meanings are discussed. We compare the nuclear fractal mean density radii with the radii calculated by the liquid drop model for the light stable and unstable nuclei using rational nuclear fractal structure types. In the present model of fractal nuclear structure there is an obvious additional feature compared to the liquid drop model, since the present model can reflect the geometric information of the nuclear structure, especially for nuclei with clusters, such as the ?-cluster nuclei and halo nuclei. Supported by National Basic Research Program of China (973 Program) (2014CB845405, 2013CB8344x), National Natural Science Foundation of China (U1432247, 11205209, 11205221)
Geometric Buckling of Elliptical Cylinder
Murray, Raymond L.
2005-07-15
Research by Gast and Bournia on nuclear reactor cores in the form of elliptical cylinders is revisited. Derivations are presented, and data are extended in scope and accuracy. Findings on asymptotic series for constants needed in the evaluation of Mathieu functions are reported, along with accurate alternative techniques. Geometric bucklings are expressed in terms of circular cylinders with equivalent surface-to-volume ratios in a form that allows easy interpolation from tables. The estimation of extrapolation distances at boundaries of elliptical systems is addressed. Applications considered include a possible research reactor, the damage of fuel storage/shipping casks, and decommissioning of the damaged Windscale reactor.
Bond angles around a tetravalent atom.
Bohn, Robert K; Allen, Wesley D
2015-03-01
Relationships among the six bond angles about a central tetravalent atom depend on symmetry, ranging from the most symmetrical Td point group to the least symmetrical C1 point group having only the identity element. Exact relationships are derived here in two ways: (1) a purely algebraic treatment of the general mathematical conditions among the bond angles, followed by factorizations that arise from various symmetry constraints and (2) a reverse approach based on geometric analysis, starting with the most symmetrical Td case and relaxing constraints stepwise to lower point groups. The mathematical formulas show systematically how the degrees of freedom among the bond angles increase from zero to a maximum of five as the symmetry is relaxed from the Td symmetry. PMID:25291015
Geometric effects in tomographic reconstruction
Barnes, F.L.; Azevedo, S.G.; Martz, H.E. Jr.; Roberson, G.P.; Schneberk, D.J.; Skeate, M.F.
1990-01-08
In x-ray and ion-beam computerized tomography, there are a number of reconstruction effects, manifested as artifacts, that can be attributed to the geometry of the experimental setup and of the object being scanned. In this work, we will examine four geometric effects that are common to first-and third-generation (parallel beam, 180 degree) computerized tomography (CT) scanners and suggest solutions for each problem. The geometric effects focused on in this paper are: X-pattern'' artifacts (believed to be caused by several errors), edge-generated ringing artifacts (due to improper choice of the reconstruction filter and cutoff frequency), circular-ring artifacts (caused by employing uncalibrated detectors), and tuning-fork artifacts (generated by an incorrectly specified center-of-rotation). Examples of four effects are presented. The X-pattern and edge-generated ringing artifacts are presented with actual experimental data introducing the artifact. given the source of the artifact, we present simulated data designed to replicate the artifact. Finally, we suggest ways to reduce or completely remove these artifacts. The circular-ring and tuning-fork artifacts are introduced with actual experimental data as well, while digital signal processing solutions are employed to remove the artifacts from the data. 15 refs., 12 figs.
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
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.
Oxidative addition of the C-I bond on aluminum nanoclusters
NASA Astrophysics Data System (ADS)
Sengupta, Turbasu; Das, Susanta; Pal, Sourav
2015-07-01
Energetics and the in-depth reaction mechanism of the oxidative addition step of the cross-coupling reaction are studied in the framework of density functional theory (DFT) on aluminum nanoclusters. Aluminum metal in its bulk state is totally inactive towards carbon-halogen bond dissociation but selected Al nanoclusters (size ranging from 3 to 20 atoms) have shown a significantly lower activation barrier towards the oxidative addition reaction. The calculated energy barriers are lower than the gold clusters and within a comparable range with the conventional and most versatile Pd catalyst. Further investigations reveal that the activation energies and other reaction parameters are highly sensitive to the geometrical shapes and electronic structures of the clusters rather than their size, imposing the fact that comprehensive studies on aluminum clusters can be beneficial for nanoscience and nanotechnology. To understand the possible reaction mechanism in detail, the reaction pathway is investigated with the ab initio Born Oppenheimer Molecular Dynamics (BOMD) simulation and the Natural Bond Orbital (NBO) analysis. In short, our theoretical study highlights the thermodynamic and kinetic details of C-I bond dissociation on aluminum clusters for future endeavors in cluster chemistry.Energetics and the in-depth reaction mechanism of the oxidative addition step of the cross-coupling reaction are studied in the framework of density functional theory (DFT) on aluminum nanoclusters. Aluminum metal in its bulk state is totally inactive towards carbon-halogen bond dissociation but selected Al nanoclusters (size ranging from 3 to 20 atoms) have shown a significantly lower activation barrier towards the oxidative addition reaction. The calculated energy barriers are lower than the gold clusters and within a comparable range with the conventional and most versatile Pd catalyst. Further investigations reveal that the activation energies and other reaction parameters are highly sensitive to the geometrical shapes and electronic structures of the clusters rather than their size, imposing the fact that comprehensive studies on aluminum clusters can be beneficial for nanoscience and nanotechnology. To understand the possible reaction mechanism in detail, the reaction pathway is investigated with the ab initio Born Oppenheimer Molecular Dynamics (BOMD) simulation and the Natural Bond Orbital (NBO) analysis. In short, our theoretical study highlights the thermodynamic and kinetic details of C-I bond dissociation on aluminum clusters for future endeavors in cluster chemistry. Electronic supplementary information (ESI) available: Cartesian coordinates for the optimized structures and harmonic frequencies, sample IRC data and plot, grid data for three dimensional potential energy surface and contour plot and data for BOMD simulation. See DOI: 10.1039/c5nr02278a
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 Î» = 0,459-0,546 W m * Â°C. The clear geometric dimensions of pressed products allow the use of the chemically-bonded brick based on burnt clay as a facing brick.
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.
Real-Time Nondestructive Contact Resistance Method to Estimate Wire Bond Pull Force
NASA Astrophysics Data System (ADS)
Kurppa, R.; Seppänen, H.; Meriläinen, A.; Oinonen, M.; Hæggström, E.
2010-02-01
We estimate microelectronic wire bond quality nondestructively by measuring the contact resistance (CR) of the bond in situ during the bonding process. This measurement employs a Kelvin cross setup contacting the wedge, 25 um Al wire and an Au substrate. The results verify that the method can identify the bond process phases and predict whether the bonding was successful (94% classification accuracy). The method can be used for process control and optimization to create stronger bonds and higher yield.
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.
Fileti, Eudes E; Coutinho, Kaline; Malaspina, Thaciana; Canuto, Sylvio
2003-06-01
Combined Metropolis Monte Carlo computer simulation and first-principles quantum mechanical calculations of pyridine in water are performed to analyze the role of thermal disorder in the electronic properties of hydrogen bonds in an aqueous environment. The simulation uses the NVT ensemble and includes one pyridine and 400 water molecules. Using a very efficient geometric-energetic criterion, the hydrogen bonds between pyridine and water C5H5N---H2O are identified and separated for subsequent quantum mechanical calculations of the electronic and spectroscopic properties. Statistically uncorrelated configurations composed of one pyridine and one water molecule are used to represent the configuration space of the hydrogen bonds in the liquid. The quantum mechanical calculations on these structures are performed at the correlated second-order perturbation theory level and all results are corrected for basis-set superposition error. The results are compared with the equivalent electronic properties of the hydrogen bond in the minimum-energy configuration. Charge transfer, dipole moment, and dipole polarizabilities are calculated for the thermally disordered and minimum-energy structures. In addition, using the mean and anisotropic polarizabilities, the Rayleigh depolarizations are obtained. All properties obtained for the thermally disordered structures are represented by a statistical distribution and a convergence of the average values is obtained. The results indicate that the charge transfer, dipole moment, and average depolarization ratios are systematically decreased in the liquid compared to the optimized cluster. This study quantifies, using ab initio quantum mechanics and statistical analysis, the important aspect of the thermal disorder of the hydrogen bond in a liquid system. PMID:16241230
NASA Astrophysics Data System (ADS)
Fileti, Eudes E.; Coutinho, Kaline; Malaspina, Thaciana; Canuto, Sylvio
2003-06-01
Combined Metropolis Monte Carlo computer simulation and first-principles quantum mechanical calculations of pyridine in water are performed to analyze the role of thermal disorder in the electronic properties of hydrogen bonds in an aqueous environment. The simulation uses the NVT ensemble and includes one pyridine and 400 water molecules. Using a very efficient geometric-energetic criterion, the hydrogen bonds between pyridine and water C5H5N---H2O are identified and separated for subsequent quantum mechanical calculations of the electronic and spectroscopic properties. Statistically uncorrelated configurations composed of one pyridine and one water molecule are used to represent the configuration space of the hydrogen bonds in the liquid. The quantum mechanical calculations on these structures are performed at the correlated second-order perturbation theory level and all results are corrected for basis-set superposition error. The results are compared with the equivalent electronic properties of the hydrogen bond in the minimum-energy configuration. Charge transfer, dipole moment, and dipole polarizabilities are calculated for the thermally disordered and minimum-energy structures. In addition, using the mean and anisotropic polarizabilities, the Rayleigh depolarizations are obtained. All properties obtained for the thermally disordered structures are represented by a statistical distribution and a convergence of the average values is obtained. The results indicate that the charge transfer, dipole moment, and average depolarization ratios are systematically decreased in the liquid compared to the optimized cluster. This study quantifies, using ab initio quantum mechanics and statistical analysis, the important aspect of the thermal disorder of the hydrogen bond in a liquid system.
Zhao, Qiang
2016-01-01
Quantum chemical calculations were carried out to investigate interplay between halogen bonds and pnicogen bonds in XBr???OFH2P???NH3 (X = F, Cl, CN, NC, OH, and NO2) complexes at the M06-2X/aug-cc-pVDZ level. Cooperative effects are observed when halogen bonds and pnicogen bonds coexist in the same complex. These effects are analyzed in terms of geometric and energetic properties of the complexes. The mechanism of cooperative effects is analyzed in view with molecular electrostatic potential, natural bond orbital, and density difference of molecule formation analyses. PMID:26645809
Geometrical setting of solid mechanics
Fiala, Zdenek
2011-08-15
Highlights: > Solid mechanics within the Riemannian symmetric manifold GL (3, R)/O (3, R). > Generalized logarithmic strain. > Consistent linearization. > Incremental principle of virtual power. > Time-discrete approximation. - Abstract: The starting point in the geometrical setting of solid mechanics is to represent deformation process of a solid body as a trajectory in a convenient space with Riemannian geometry, and then to use the corresponding tools for its analysis. Based on virtual power of internal stresses, we show that such a configuration space is the (globally) symmetric space of symmetric positive-definite real matrices. From this unifying point of view, we shall analyse the logarithmic strain, the stress rate, as well as linearization and intrinsic integration of corresponding evolution equation.
Geometric analysis of transient bursts
NASA Astrophysics Data System (ADS)
Osinga, Hinke M.; Tsaneva-Atanasova, Krasimira T.
2013-12-01
We consider the effect of a brief stimulation from the rest state of a minimal neuronal model with multiple time scales. Such transient dynamics brings out the intrinsic bursting capabilities of the system. Our main goal is to show that a minimum of three dimensions is enough to generate spike-adding phenomena in transient responses, and that the onset of a new spike can be tracked using existing continuation packages. We take a geometric approach to illustrate how the underlying fast subsystem organises the spike adding in much the same way as for spike adding in periodic bursts, but the bifurcation analysis for spike onset is entirely different. By using a generic model, we further strengthen claims made in our earlier work that our numerical method for spike onset can be used for a broad class of systems.
Geometric localization of STEREO CMEs
NASA Astrophysics Data System (ADS)
Pizzo, V. J.; Biesecker, D. A.
2004-11-01
We describe a straightforward methodology for determining the location and other gross properties of CMEs within the coronagraph field of view in the upcoming STEREO mission observations. We use geometric triangulation upon a series of lines-of-sight taken from two spacecraft views that are locally tangent to the apparent edges of a CME. From the intersections of these lines-of-sight, we construct a set of stacked quadrilaterals that fully bound the structure and convey something of its location, shape, and size; a time sequence of such determinations can be used to determine the velocity. The technique is relatively robust and promises a substantial improvement in our capability to locate and characterize CMEs for research as well as forecasting purposes.
Geometric algebra in plasma electrodynamics
NASA Astrophysics Data System (ADS)
Resendes, D. P.; Resendes
2013-10-01
Geometric algebra (GA) is a recent broad mathematical framework incorporating synthetic and coordinate geometry, complex variables, quarternions, vector analysis, matrix algebra, spinors, tensors, and differential forms. It has been claimed to be a unified language for physics. GA is presented in the context of the Maxwell-Plasma system. In this formalism the divergence and curl differential operators are united in a single vector derivative, which is invertible, in the form of a first-order Green function. The four Maxwell equations can be combined into a single equation (for homogeneous and constant media) or into two equations involving the invertible vector derivative for more complex media. GA is applied to simple examples to illustrate the compactness of the notation and coordinate-free computations.
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.
An algorithm for converting a virtual-bond chain into a complete polypeptide backbone chain
NASA Technical Reports Server (NTRS)
Luo, N.; Shibata, M.; Rein, R.
1991-01-01
A systematic analysis is presented of the algorithm for converting a virtual-bond chain, defined by the coordinates of the alpha-carbons of a given protein, into a complete polypeptide backbone. An alternative algorithm, based upon the same set of geometric parameters used in the Purisima-Scheraga algorithm but with a different "linkage map" of the algorithmic procedures, is proposed. The global virtual-bond chain geometric constraints are more easily separable from the loal peptide geometric and energetic constraints derived from, for example, the Ramachandran criterion, within the framework of this approach.
Geometric solitons of Hamiltonian flows on manifolds
NASA Astrophysics Data System (ADS)
Song, Chong; Sun, Xiaowei; Wang, Youde
2013-12-01
It is well-known that the LIE (Locally Induction Equation) admit soliton-type solutions and same soliton solutions arise from different and apparently irrelevant physical models. By comparing the solitons of LIE and Killing magnetic geodesics, we observe that these solitons are essentially decided by two families of isometries of the domain and the target space, respectively. With this insight, we propose the new concept of geometric solitons of Hamiltonian flows on manifolds, such as geometric Schrödinger flows and KdV flows for maps. Moreover, we give several examples of geometric solitons of the Schrödinger flow and geometric KdV flow, including magnetic curves as geometric Schrödinger solitons and explicit geometric KdV solitons on surfaces of revolution.
Geometric solitons of Hamiltonian flows on manifolds
Song, Chong; Sun, Xiaowei; Wang, Youde
2013-12-15
It is well-known that the LIE (Locally Induction Equation) admit soliton-type solutions and same soliton solutions arise from different and apparently irrelevant physical models. By comparing the solitons of LIE and Killing magnetic geodesics, we observe that these solitons are essentially decided by two families of isometries of the domain and the target space, respectively. With this insight, we propose the new concept of geometric solitons of Hamiltonian flows on manifolds, such as geometric Schrödinger flows and KdV flows for maps. Moreover, we give several examples of geometric solitons of the Schrödinger flow and geometric KdV flow, including magnetic curves as geometric Schrödinger solitons and explicit geometric KdV solitons on surfaces of revolution.
Strong, high-yield and low-temperature thermocompression silicon wafer-level bonding with gold
NASA Astrophysics Data System (ADS)
Taklo, M. M. V.; Storås, P.; Schjølberg-Henriksen, K.; Hasting, H. K.; Jakobsen, H.
2004-07-01
A systematic variation of process parameters for wafer-level thermocompression bonding with gold is presented for the first time. The process was optimized for high bond strength and high bond yield. In addition, the impact of the process temperature was investigated. A bond strength of 10.7 ± 4.5 MPa and a bond yield of 89% was achieved when bonding a wafer pair at 298 °C applying 4 MPa pressure for 45 min. A total of ten wafer pairs were bonded in a custom-built bonding tool and tested to establish the optimal process parameters. The bonded interface was found to be strong and dense enough for MEMS applications. The bonds were characterized using pull tests, transmission electron microscopy (TEM) and energy dispersive x-ray spectroscopy (EDS). The TEM inspections indicated that it is possible to form hermetic seals by using the presented bonding method.
Some features of geometrical modeling system development
NASA Astrophysics Data System (ADS)
Kurennov, Dmitry
2015-11-01
The description of data structure for the description of geometrical three-dimensional object model is presented in the paper. Use of such data structure allows to develop algorithms of models creation for complex geometrical objects. The present possibility has essential value at creation of geometrical modeling system which can form a basis for development of specialized systems of automation, for example, of design and technological preparation of production.
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.
Bonding silicones with epoxies
Tira, J.S.
1980-01-01
It is shown that silicones, both room temperature vulcanizing (RTV) and millable rubber (press cured) can be successfully bonded to other materials using plasma treatment and epoxy adhesives. The plasma treatment using dry air atmosphere increases the surface energy of the silicone and thus provides a lower water contact angle. This phenomenon allows the epoxy adhesive to wet the silicone surface and ultimately bond. Bond strengths are sufficiently high to result in failures in the silicone materials rather than the adhesive bond.
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.
Theoretical study of the red- and blue-shifted hydrogen bonds of nitroxyl and acetylene dimers
NASA Astrophysics Data System (ADS)
Liu, Ying; Liu, Wenqing; Yang, Yong; Liu, Jianguo
Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the C bond H?O red-shifted and N bond H?? blue-shifted hydrogen bonds in HNO bond C2H2 dimers. The geometric structures, vibrational frequencies and interaction energies were calculated by both standard and counterpoise (CP)-corrected methods. In addition, the G3B3 method was employed to calculate the interaction energies. The topological and natural bond orbital (NBO) analysis were investigated the origin of N bond H?? blue-shifted hydrogen bond. From the NBO analysis, the electron density decrease in the ?* (N bond H) is due to the significant electron density redistribution effect. The blue shifts of the N bond H stretching frequency are attributed to a cooperative effect between the rehybridization and electron density redistribution.
A wire scanning based method for geometric calibration of high resolution CT system
NASA Astrophysics Data System (ADS)
Jiang, Ruijie; Li, Guang; Gu, Ning; Chen, Gong; Luo, Shouhua
2015-03-01
This paper is about geometric calibration of the high resolution CT (Computed Tomography) system. Geometric calibration refers to the estimation of a set of parameters that describe the geometry of the CT system. Such parameters are so important that a little error of them will degrade the reconstruction images seriously, so more accurate geometric parameters are needed in the higher-resolution CT systems. But conventional calibration methods are not accurate enough for the current high resolution CT system whose resolution can reach sub-micrometer or even tens of nanometers. In this paper, we propose a new calibration method which has higher accuracy and it is based on the optimization theory. The superiority of this method is that we build a new cost function which sets up a relationship between the geometrical parameters and the binary reconstruction image of a thin wire. When the geometrical parameters are accurate, the cost function reaches its maximum value. In the experiment, we scanned a thin wire as the calibration data and a thin bamboo stick as the validation data to verify the correctness of the proposed method. Comparing with the image reconstructed with the geometric parameters calculated by using the conventional calibration method, the image reconstructed with the parameters calculated by our method has less geometric artifacts, so it can verify that our method can get more accurate geometric calibration parameters. Although we calculated only one geometric parameter in this paper, the geometric artifacts are still eliminated significantly. And this method can be easily generalized to all the geometrical parameters calibration in fan-beam or cone-beam CT systems.
Geometric programming prediction of design trends for OMV protective structures
NASA Technical Reports Server (NTRS)
Mog, R. A.; Horn, J. R.
1990-01-01
The global optimization trends of protective honeycomb structural designs for spacecraft subject to hypervelocity meteroid and space debris are presented. This nonlinear problem is first formulated for weight minimization of the orbital maneuvering vehicle (OMV) using a generic monomial predictor. Five problem formulations are considered, each dependent on the selection of independent design variables. Each case is optimized by considering the dual geometric programming problem. The dual variables are solved for in terms of the generic estimated exponents of the monomial predictor. The primal variables are then solved for by conversion. Finally, parametric design trends are developed for ranges of the estimated regression parameters. Results specify nonmonotonic relationships for the optimal first and second sheet mass per unit areas in terms of the estimated exponents.
Control of tree water networks: A geometric programming approach
NASA Astrophysics Data System (ADS)
Sela Perelman, L.; Amin, S.
2015-10-01
This paper presents a modeling and operation approach for tree water supply systems. The network control problem is approximated as a geometric programming (GP) problem. The original nonlinear nonconvex network control problem is transformed into a convex optimization problem. The optimization model can be efficiently solved to optimality using state-of-the-art solvers. Two control schemes are presented: (1) operation of network actuators (pumps and valves) and (2) controlled demand shedding allocation between network consumers with limited resources. The dual of the network control problem is formulated and is used to perform sensitivity analysis with respect to hydraulic constraints. The approach is demonstrated on a small branched-topology network and later extended to a medium-size irrigation network. The results demonstrate an intrinsic trade-off between energy costs and demand shedding policy, providing an efficient decision support tool for active management of water systems.
Geometric asymmetry driven Janus micromotors
NASA Astrophysics Data System (ADS)
Zhao, Guanjia; Pumera, Martin
2014-09-01
The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a ``coconut'' micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors.The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a ``coconut'' micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors. Electronic supplementary information (ESI) available: Additional SEM images, data analysis, Videos S-1 and S-2. See DOI: 10.1039/c4nr02393e
Cr-Cr Quintuple Bonds: Ligand Topology and Interplay Between Metal-Metal and Metal-Ligand Bonding.
Falceto, Andrés; Theopold, Klaus H; Alvarez, Santiago
2015-11-16
Chromium-chromium quintuple bonds seem to be approaching the lower limit for their bond distances, and this computational density functional theory study tries to explore the geometrical and electronic factors that determine that distance and to find ways to fine-tune it via the ligand choice. While for monodentate ligands the Cr-Cr distance is predicted to shorten as the Cr-Cr-L bond angle increases, with bridging bidentate ligands the trend is the opposite, since those ligands with a larger number of spacers between the donor atoms favor larger bond angles and longer bond distances. Compared to Cr-Cr quadruple bonds, the quintuple bonding in Cr2L2 compounds (with L a bridging bidentate N-donor ligand) involves a sophisticated mechanism that comprises a positive pyramidality effect for the ? and one ? bond, but a negative effect for one of the ? bonds. Moreover, the shorter Cr-Cr distances produce a mismatch of the bridging ligand lone pairs and the metal acceptor orbitals, which results in a negative correlation of the Cr-Cr and Cr-N bond distances in both experimental and calculated structures. PMID:26502158
Bonding thermoplastic polymers
Wallow, Thomas I. (Fremont, CA); Hunter, Marion C. (Livermore, CA); Krafcik, Karen Lee (Livermore, CA); Morales, Alfredo M. (Livermore, CA); Simmons, Blake A. (San Francisco, CA); Domeier, Linda A. (Danville, CA)
2008-06-24
We demonstrate a new method for joining patterned thermoplastic parts into layered structures. The method takes advantage of case-II permeant diffusion to generate dimensionally controlled, activated bonding layers at the surfaces being joined. It is capable of producing bonds characterized by cohesive failure while preserving the fidelity of patterned features in the bonding surfaces. This approach is uniquely suited to production of microfluidic multilayer structures, as it allows the bond-forming interface between plastic parts to be precisely manipulated at micrometer length scales. The bond enhancing procedure is easily integrated in standard process flows and requires no specialized equipment.
Prospective bonding applications
NASA Astrophysics Data System (ADS)
Ancenay, H.; Benazet, D.
1981-07-01
Adhesive bonding in industry and in the laboratory is surveyed and prospects for its wider utilization are assessed. The economic impact of bonding technology on industry is discussed. Research is reviewed, centering on the development of nondestructive testing and inspection techniques. Traditional (wood) as well as new materials susceptible to bonding are considered. Applications in construction and civil engineering, in aeronautics, and in the automobile industry are covered. The use of glues in mechanical constructions, in assembling cylindrical parts, and in metal-metal bonding are examined. Hybrid assembling and bonding of composite materials are included.
Gary S. Groenewold
2005-08-01
Simple bond cleavage is a class of fragmentation reactions in which a single bond is broken, without formation of new bonds between previously unconnected atoms. Because no bond making is involved, simple bond cleavages are endothermic, and activation energies are generally higher than for rearrangement eliminations. The rate of simple bond cleavage reactions is a strong function of the internal energy of the molecular ion, which reflects a loose transition state that resembles reaction products, and has a high density of accessible states. For this reason, simple bond cleavages tend to dominate fragmentation reactions for highly energized molecular ions. Simple bond cleavages have negligible reverse activation energy, and hence they are used as valuable probes of ion thermochemistry, since the energy dependence of the reactions can be related to the bond energy. In organic mass spectrometry, simple bond cleavages of odd electron ions can be either homolytic or heterolytic, depending on whether the fragmentation is driven by the radical site or the charge site. Simple bond cleavages of even electron ions tend to be heterolytic, producing even electron product ions and neutrals.
NASA Astrophysics Data System (ADS)
Janotti, Anderson; van de Walle, Chris G.
2007-01-01
The concept of a chemical bond stands out as a major development in the process of understanding how atoms are held together in molecules and solids. Lewis' classical picture of chemical bonds as shared-electron pairs evolved to the quantum-mechanical valence-bond and molecular-orbital theories, and the classification of molecules and solids in terms of their bonding type: covalent, ionic, van der Waals and metallic. Along with the more complex hydrogen bonds and three-centre bonds, they form a paradigm within which the structure of almost all molecules and solids can be understood. Here, we present evidence for hydrogen multicentre bonds-a generalization of three-centre bonds-in which a hydrogen atom equally bonds to four or more other atoms. When substituting for oxygen in metal oxides, hydrogen bonds equally to all the surrounding metal atoms, becoming fourfold coordinated in ZnO, and sixfold coordinated in MgO. These multicentre bonds are remarkably strong despite their large hydrogen-metal distances. The calculated local vibration mode frequency in MgO agrees with infrared spectroscopy measurements. Multicoordinated hydrogen also explains the dependence of electrical conductivity on oxygen partial pressure, resolving a long-standing controversy on the role of point defects in unintentional n-type conductivity of ZnO (refs 8-10).
Geometric morphology of cellular solids
Schlei, B. R.; Prasad, L.; Skourikhine, A. N.
2001-01-01
We demonstrate how to derive morphological information from micrographs, i.e., grey-level images, of polymeric foams. The segmentation of the images is performed by applying a pulse-coupled neural network. This processing generates blobs of the foams walls/struts and voids, respectively. The contours of the blobs and their corresponding points form the input to a constrained Delaunay tessellation, which provides an unstructured grid of the material under consideration. The subsequently applied Chordal Axis Transform captures the intrinsic shape characteristics, and facilitates the identification and localization of key morphological features. While stochastic features of the polymeric foams struts/walls such as areas, aspect ratios, etc., already can be computed at this stage, the foams voids require further geometric processing. The voids are separated into single foam cells. This shape manipulation leads to a refinement of the initial blob contours, which then requires the repeated application of the constrained Delaunay tessellation and Chordal Axis Transform, respectively. Using minimum enclosing rectangles for each foam cell, finally the stochastic features of the foam voids are computed.
Geometrical aspects of quantum spaces
Ho, P.M.
1996-05-11
Various geometrical aspects of quantum spaces are presented showing the possibility of building physics on quantum spaces. In the first chapter the authors give the motivations for studying noncommutative geometry and also review the definition of a Hopf algebra and some general features of the differential geometry on quantum groups and quantum planes. In Chapter 2 and Chapter 3 the noncommutative version of differential calculus, integration and complex structure are established for the quantum sphere S{sub 1}{sup 2} and the quantum complex projective space CP{sub q}(N), on which there are quantum group symmetries that are represented nonlinearly, and are respected by all the aforementioned structures. The braiding of S{sub q}{sup 2} and CP{sub q}(N) is also described. In Chapter 4 the quantum projective geometry over the quantum projective space CP{sub q}(N) is developed. Collinearity conditions, coplanarity conditions, intersections and anharmonic ratios is described. In Chapter 5 an algebraic formulation of Reimannian geometry on quantum spaces is presented where Riemannian metric, distance, Laplacian, connection, and curvature have their quantum counterparts. This attempt is also extended to complex manifolds. Examples include the quantum sphere, the complex quantum projective space and the two-sheeted space. The quantum group of general coordinate transformations on some quantum spaces is also given.
Geometric reasoning about assembly tools
Wilson, R.H.
1997-01-01
Planning for assembly requires reasoning about various tools used by humans, robots, or other automation to manipulate, attach, and test parts and subassemblies. This paper presents a general framework to represent and reason about geometric accessibility issues for a wide variety of such assembly tools. Central to the framework is a use volume encoding a minimum space that must be free in an assembly state to apply a given tool, and placement constraints on where that volume must be placed relative to the parts on which the tool acts. Determining whether a tool can be applied in a given assembly state is then reduced to an instance of the FINDPLACE problem. In addition, the author presents more efficient methods to integrate the framework into assembly planning. For tools that are applied either before or after their target parts are mated, one method pre-processes a single tool application for all possible states of assembly of a product in polynomial time, reducing all later state-tool queries to evaluations of a simple expression. For tools applied after their target parts are mated, a complementary method guarantees polynomial-time assembly planning. The author presents a wide variety of tools that can be described adequately using the approach, and surveys tool catalogs to determine coverage of standard tools. Finally, the author describes an implementation of the approach in an assembly planning system and experiments with a library of over one hundred manual and robotic tools and several complex assemblies.
Mobility in geometrically confined membranes
Domanov, Yegor A.; Aimon, Sophie; Toombes, Gilman E. S.; Renner, Marianne; Quemeneur, François; Triller, Antoine; Turner, Matthew S.; Bassereau, Patricia
2011-01-01
Lipid and protein lateral mobility is essential for biological function. Our theoretical understanding of this mobility can be traced to the seminal work of Saffman and Delbrück, who predicted a logarithmic dependence of the protein diffusion coefficient (i) on the inverse of the size of the protein and (ii) on the “membrane size” for membranes of finite size [Saffman P, Delbrück M (1975) Proc Natl Acad Sci USA 72:3111—3113]. Although the experimental proof of the first prediction is a matter of debate, the second has not previously been thought to be experimentally accessible. Here, we construct just such a geometrically confined membrane by forming lipid bilayer nanotubes of controlled radii connected to giant liposomes. We followed the diffusion of individual molecules in the tubular membrane using single particle tracking of quantum dots coupled to lipids or voltage-gated potassium channels KvAP, while changing the membrane tube radius from approximately 250 to 10 nm. We found that both lipid and protein diffusion was slower in tubular membranes with smaller radii. The protein diffusion coefficient decreased as much as 5-fold compared to diffusion on the effectively flat membrane of the giant liposomes. Both lipid and protein diffusion data are consistent with the predictions of a hydrodynamic theory that extends the work of Saffman and Delbrück to cylindrical geometries. This study therefore provides strong experimental support for the ubiquitous Saffman–Delbrück theory and elucidates the role of membrane geometry and size in regulating lateral diffusion. PMID:21768336
Bond dissociation energies from the topology of the charge density using gradient bundle analysis
NASA Astrophysics Data System (ADS)
Morgenstern, Amanda; Eberhart, Mark
2016-02-01
New and more robust models of chemical bonding are necessary to further our understanding of chemical phenomena. Among these are bond bundle and gradient bundle methods, which analyze bonding interactions in terms of property distributions over geometrically defined volumes. These methods have been shown to provide a systematic framework from which to search for structureâ€“property relationships. In addition to providing a brief review of some of the relationships found using this framework, we present new findings that relate the lowering of kinetic energy in bonding regions to bond dissociation energy.
Early Sex Differences in Weighting Geometric Cues
ERIC Educational Resources Information Center
Lourenco, Stella F.; Addy, Dede; Huttenlocher, Janellen; Fabian, Lydia
2011-01-01
When geometric and non-geometric information are both available for specifying location, men have been shown to rely more heavily on geometry compared to women. To shed insight on the nature and developmental origins of this sex difference, we examined how 18- to 24-month-olds represented the geometry of a surrounding (rectangular) space when…
The geometric semantics of algebraic quantum mechanics.
Cruz Morales, John Alexander; Zilber, Boris
2015-08-01
In this paper, we will present an ongoing project that aims to use model theory as a suitable mathematical setting for studying the formalism of quantum mechanics. We argue that this approach provides a geometric semantics for such a formalism by means of establishing a (non-commutative) duality between certain algebraic and geometric objects. PMID:26124252
Geometric Derivation of Radial Acceleration Magnitude.
ERIC Educational Resources Information Center
Kraft, David W.; Motz, Lloyd
1995-01-01
Standard treatments of uniform circular motion generally employ a combination of geometric and kinematic arguments to obtain the magnitude of radial acceleration. Presents a novel approach to the geometric portion of the derivation that uses the property that vectors can be translated parallel to themselves. (JRH)
The Random Cluster Model for Robust Geometric Fitting.
Pham, Trung T; Chin, Tat-Jun; Yu, Jin; Suter, David
2014-08-01
Random hypothesis generation is central to robust geometric model fitting in computer vision. The predominant technique is to randomly sample minimal subsets of the data, and hypothesize the geometric models from the selected subsets. While taking minimal subsets increases the chance of successively "hitting" inliers in a sample, hypotheses fitted on minimal subsets may be severely biased due to the influence of measurement noise, even if the minimal subsets contain purely inliers. In this paper we propose Random Cluster Models, a technique used to simulate coupled spin systems, to conduct hypothesis generation using subsets larger than minimal. We show how large clusters of data from genuine instances of the model can be efficiently harvested to produce accurate hypotheses that are less affected by the vagaries of fitting on minimal subsets. A second aspect of the problem is the optimization of the set of structures that best fit the data. We show how our novel hypothesis sampler can be integrated seamlessly with graph cuts under a simple annealing framework to optimize the fitting efficiently. Unlike previous methods that conduct hypothesis sampling and fitting optimization in two disjoint stages, our algorithm performs the two subtasks alternatingly and in a mutually reinforcing manner. Experimental results show clear improvements in overall efficiency. PMID:26353345
Coherent Control of Bond Making.
Levin, Liat; Skomorowski, Wojciech; Rybak, Leonid; Kosloff, Ronnie; Koch, Christiane P; Amitay, Zohar
2015-06-12
We demonstrate coherent control of bond making, a milestone on the way to coherent control of photoinduced bimolecular chemical reactions. In strong-field multiphoton femtosecond photoassociation experiments, we find the yield of detected magnesium dimer molecules to be enhanced for positively chirped pulses and suppressed for negatively chirped pulses. Our ab initio model shows that control is achieved by purification combined with chirp-dependent Raman transitions. Experimental closed-loop phase optimization using a learning algorithm yields an improved pulse that utilizes vibrational coherent dynamics in addition to chirp-dependent Raman transitions. Our results show that coherent control of binary photoreactions is feasible even under thermal conditions. PMID:26196798
Coherent Control of Bond Making
NASA Astrophysics Data System (ADS)
Levin, Liat; Skomorowski, Wojciech; Rybak, Leonid; Kosloff, Ronnie; Koch, Christiane P.; Amitay, Zohar
2015-06-01
We demonstrate coherent control of bond making, a milestone on the way to coherent control of photoinduced bimolecular chemical reactions. In strong-field multiphoton femtosecond photoassociation experiments, we find the yield of detected magnesium dimer molecules to be enhanced for positively chirped pulses and suppressed for negatively chirped pulses. Our ab initio model shows that control is achieved by purification combined with chirp-dependent Raman transitions. Experimental closed-loop phase optimization using a learning algorithm yields an improved pulse that utilizes vibrational coherent dynamics in addition to chirp-dependent Raman transitions. Our results show that coherent control of binary photoreactions is feasible even under thermal conditions.
Gaalop—High Performance Parallel Computing Based on Conformal Geometric Algebra
NASA Astrophysics Data System (ADS)
Hildenbrand, Dietmar; Pitt, Joachim; Koch, Andreas
We present Gaalop (Geometric algebra algorithms optimizer), our tool for high-performance computing based on conformal geometric algebra. The main goal of Gaalop is to realize implementations that are most likely faster than conventional solutions. In order to achieve this goal, our focus is on parallel target platforms like FPGA (field-programmable gate arrays) or the CUDA technology from NVIDIA. We describe the concepts, current status, and future perspectives of Gaalop dealing with optimized software implementations, hardware implementations, and mixed solutions. An inverse kinematics algorithm of a humanoid robot is described as an example.
Geometric and Electronic Structures of Manganese-substituted Iron Superoxide Dismutase
Jackson, Timothy A.; Gutman, Craig T.; Maliekal, James; Miller, Anne-Frances; Brunold, Thomas C.
2013-01-01
The active-site structures of the oxidized and reduced forms of manganese-substituted iron superoxide dismutase (Mn(Fe)SOD) are examined, for the first time, using a combination of spectroscopic and computational methods. On the basis of electronic absorption, circular dichrosim (CD), magnetic CD (MCD), and variable-temperature variable-field MCD data obtained for oxidized Mn(Fe)SOD, we propose that the active site of this species is virtually identical to that of wild-type manganese SOD (MnSOD), both containing a metal ion that resides in a trigonal bipyramidal ligand environment. This proposal is corroborated by quantum mechanical / molecular mechanical (QM/MM) computations performed on complete protein models of Mn(Fe)SOD in both its oxidized and reduced states and, for comparison, wild-type (WT) MnSOD. The major differences between the QM/MM optimized active sites of WT MnSOD and Mn(Fe)SOD are a smaller (His)N–Mn–N(His) equatorial angle and a longer (Gln146(69))NH?O(sol) H-bond distance in the metal-substituted protein. Importantly, these modest geometric differences are consistent with our spectroscopic data obtained for the oxidized proteins and high-field electron paramagnetic resonance spectra reported previously for reduced Mn(Fe)SOD and MnSOD. As Mn(Fe)SOD exhibits a reduction midpoint potential (Em) almost 700 mV higher than that of MnSOD, which has been shown to be sufficient for explaining the lack of SOD activity displayed by the metal-subtituted species (Vance, C. K.; Miller, A. F. Biochemistry 2001, 40, 13079–13087), Ems were computed for our experimentally validated QM/MM optimized models of Mn(Fe)SOD and MnSOD. These computations properly reproduce the experimental trend and reveal that the drastically elevated Em of the metal substituted protein stems from a larger separation between the second-sphere Gln residue and the coordinated solvent in Mn(Fe)SOD relative to MnSOD, which causes a weakening of the corresponding H-bond interaction in the oxidized state and alleviates steric crowding in the reduced state. PMID:23461587
Ozkanlar, Abdullah Zhou, Tiecheng; Clark, Aurora E.
2014-12-07
The definition of a hydrogen bond (H-bond) is intimately related to the topological and dynamic properties of the hydrogen bond network within liquid water. The development of a universal H-bond definition for water is an active area of research as it would remove many ambiguities in the network properties that derive from the fixed definition employed to assign whether a water dimer is hydrogen bonded. This work investigates the impact that an electronic-structure based definition, an energetic, and a geometric definition of the H-bond has upon both topological and dynamic network behavior of simulated water. In each definition, the use of a cutoff (either geometric or energetic) to assign the presence of a H-bond leads to the formation of transiently bonded or broken dimers, which have been quantified within the simulation data. The relative concentration of transient species, and their duration, results in two of the three definitions sharing similarities in either topological or dynamic features (H-bond distribution, H-bond lifetime, etc.), however no two definitions exhibit similar behavior for both classes of network properties. In fact, two networks with similar local network topology (as indicated by similar average H-bonds) can have dramatically different global network topology (as indicated by the defect state distributions) and altered H-bond lifetimes. A dynamics based correction scheme is then used to remove artificially transient H-bonds and to repair artificially broken bonds within the network such that the corrected network exhibits the same structural and dynamic properties for two H-bond definitions (the properties of the third definition being significantly improved). The algorithm described represents a significant step forward in the development of a unified hydrogen bond network whose properties are independent of the original hydrogen bond definition that is employed.
NASA Astrophysics Data System (ADS)
Ozkanlar, Abdullah; Zhou, Tiecheng; Clark, Aurora E.
2014-12-01
The definition of a hydrogen bond (H-bond) is intimately related to the topological and dynamic properties of the hydrogen bond network within liquid water. The development of a universal H-bond definition for water is an active area of research as it would remove many ambiguities in the network properties that derive from the fixed definition employed to assign whether a water dimer is hydrogen bonded. This work investigates the impact that an electronic-structure based definition, an energetic, and a geometric definition of the H-bond has upon both topological and dynamic network behavior of simulated water. In each definition, the use of a cutoff (either geometric or energetic) to assign the presence of a H-bond leads to the formation of transiently bonded or broken dimers, which have been quantified within the simulation data. The relative concentration of transient species, and their duration, results in two of the three definitions sharing similarities in either topological or dynamic features (H-bond distribution, H-bond lifetime, etc.), however no two definitions exhibit similar behavior for both classes of network properties. In fact, two networks with similar local network topology (as indicated by similar average H-bonds) can have dramatically different global network topology (as indicated by the defect state distributions) and altered H-bond lifetimes. A dynamics based correction scheme is then used to remove artificially transient H-bonds and to repair artificially broken bonds within the network such that the corrected network exhibits the same structural and dynamic properties for two H-bond definitions (the properties of the third definition being significantly improved). The algorithm described represents a significant step forward in the development of a unified hydrogen bond network whose properties are independent of the original hydrogen bond definition that is employed.
Chemical bonding for precision optical assemblies
NASA Astrophysics Data System (ADS)
Green, Katie; Burke, Jan; Oreb, Bozenko
2011-02-01
We report on the optimization of precision optical component assemblies for space application with respect to mechanical resilience and retention of optical tolerances such as flatness and angles. Optimized parameters include: the cleaning method of the surfaces to be joined; type, concentration, and quantity of the chemical bonding agent; and post-bonding and curing conditions. Experimental studies and quality assurance are complicated by the large statistical spread in breaking stress, which requires the preparation of a large number of samples. The results previously reported in literature have focused primarily on fused silica, rather than space-qualifiable materials such as Zerodur® and ULE®, and have typically addressed only one or two of the parameters. This study provides a comprehensive picture and a better general understanding of what makes a bond reliably strong.
Optimal domain decomposition strategies
NASA Technical Reports Server (NTRS)
Yoon, Yonghyun; Soni, Bharat K.
1995-01-01
The primary interest of the authors is in the area of grid generation, in particular, optimal domain decomposition about realistic configurations. A grid generation procedure with optimal blocking strategies has been developed to generate multi-block grids for a circular-to-rectangular transition duct. The focus of this study is the domain decomposition which optimizes solution algorithm/block compatibility based on geometrical complexities as well as the physical characteristics of flow field. The progress realized in this study is summarized in this paper.
Palmer, T A; Elmer, J W; Brasher, D; Butler, D; Riddle, R
2005-09-23
An explosive bonding procedure for joining 9.5 mm thick niobium plate to 203 mm thick 6061-T651 Al plate has been developed in order to maximize the bond tensile and impact strengths and the amount of bonded material across the surface of the plate. This procedure improves upon previous efforts, in which the 9.5 mm thick niobium plate is bonded directly to 6061-T4 Al plate. In this improved procedure, thin Nb and Al interlayers are explosively clad between the thicker niobium and aluminum plates. Bonds produced using these optimized parameters display a tensile strength of approximately 255 MPa and an impact strength per unit area of approximately 0.148 J/mm{sup 2}. Specialized mechanical testing geometries and procedures are required to measure these bond properties because of the unique bond geometry. In order to ensure that differences in the thermal expansion coefficients of aluminum and niobium do not adversely affect the bond strength, the effects of thermal cycling at temperatures between -22 C and 45 C on the mechanical properties of these bonds have also been investigated by testing samples in both the as-received and thermal cycled conditions. Based on the results obtained from this series of mechanical tests, thermal cycling is shown to have no adverse effect on the resulting tensile and impact strengths of the bonds produced using the optimized bonding parameters.
Bonded semiconductor substrate
Atwater, Jr.; Harry A. (South Pasadena, CA), Zahler; James M. (Pasadena, CA)
2010-07-13
Ge/Si and other nonsilicon film heterostructures are formed by hydrogen-induced exfoliation of the Ge film which is wafer bonded to a cheaper substrate, such as Si. A thin, single-crystal layer of Ge is transferred to Si substrate. The bond at the interface of the Ge/Si heterostructures is covalent to ensure good thermal contact, mechanical strength, and to enable the formation of an ohmic contact between the Si substrate and Ge layers. To accomplish this type of bond, hydrophobic wafer bonding is used, because as the invention demonstrates the hydrogen-surface-terminating species that facilitate van der Waals bonding evolves at temperatures above 600.degree. C. into covalent bonding in hydrophobically bound Ge/Si layer transferred systems.
System analysis through bond graph modeling
NASA Astrophysics Data System (ADS)
McBride, Robert Thomas
2005-07-01
Modeling and simulation form an integral role in the engineering design process. An accurate mathematical description of a system provides the design engineer the flexibility to perform trade studies quickly and accurately to expedite the design process. Most often, the mathematical model of the system contains components of different engineering disciplines. A modeling methodology that can handle these types of systems might be used in an indirect fashion to extract added information from the model. This research examines the ability of a modeling methodology to provide added insight into system analysis and design. The modeling methodology used is bond graph modeling. An investigation into the creation of a bond graph model using the Lagrangian of the system is provided. Upon creation of the bond graph, system analysis is performed. To aid in the system analysis, an object-oriented approach to bond graph modeling is introduced. A framework is provided to simulate the bond graph directly. Through object-oriented simulation of a bond graph, the information contained within the bond graph can be exploited to create a measurement of system efficiency. A definition of system efficiency is given. This measurement of efficiency is used in the design of different controllers of varying architectures. Optimal control of a missile autopilot is discussed within the framework of the calculated system efficiency.
Rapid bonding of Pyrex glass microchips.
Akiyama, Yoshitake; Morishima, Keisuke; Kogi, Atsuna; Kikutani, Yoshikuni; Tokeshi, Manabu; Kitamori, Takehiko
2007-03-01
A newly developed vacuum hot press system has been specially designed for the thermal bonding of glass substrates in the fabrication process of Pyrex glass microchemical chips. This system includes a vacuum chamber equipped with a high-pressure piston cylinder and carbon plate heaters. A temperature of up to 900 degrees C and a force of as much as 9800 N could be applied to the substrates in a vacuum atmosphere. The Pyrex substrates bonded with this system under different temperatures, pressures, and heating times were evaluated by tensile strength tests, by measurements of thickness, and by observations of the cross-sectional shapes of the microchannels. The optimal bonding conditions of the Pyrex glass substrates were 570 degrees C for 10 min under 4.7 N/mm(2) of applied pressure. Whereas more than 16 h is required for thermal bonding with a conventional furnace, the new system could complete the whole bonding processes within just 79 min, including heating and cooling periods. Such improvements should considerably enhance the production rate of Pyrex glass microchemical chips. Whereas flat and dust-free surfaces are required for conventional thermal bonding, especially without long and repeated heating periods, our hot press system could press a fine dust into glass substrates so that even the areas around the dust were bonded. Using this capability, we were able to successfully integrate Pt/Ti thin film electrodes into a Pyrex glass microchip. PMID:17370301
NASA Technical Reports Server (NTRS)
Plueddemann, E.
1986-01-01
Primers employed in bonding together the various material interfaces in a photovoltaic module are being developed. The approach develops interfacial adhesion by generating actual chemical bonds between the various materials bonded together. The current status of the program is described along with the progress toward developing two general purpose primers for ethylene vinyl acetate (EVA), one for glass and metals, and another for plastic films.
NASA Technical Reports Server (NTRS)
Smith, G. C.
1972-01-01
To eliminate many of the present termination problems a technique called energy pulse bonding (EPB) was developed. The process demonstrated the capability of: (1) joining conductors without prior removal of insulations, (2) joining conductors without danger of brittle intermetallics, (3) increased joint temperature capability, (4) simultaneous formation of several bonds, (5) capability of higher joint density, and (6) a production oriented process. The following metals were successfully bonded in the solid state: copper, beryllium copper, phosphor bronze, aluminum, brass, and Kovar.
Geometric quantum discord under noisy environment
NASA Astrophysics Data System (ADS)
Huang, Zhiming; Qiu, Daowen
2016-02-01
In this work, we mainly analyze the dynamics of geometric quantum discord under a common dissipating environment. Our results indicate that geometric quantum discord is generated when the initial state is a product state. The geometric quantum discord increases from zero to a stable value with the increasing time, and the variations of stable values depend on the system size. For different initial product states, geometric quantum discord has some different behaviors in contrast with entanglement. For initial maximally entangled state, it is shown that geometric quantum discord decays with the increasing dissipated time. It is found that for EPR state, entanglement is more robust than geometric quantum discord, which is a sharp contrast to the existing result that quantum discord is more robust than entanglement in noisy environments. However, for GHZ state and W state, geometric quantum discord is more stable than entanglement. By the comparison of quantum discord and entanglement, we find that a common dissipating environment brings complicated effects on quantum correlation, which may deepen our understanding of physical impacts of decohering environment on quantum correlation. In the end, we analyze the effects of collective dephasing noise and rotating noise to a class of two-qubit X states, and we find that quantum correlation is not altered by the collective noises.
On geometric factors for neutral particle analyzers
Stagner, L.; Heidbrink, W. W.
2014-11-15
Neutral particle analyzers (NPA) detect neutralized energetic particles that escape from plasmas. Geometric factors relate the counting rate of the detectors to the intensity of the particle source. Accurate geometric factors enable quick simulation of geometric effects without the need to resort to slower Monte Carlo methods. Previously derived expressions [G. R. Thomas and D. M. Willis, â€œAnalytical derivation of the geometric factor of a particle detector having circular or rectangular geometry,â€ J. Phys. E: Sci. Instrum. 5(3), 260 (1972); J. D. Sullivan, â€œGeometric factor and directional response of single and multi-element particle telescopes,â€ Nucl. Instrum. Methods 95(1), 5â€“11 (1971)] for the geometric factor implicitly assume that the particle source is very far away from the detector (far-field); this excludes applications close to the detector (near-field). The far-field assumption does not hold in most fusion applications of NPA detectors. We derive, from probability theory, a generalized framework for deriving geometric factors that are valid for both near and far-field applications as well as for non-isotropic sources and nonlinear particle trajectories.
On geometric factors for neutral particle analyzers
NASA Astrophysics Data System (ADS)
Stagner, L.; Heidbrink, W. W.
2014-11-01
Neutral particle analyzers (NPA) detect neutralized energetic particles that escape from plasmas. Geometric factors relate the counting rate of the detectors to the intensity of the particle source. Accurate geometric factors enable quick simulation of geometric effects without the need to resort to slower Monte Carlo methods. Previously derived expressions [G. R. Thomas and D. M. Willis, "Analytical derivation of the geometric factor of a particle detector having circular or rectangular geometry," J. Phys. E: Sci. Instrum. 5(3), 260 (1972); J. D. Sullivan, "Geometric factor and directional response of single and multi-element particle telescopes," Nucl. Instrum. Methods 95(1), 5-11 (1971)] for the geometric factor implicitly assume that the particle source is very far away from the detector (far-field); this excludes applications close to the detector (near-field). The far-field assumption does not hold in most fusion applications of NPA detectors. We derive, from probability theory, a generalized framework for deriving geometric factors that are valid for both near and far-field applications as well as for non-isotropic sources and nonlinear particle trajectories.
On geometric factors for neutral particle analyzers.
Stagner, L; Heidbrink, W W
2014-11-01
Neutral particle analyzers (NPA) detect neutralized energetic particles that escape from plasmas. Geometric factors relate the counting rate of the detectors to the intensity of the particle source. Accurate geometric factors enable quick simulation of geometric effects without the need to resort to slower Monte Carlo methods. Previously derived expressions [G. R. Thomas and D. M. Willis, "Analytical derivation of the geometric factor of a particle detector having circular or rectangular geometry," J. Phys. E: Sci. Instrum. 5(3), 260 (1972); J. D. Sullivan, "Geometric factor and directional response of single and multi-element particle telescopes," Nucl. Instrum. Methods 95(1), 5-11 (1971)] for the geometric factor implicitly assume that the particle source is very far away from the detector (far-field); this excludes applications close to the detector (near-field). The far-field assumption does not hold in most fusion applications of NPA detectors. We derive, from probability theory, a generalized framework for deriving geometric factors that are valid for both near and far-field applications as well as for non-isotropic sources and nonlinear particle trajectories. PMID:25430216
Mirror profile optimization for nano-focusing KB mirror
Zhang Lin; Baker, Robert; Barrett, Ray; Cloetens, Peter; Dabin, Yves
2010-06-23
A KB focusing mirror width profile has been optimized to achieve nano-focusing for the nano-imaging end-station ID22NI at the ESRF. The complete mirror and flexure bender assembly has been modeled in 3D with finite element analysis using ANSYS. Bender stiffness, anticlastic effects and geometrical non-linear effects have been considered. Various points have been studied: anisotropy and crystal orientation, stress in the mirror and bender, actuator resolution and the mirror-bender adhesive bonding... Extremely high performance of the mirror is expected with residual slope error smaller than 0.6 {mu}rad, peak-to-valley, compared to the bent slope of 3000 {mu}rad.
NASA Astrophysics Data System (ADS)
Demaison, Jean; Császár, Attila G.
2012-09-01
Based on a sample of 38 molecules, 47 accurate equilibrium CO bond lengths have been collected and analyzed. These ultimate experimental (reEX), semiexperimental (reSE), and Born-Oppenheimer (reBO) equilibrium structures are compared to reBO estimates from two lower-level techniques of electronic structure theory, MP2(FC)/cc-pVQZ and B3LYP/6-311+G(3df,2pd). A linear relationship is found between the best equilibrium bond lengths and their MP2 or B3LYP estimates. These (and similar) linear relationships permit to estimate the CO bond length with an accuracy of 0.002 Å within the full range of 1.10-1.43 Å, corresponding to single, double, and triple CO bonds, for a large number of molecules. The variation of the CO bond length is qualitatively explained using the Atoms in Molecules method. In particular, a nice correlation is found between the CO bond length and the bond critical point density and it appears that the CO bond is at the same time covalent and ionic. Conditions which permit the computation of an accurate ab initio Born-Oppenheimer equilibrium structure are discussed. In particular, the core-core and core-valence correlation is investigated and it is shown to roughly increase with the bond length.
Geometric Gyrokinetic Theory for Edge Plasma
Qin, H; Cohen, R H; Nevins, W M; Xu, X Q
2007-01-18
It turns out that gyrokinetic theory can be geometrically formulated as special cases of a geometrically generalized Vlasov-Maxwell system. It is proposed that the phase space of the spacetime is a 7-dimensional fiber bundle P over the 4-dimensional spacetime M, and that a Poincare-Cartan-Einstein 1-form {gamma} on the 7-dimensional phase space determines particles worldlines in the phase space. Through Liouville 6-form {Omega} and fiber integral, the 1-form {gamma} also uniquely defines a geometrically generalized Vlasov-Maxwell system as a field theory for the collective electromagnetic field. The geometric gyrokinetic theory is then developed as a special case of the geometrically generalized Vlasov-Maxwell system. In its most general form, gyrokinetic theory is about a symmetry, called gyro-symmetry, for magnetized plasmas, and the 1-form {gamma} again uniquely defines the gyro-symmetry. The objective is to decouple the gyro-phase dynamics from the rest of particle dynamics by finding the gyro-symmetry in {gamma}. Compared with other methods of deriving the gyrokinetic equations, the advantage of the geometric approach is that it allows any approximation based on mathematical simplification or physical intuition to be made at the 1-form level, and yet the field theories still have the desirable exact conservation properties such as phase space volume conservation and energy-momentum conservation if the 1-form does not depend on the spacetime coordinate explicitly. A set of generalized gyrokinetic equations valid for the edge plasmas is then derived using this geometric method. This formalism allows large-amplitude, time-dependent background electromagnetic fields to be developed fully nonlinearly in addition to small-amplitude, short-wavelength electromagnetic perturbations. The fact that we adopted the geometric method in the present study does not necessarily imply that the major results reported here can not be achieved using classical methods. What the geometric method offers is a systematic treatment and simplified calculations.
Geometric gyrokinetic theory for edge plasmas
Qin, H.; Cohen, R. H.; Nevins, W. M.; Xu, X. Q.
2007-05-15
It turns out that gyrokinetic theory can be geometrically formulated as a special case of a geometrically generalized Vlasov-Maxwell system. It is proposed that the phase space of the space-time is a seven-dimensional fiber bundle P over the four-dimensional space-time M, and that a Poincare-Cartan-Einstein 1-form {gamma} on the seven-dimensional phase space determines a particle's worldline in the phase space. Through Liouville 6-form {omega} and fiber integral, the 1-form {gamma} also uniquely defines a geometrically generalized Vlasov-Maxwell system as a field theory for the collective electromagnetic field. The geometric gyrokinetic theory is then developed as a special case of the geometrically generalized Vlasov-Maxwell system. In its most general form, gyrokinetic theory is about a symmetry, called gyrosymmetry, for magnetized plasmas, and the 1-form {gamma} again uniquely defines the gyrosymmetry. The objective is to decouple the gyrophase dynamics from the rest of the particle dynamics by finding the gyrosymmetry in {gamma}. Compared to other methods of deriving the gyrokinetic equations, the advantage of the geometric approach is that it allows any approximation based on mathematical simplification or physical intuition to be made at the 1-form level, and yet the field theories still have the desirable exact conservation properties, such as phase space volume conservation and energy-momentum conservation if the 1-form does not depend on the space-time coordinate explicitly. A set of generalized gyrokinetic equations valid for the edge plasmas is then derived using this geometric method. This formalism allows large-amplitude, time-dependent background electromagnetic fields to be developed fully nonlinearly in addition to small-amplitude, short-wavelength electromagnetic perturbations. The fact that we adopted the geometric method in the present study does not necessarily imply that the major results reported here cannot be achieved using classical methods. What the geometric method offers is a systematic treatment and simplified calculations.
The role of bond tangency and bond gap in hard sphere crystallization of chains.
Karayiannis, Nikos Ch; Foteinopoulou, Katerina; Laso, Manuel
2015-03-01
We report results from Monte Carlo simulations on dense packings of linear, freely-jointed chains of hard spheres of uniform size. In contrast to our past studies where bonded spheres along the chain backbone were tangent, in the present work a finite tolerance in the bond is allowed. Bond lengths are allowed to fluctuate in the interval [?, ? + dl], where ? is the sphere diameter. We find that bond tolerance affects the phase behaviour of hard-sphere chains, especially in the close vicinity of the melting transition. First, a critical dl(crit) exists marking the threshold for crystallization, whose value decreases with increasing volume fraction. Second, bond gaps enhance the onset of phase transition by accelerating crystal nucleation and growth. Finally, bond tolerance has an effect on crystal morphologies: in the tangent limit the majority of structures correspond to stack-faulted random hexagonal close packing (rhcp). However, as bond tolerance increases a wealth of diverse structures can be observed: from single fcc (or hcp) crystallites to random hcp/fcc stackings with multiple directions. By extending the simulations over trillions of MC steps (10(12)) we are able to observe crystal-crystal transitions and perfection even for entangled polymer chains in accordance to the Ostwald's rule of stages in crystal polymorphism. Through simple geometric arguments we explain how the presence of rigid or flexible constraints affects crystallization in general atomic and particulate systems. Based on the present results, it can be concluded that proper tuning of bond gaps and of the connectivity network can be a controlling factor for the phase behaviour of model, polymer-based colloidal and granular systems. PMID:25594158
A geometric morphometric assessment of the optic cup in glaucoma.
Sanfilippo, Paul G; Cardini, Andrea; Sigal, Ian A; Ruddle, Jonathan B; Chua, Brian E; Hewitt, Alex W; Mackey, David A
2010-09-01
The morphologic appearance of the optic disc is of interest in glaucoma. In contrast to descriptive classification systems that are currently used, a quantitative approach to the analysis of optic disc morphology is required. Our goal was to determine the optimal method for quantifying optic cup shape by comparing traditional (ovality, form-factor and neuroretinal rim (NRR) width ratio) and geometric morphometric approaches. Left optic disc stereophotographs of 160 (80 normal and 80 glaucomatous (stratified by severity)) subjects were examined. The optic cup margins were stereoscopically delineated with a custom tracing system and saved as a series of discrete points. The geometric morphometric methods of elliptic Fourier analysis (EFA) and sliding semi-landmark analysis (SSLA) were used to eliminate variation unrelated to shape (e.g. size) and yield a series of shape variables. Differences in optic cup shape between normal and glaucoma groups were investigated. Discriminant functions were computed and the sensitivity and specificity of each technique determined. Receiver operator characteristic (ROC) curves were calculated for all methods and evaluated in their potential to discriminate between normal and glaucomatous eyes based on the shape variables. All geometric morphometric methods revealed differences between normal and glaucomatous eyes in optic cup shape, in addition to the traditional parameters of ovality, form-factor and NRR width ratio (p<0.0005). SSLA (minimum bending energy criterion--18 points) had the best sensitivity (83%) and area under the curve (AUC) (0.91). EFA (72 points) performed similarly well (74%, 0.89) as did the set of traditional shape-based variables (76%, 0.86). This study demonstrated that a geometric morphometric approach for discriminating between normal and glaucomatous eyes in optic cup shape is superior to that provided by traditional single parameter shape measures. Such analytical techniques could be incorporated into future automated optic disc screening modalities. PMID:20599965
Thermodynamics of water structural reorganization due to geometric confinement
NASA Astrophysics Data System (ADS)
Stroberg, Wylie; Lichter, Seth
2015-03-01
Models of aqueous solvation have successfully quantified the behavior of water near convex bodies. However, many important processes occurring in aqueous solution involve interactions between solutes and surfaces with complicated non-convex geometries. Examples include the folding of proteins, hydrophobic association of solutes, ligand-receptor binding, and water confined within nanotubes and pores. For these geometries, models for solvation of convex bodies fail to account for the added interactions associated with structural confinement. Due to water's propensity to form networks of hydrogen bonds, small alterations to the confining geometry can induce large structural rearrangement within the water. We perform systematic Monte Carlo simulations of water confined to cylindrical cavities of varying aspect ratio to investigate how small geometric changes to the confining geometry may cause large changes to the structure and thermodynamic state of water. Using the Wang-Landau algorithm, we obtain free energies, enthalpies, entropies, and heat capacities across a broad range of temperatures, and show how these quantities are influenced by the structural rearrangement of water molecules due to geometric perturbations.
Yusupov, Marat; Yusupova, Gulnara
2014-01-01
The natural bases of nucleic acids have a strong preference for one tautomer form, guaranteeing fidelity in their hydrogen bonding potential. However, base pairs observed in recent crystal structures of polymerases and ribosomes are best explained by an alternative base tautomer, leading to the formation of base pairs with Watson-Crick-like geometries. These observations set limits to geometric selection in molecular recognition of complementary Watson-Crick pairs for fidelity in replication and translation processes. PMID:24765524
The Pentagon Problem: Geometric Reasoning with Technology.
ERIC Educational Resources Information Center
Zbiek, Rose Mary
1996-01-01
Presents an activity, involving pentagons and using a figure manipulator such as The Geometer's Sketchpad, that requires students to reason geometrically without making unsubstantiated assumptions based on diagrams. (MKR)
The perception of geometrical structure from congruence
NASA Technical Reports Server (NTRS)
Lappin, Joseph S.; Wason, Thomas D.
1989-01-01
The principle function of vision is to measure the environment. As demonstrated by the coordination of motor actions with the positions and trajectories of moving objects in cluttered environments and by rapid recognition of solid objects in varying contexts from changing perspectives, vision provides real-time information about the geometrical structure and location of environmental objects and events. The geometric information provided by 2-D spatial displays is examined. It is proposed that the geometry of this information is best understood not within the traditional framework of perspective trigonometry, but in terms of the structure of qualitative relations defined by congruences among intrinsic geometric relations in images of surfaces. The basic concepts of this geometrical theory are outlined.
The geometric phase in nonlinear dissipative systems
Ning, C.Z.; Haken, H. )
1992-10-30
In this paper, the authors review the recent progress made in generalizing the concept of the geometric phase to nonlinear dissipative systems. The authors first illustrate the usual form of the parallel transport law with an elementary example of the parallel shift of a line on the complex plane. Important results about the non-adiabatical geometric (Aharonov and Anandan or AA) phase [sup 18] for the Schrodinger equations are reviewed in order to make a comparison with results for dissipative systems. The authors show that a geometric phase can be defined for dissipative systems with the cyclic attractors. Systems undergoing the Hopf bifurcation with a continuous symmetry are shown to possess such cyclic attractors. Examples from laser physics are discussed to exhibit the applicability of our formalism and the widespread existence of the geometric phase in dissipative systems.
Surgical correction of gynecomastia: a geometric approach.
Martin, Antony E; Olinger, Thomas A; Yu, Jack C
2015-05-01
Many techniques are available for surgical correction of gynecomastia. In this article, we describe a technique based on geometrical principles that is simple to execute, effective, highly reproducible, and relies less on intuition of the surgeon. PMID:25919255
Geometric symmetries in superfluid vortex dynamics
Kozik, Evgeny; Svistunov, Boris
2010-10-01
Dynamics of quantized vortex lines in a superfluid feature symmetries associated with the geometric character of the complex-valued field, w(z)=x(z)+iy(z), describing the instant shape of the line. Along with a natural set of Noether's constants of motion, which - apart from their rather specific expressions in terms of w(z) - are nothing but components of the total linear and angular momenta of the fluid, the geometric symmetry brings about crucial consequences for kinetics of distortion waves on the vortex lines, the Kelvin waves. It is the geometric symmetry that renders Kelvin-wave cascade local in the wave-number space. Similar considerations apply to other systems with purely geometric degrees of freedom.
ERIC Educational Resources Information Center
Pearce, Joseph Chilton
1994-01-01
Examines the nature of mother-child bonding from the prenatal stage through early infancy, discussing how the mother's actions, even before birth, stimulate her child's senses. Explains the crucial role that physical contact, breastfeeding, and visual stimuli have on mother-child bonding in human and animal newborns. (MDM)
ERIC Educational Resources Information Center
Sanderson, R. T.
1972-01-01
Chemical bonding is discussed from a bond energy, rather than a wave mechanics, viewpoint. This approach is considered to be more suitable for the average student. (The second part of the article will appear in a later issue of the journal.) (AL)
ERIC Educational Resources Information Center
Bank, Stephen P.; Kahn, Michael D.
The relationships among brothers and sisters are infinitely varied, but whatever their characteristics, these bonds last throughout life. This book examines the sibling relationship as a distinctive emotional, passionate, painful, and solacing power. Chapter 1, "Unraveling the Sibling Bond," addresses research on siblings and development of the…
Gordon, Nirit
2013-01-01
Dissociation leaves a psychic void and a lingering sense of psychic absence. How do 2 people bond while they are both suffering from dissociation? The author explores the notion of a dissociative bond that occurs in the aftermath of trauma--a bond that holds at its core an understanding and shared detachment from the self. Such a bond is confined to unspoken terms that are established in the relational unconscious. The author proposes understanding the dissociative bond as a transitional space that may not lead to full integration of dissociated knowledge yet offers some healing. This is exemplified by R. Prince's (2009) clinical case study. A relational perspective is adopted, focusing on the intersubjective aspects of a dyadic relationship. In the dissociative bond, recognition of the need to experience mutual dissociation can accommodate a psychic state that yearns for relationship when the psyche cannot fully confront past wounds. Such a bond speaks to the need to reestablish a sense of human relatedness and connection when both parties in the relationship suffer from disconnection. This bond is bound to a silence that becomes both a means of protection against the horror of traumatic memory and a way to convey unspoken gestures toward the other. PMID:23282044
Planning Successful Bond Campaigns.
ERIC Educational Resources Information Center
North Carolina State Dept. of Public Instruction, Raleigh. Div. of School Support.
This document contains specific recommendations for conducting bond campaigns. It outlines the three major considerations of any bond campaign: (1) committee organization and appointment; (2) time lines; and (3) getting out the vote. The publication focuses on the need for total community involvement and outlines some of the components forâ€¦
Efficient hyperspectral image segmentation using geometric active contour formulation
NASA Astrophysics Data System (ADS)
Albalooshi, Fatema A.; Sidike, Paheding; Asari, Vijayan K.
2014-10-01
In this paper, we present a new formulation of geometric active contours that embeds the local hyperspectral image information for an accurate object region and boundary extraction. We exploit self-organizing map (SOM) unsupervised neural network to train our model. The segmentation process is achieved by the construction of a level set cost functional, in which, the dynamic variable is the best matching unit (BMU) coming from SOM map. In addition, we use Gaussian filtering to discipline the deviation of the level set functional from a signed distance function and this actually helps to get rid of the re-initialization step that is computationally expensive. By using the properties of the collective computational ability and energy convergence capability of the active control models (ACM) energy functional, our method optimizes the geometric ACM energy functional with lower computational time and smoother level set function. The proposed algorithm starts with feature extraction from raw hyperspectral images. In this step, the principal component analysis (PCA) transformation is employed, and this actually helps in reducing dimensionality and selecting best sets of the significant spectral bands. Then the modified geometric level set functional based ACM is applied on the optimal number of spectral bands determined by the PCA. By introducing local significant spectral band information, our proposed method is capable to force the level set functional to be close to a signed distance function, and therefore considerably remove the need of the expensive re-initialization procedure. To verify the effectiveness of the proposed technique, we use real-life hyperspectral images and test our algorithm in varying textural regions. This framework can be easily adapted to different applications for object segmentation in aerial hyperspectral imagery.
Bond energy effects on strength, cooperativity and robustness of molecular structures
Chou, Chia-Ching; Buehler, Markus J.
2011-01-01
A fundamental challenge in engineering biologically inspired materials and systems is the identification of molecular structures that define fundamental building blocks. Here, we report a systematic study of the effect of the energy of chemical bonds on the mechanical properties of molecular structures, specifically, their strength and robustness. By considering a simple model system of an assembly of bonds in a cluster, we demonstrate that weak bonding, as found for example in H-bonds, results in a highly cooperative behaviour where clusters of bonds operate synergistically to form relatively strong molecular clusters. The cooperative effect of bonding results in an enhanced robustness since the drop of strength owing to the loss of a bond in a larger cluster only results in a marginal reduction of the strength. Strong bonding, as found in covalent interactions such as disulphide bonds or in the backbone of proteins, results in a larger mechanical strength. However, the ability for bonds to interact cooperatively is lost, and, as a result, the overall robustness is lower since the mechanical strength hinges on individual bonds rather than a cluster of bonds. The systematic analysis presented here provides general insight into the interplay of bond energy, robustness and other geometric parameters such as bond spacing. We conclude our analysis with a correlation of structural data of natural protein structures, which confirms the conclusions derived from our study. PMID:23050078
Machine Learning and Geometric Technique for SLAM
NASA Astrophysics Data System (ADS)
Bernal-Marin, Miguel; Bayro-Corrochano, Eduardo
This paper describes a new approach for building 3D geometric maps using a laser rangefinder, a stereo camera system and a mathematical system the Conformal Geometric Algebra. The use of a known visual landmarks in the map helps to carry out a good localization of the robot. A machine learning technique is used for recognition of objects in the environment. These landmarks are found using the Viola and Jones algorithm and are represented with their position in the 3D virtual map.
Geometrical expression of excess entropy production.
Sagawa, Takahiro; Hayakawa, Hisao
2011-11-01
We derive a geometrical expression of the excess entropy production for quasistatic transitions between nonequilibrium steady states of Markovian jump processes, which can be exactly applied to nonlinear and nonequilibrium situations. The obtained expression is geometrical; the excess entropy production depends only on a trajectory in the parameter space, analogous to the Berry phase in quantum mechanics. Our results imply that vector potentials are needed to construct the thermodynamics of nonequilibrium steady states. PMID:22181372
The Geometric Grids of the Hieratic Numeral.
NASA Astrophysics Data System (ADS)
Aboulfotouh, Hossam M. K.
The paper discusses the geometrical designs of the hieratic numeral signs. It shows the regular-grid-patterns of squares upon which, the shapes of the already decoded hieratic numeral-signs, have been designed. Also, it shows the design of some hieratic numeral signs, based on subdividing the circle; and the hieratic signs of modular notation. It might reveal the basic geometrical level of understanding of anonymous ancient Egyptians who designed them some four thousand years ago.
Metrology method of cylindricity error based on new geometrical product specification
NASA Astrophysics Data System (ADS)
Zheng, Peng; Guo, Hongwei; Zhang, Linna
2008-11-01
New Geometrical Product Specification (GPS) developed by the ISO/TC213 is a series of macro and micro geometrical specification for the design and manufacture of products. According to the digitized theoretical foundation of new GPS, the important essential relationship between operations and cylindricity error is given. On the base of new GPS, verification operators to certain the benchmark for cylindricity error evaluation are constructed. In term of the minimum condition principle, the mathematical model of the cylindricity error and the optimal objective function are given, and then the modified simplex algorithm is used to search for the optimal solution of cylindricity error. In this paper an experimental example is presented, and the evaluation results verify the feasibility of proposed method. Furthermore, it is shown that the digital metrology method based on GPS is critical in realizing the digitalization, standardization and high efficiency of geometrical error evaluation.
Sebastian, S; Sylvestre, S; Jayarajan, D; Amalanathan, M; Oudayakumar, K; Gnanapoongothai, T; Jayavarthanan, T
2013-01-15
In this work, we report harmonic vibrational frequencies, molecular structure, NBO and HOMO, LUMO analysis of Umbelliferone also known as 7-hydroxycoumarin (7HC). The optimized geometric bond lengths and bond angles obtained by computation (monomer and dimmer) shows good agreement with experimental XRD data. Harmonic frequencies of 7HC were determined and analyzed by DFT utilizing 6-311+G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The change in electron density (ED) in the ?* and ?* antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyperconjugation of hydrogen-bonded interaction. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) complements with the experimental findings. The simulated spectra satisfactorily coincides with the experimental spectra. Microbial activity of studied compounds was tested against Staphylococcus aureus, Streptococcus pyogenes, Bacillus subtilis, Escherichia coli, Psuedomonas aeruginosa, Klebsiella pneumoniae, Proteus mirabilis, Shigella flexneri, Salmonella typhi and Enterococcus faecalis. PMID:23123244
NASA Astrophysics Data System (ADS)
Sebastian, S.; Sylvestre, S.; Jayarajan, D.; Amalanathan, M.; Oudayakumar, K.; Gnanapoongothai, T.; Jayavarthanan, T.
2013-01-01
In this work, we report harmonic vibrational frequencies, molecular structure, NBO and HOMO, LUMO analysis of Umbelliferone also known as 7-hydroxycoumarin (7HC). The optimized geometric bond lengths and bond angles obtained by computation (monomer and dimmer) shows good agreement with experimental XRD data. Harmonic frequencies of 7HC were determined and analyzed by DFT utilizing 6-311+G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The change in electron density (ED) in the Ïƒ* and Ï€* antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyperconjugation of hydrogen-bonded interaction. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) complements with the experimental findings. The simulated spectra satisfactorily coincides with the experimental spectra. Microbial activity of studied compounds was tested against Staphylococcus aureus, Streptococcus pyogenes, Bacillus subtilis, Escherichia coli, Psuedomonas aeruginosa, Klebsiella pneumoniae, Proteus mirabilis, Shigella flexneri, Salmonella typhi and Enterococcus faecalis.
NASA Technical Reports Server (NTRS)
Pontius, James T. (Inventor)
2010-01-01
The present invention is directed to a method of bonding at least two surfaces together. The methods step of the present invention include applying a strip of adhesive to a first surface along a predefined outer boundary of a bond area and thereby defining a remaining open area there within. A second surface, or gusset plate, is affixed onto the adhesive before the adhesive cures. The strip of adhesive is allowed to cure and then a second amount of adhesive is applied to cover the remaining open area and substantially fill a void between said first and second surfaces about said bond area. A stencil may be used to precisely apply the strip of adhesive. When the strip cures, it acts as a dam to prevent overflow of the subsequent application of adhesive to undesired areas. The method results in a precise bond area free of undesired shapes and of a preferred profile which eliminate the drawbacks of the prior art bonds.
NASA Technical Reports Server (NTRS)
1989-01-01
A joint development program between Hartford Steam Boiler Inspection Technologies and The Weyerhaeuser Company resulted in an internal bond analyzer (IBA), a device which combines ultrasonics with acoustic emission testing techniques. It is actually a spinoff from a spinoff, stemming from a NASA Lewis invented acousto-ultrasonic technique that became a system for testing bond strength of composite materials. Hartford's parent company, Acoustic Emission Technology Corporation (AET) refined and commercialized the technology. The IBA builds on the original system and incorporates on-line process control systems. The IBA determines bond strength by measuring changes in pulsar ultrasonic waves injected into a board. Analysis of the wave determines the average internal bond strength for the panel. Results are displayed immediately. Using the system, a mill operator can adjust resin/wood proportion, reduce setup time and waste, produce internal bonds of a consistent quality and automatically mark deficient products.
BauzÃ¡, Antonio; Mooibroek, Tiddo J; Frontera, Antonio
2016-02-01
Tetrel (Tr) bonding is first placed into perspective as a Ïƒ-hole bonding interaction with atoms of the Tr family. An sp(3) R4 Tr unit has four Ïƒ-holes with which a Lewis base can form a complex. We then highlight some inspiring crystal structures where Tr bonding is obvious, followed by an account of our own work. We have shown that Tr bonding is ubiquitous in the solid state and we have highlighted that Tr bonding with carbon is possible when C is placed in the appropriate chemical context. We hope that this account serves as an initial guide and source of inspiration for others wishing to exploit this vastly underexplored interaction. PMID:26814022
Ultrasonically bonded value assembly
NASA Technical Reports Server (NTRS)
Salvinski, R. J. (inventor)
1975-01-01
A valve apparatus capable of maintaining a fluid-tight seal over a relatively long period of time by releasably bonding a valve member to its seat is described. The valve member is bonded or welded to the seat and then released by the application of the same energy to the bond joint. The valve member is held in place during the bonding by a clamping device. An appropriate force device can activate the opening and closing of the valve member. Various combinations of material for the valve member and valve seat can be utilized to provide an adequate sealing bond. Aluminum oxide, stainless steel, inconel, tungsten carbide as hard materials and copper, aluminum, titanium, silver, and gold as soft materials are suggested.
Activation of C-H and B-H bonds through agostic bonding: an ELF/QTAIM insight.
Zins, Emilie-Laure; Silvi, Bernard; Alikhani, M Esmaïl
2015-04-14
Agostic bonding is of paramount importance in C-H bond activation processes. The reactivity of the ? C-H bond thus activated will depend on the nature of the metallic center, the nature of the ligand involved in the interaction and co-ligands, as well as on geometric parameters. Because of their importance in organometallic chemistry, a qualitative classification of agostic bonding could be very much helpful. Herein we propose descriptors of the agostic character of bonding based on the electron localization function (ELF) and Quantum Theory of Atoms in Molecules (QTAIM) topological analysis. A set of 31 metallic complexes taken, or derived, from the literature was chosen to illustrate our methodology. First, some criteria should prove that an interaction between a metallic center and a ? X-H bond can indeed be described as "agostic" bonding. Then, the contribution of the metallic center in the protonated agostic basin, in the ELF topological description, may be used to evaluate the agostic character of bonding. A ? X-H bond is in agostic interaction with a metal center when the protonated X-H basin is a trisynaptic basin with a metal contribution strictly larger than the numerical uncertainty, i.e. 0.01 e. In addition, it was shown that the weakening of the electron density at the X-Hagostic bond critical point with respect to that of X-Hfree well correlates with the lengthening of the agostic X-H bond distance as well as with the shift of the vibrational frequency associated with the ?X-H stretching mode. Furthermore, the use of a normalized parameter that takes into account the total population of the protonated basin, allows the comparison of the agostic character of bonding involved in different complexes. PMID:25760795
Graphene geometric diodes for terahertz rectennas
NASA Astrophysics Data System (ADS)
Zhu, Zixu; Joshi, Saumil; Grover, Sachit; Moddel, Garret
2013-05-01
We demonstrate a new thin-film graphene diode called a geometric diode that relies on geometric asymmetry to provide rectification at 28 THz. The geometric diode is coupled to an optical antenna to form a rectenna that rectifies incoming radiation. This is the first reported graphene-based antenna-coupled diode working at 28 THz, and potentially at optical frequencies. The planar structure of the geometric diode provides a low RC time constant, on the order of 10-15 s, required for operation at optical frequencies, and a low impedance for efficient power transfer from the antenna. Fabricated geometric diodes show asymmetric current-voltage characteristics consistent with Monte Carlo simulations for the devices. Rectennas employing the geometric diode coupled to metal and graphene antennas rectify 10.6 Âµm radiation, corresponding to an operating frequency of 28 THz. The graphene bowtie antenna is the first demonstrated functional antenna made using graphene. Its response indicates that graphene is a suitable terahertz resonator material. Applications for this terahertz diode include terahertz-wave and optical detection, ultra-high-speed electronics and optical power conversion.
Geometrically invariant watermarking using feature points.
Bas, Patrick; Chassery, Jean-Marc; Macq, Benoît
2002-01-01
This paper presents a new approach for watermarking of digital images providing robustness to geometrical distortions. The weaknesses of classical watermarking methods to geometrical distortions are outlined first. Geometrical distortions can be decomposed into two classes: global transformations such as rotations and translations and local transformations such as the StirMark attack. An overview of existing self-synchronizing schemes is then presented. Theses schemes can use periodical properties of the mark, invariant properties of transforms, template insertion, or information provided by the original image to counter geometrical distortions. Thereafter, a new class of watermarking schemes using the image content is presented. We propose an embedding and detection scheme where the mark is bound with a content descriptor defined by salient points. Three different types of feature points are studied and their robustness to geometrical transformations is evaluated to develop an enhanced detector. The embedding of the signature is done by extracting feature points of the image and performing a Delaunay tessellation on the set of points. The mark is embedded using a classical additive scheme inside each triangle of the tessellation. The detection is done using correlation properties on the different triangles. The performance of the presented scheme is evaluated after JPEG compression, geometrical attack and transformations. Results show that the fact that the scheme is robust to these different manipulations. Finally, in our concluding remarks, we analyze the different perspectives of such content-based watermarking scheme. PMID:18249723
Optimization of piezoelectric bistable composite plates for broadband vibrational energy harvesting
NASA Astrophysics Data System (ADS)
Betts, David N.; Kim, H. Alicia; Bowen, Christopher R.; Inman, Daniel J.
2012-04-01
This paper presents a unique arrangement of bistable composite plates with piezoelectric patches bonded to its surface to perform broadband vibration-based energy harvesting from ambient mechanical vibrations. These bistable nonlinear devices have been shown to have improved power generation compared to conventional resonant systems and can be designed to occupy smaller volumes than bistable magnetic cantilever systems. This paper presents the results of an optimization study of bistable composites that are capable of generating greater electrical power from a smaller space by discovering the correct geometric configuration for energy harvesting. Optimum solutions are investigated in a series of design parameter studies intended to reveal the complex interactions of the physical constraints and design requirements. The proposed approach considers the optimal choice of device aspect ratio, thickness, laminate stacking sequence, and piezoelectric surface area. Increased electrical output is found for geometries and piezoelectric configurations which have not been considered previously.
Aakeröy, Christer B.; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John
2015-01-01
As halogen bonds gain prevalence in supramolecular synthesis and materials chemistry, it has become necessary to examine more closely how such interactions compete with or complement hydrogen bonds whenever both are present within the same system. As hydrogen and halogen bonds have several fundamental features in common, it is often difficult to predict which will be the primary interaction in a supramolecular system, especially as they have comparable strength and geometric requirements. To address this challenge, a series of molecules containing both hydrogen- and halogen-bond donors were co-crystallized with various monotopic, ditopic symmetric and ditopic asymmetric acceptor molecules. The outcome of each reaction was examined using IR spectroscopy and, whenever possible, single-crystal X-ray diffraction. 24 crystal structures were obtained and subsequently analyzed, and the synthon preferences of the competing hydrogen- and halogen-bond donors were rationalized against a background of calculated molecular electrostatic potential values. It has been shown that readily accessible electrostatic potentials can offer useful practical guidelines for predicting the most likely primary synthons in these co-crystals as long as the potential differences are weighted appropriately. PMID:26306192
Mutual influence between conventional and unconventional lithium bonds.
Esrafili, Mehdi D; Fatehi, Parvin; Solimannejad, Mohammad
2014-04-01
The interplay between conventional and unconventional lithium bonds interactions in NCLi?NCLi?XCCX and CNLi?CNLi?XCCX (X=H, F, Cl, Br, OH, CH3, and OCH3) complexes is studied by ab initio calculations. Cooperative effects are observed when Li?N(C) and Li?? bonds coexist in the same complex. These effects are analyzed in terms of geometric, energetic and electron charge density properties of the complexes. The cooperative effects are larger in those complexes with shorter intermolecular distances than in those with the longest ones. The electron density at the lithium bond critical points can be regarded as a good descriptor of the degree of cooperative effects. An excellent linear correlation can be obtained between the cooperative energies and the calculated spin-spin coupling constants across the lithium bonds. PMID:24657745
Void-free wafer-level adhesive bonding utilizing modified poly (diallyl phthalate)
NASA Astrophysics Data System (ADS)
Zhong, Fang; Dong, Tao; Yong, He; Yan, Su; Wang, Kaiying
2013-12-01
A new thermosetting polymer, modified poly (diallyl phthalate) (PDAP), is used as intermediate layer to realize a void-free wafer-level transfer bonding, in which the bonding interface contains patterned metal. Through glass-silicon bonding experiments, bonding defects are easily recognized with light microscopy. Three typical defect types are identified as: uneven flow defect, particle defect and bubble defect. The processing parameters, such as bonding pressure, pre-baking temperature, polymer thickness and coating conditions, have been optimized based on analysis of the defect formation. The optimized conditions have yielded a void-free wafer-level adhesive bonding. Then, the die shearing test indicates a good bonding strength. Additionally, the transfer bonding process is applied in SOI-silicon bonding as a practical example of MEMS fabrication.
How Geometric Distortions Scatter Electronic Excitations in Conjugated Macromolecules.
Shi, Tian; Li, Hao; Tretiak, Sergei; Chernyak, Vladimir Y
2014-11-20
Effects of disorder and exciton-phonon interactions are the major factors controlling photoinduced dynamics and energy-transfer processes in conjugated organic semiconductors, thus defining their electronic functionality. All-atom quantum-chemical simulations are potentially capable of describing such phenomena in complex "soft" organic structures, yet they are frequently computationally restrictive. Here we efficiently characterize how electronic excitations in branched conjugated molecules interact with molecular distortions using the exciton scattering (ES) approach as a fundamental principle combined with effective tight-binding models. Molecule geometry deformations are incorporated to the ES view of electronic excitations by identifying the dependence of the Frenkel-type exciton Hamiltonian parameters on the characteristic geometry parameters. We illustrate our methodology using two examples of intermolecular distortions, bond length alternation and single bond rotation, which constitute vibrational degrees of freedom strongly coupled to the electronic system in a variety of conjugated systems. The effect on excited-state electronic structures has been attributed to localized variation of exciton on-site energies and couplings. As a result, modifications of the entire electronic spectra due to geometric distortions can be efficiently and accurately accounted for with negligible numerical cost. The presented approach can be potentially extended to model electronic structures and photoinduced processes in bulk amorphous polymer materials. PMID:26276475
The variational subspace valence bond method
Fletcher, Graham D.
2015-04-07
The variational subspace valence bond (VSVB) method based on overlapping orbitals is introduced. VSVB provides variational support against collapse for the optimization of overlapping linear combinations of atomic orbitals (OLCAOs) using modified orbital expansions, without recourse to orthogonalization. OLCAO have the advantage of being naturally localized, chemically intuitive (to individually model bonds and lone pairs, for example), and transferrable between different molecular systems. Such features are exploited to avoid key computational bottlenecks. Since the OLCAO can be doubly occupied, VSVB can access very large problems, and calculations on systems with several hundred atoms are presented.
The variational subspace valence bond method
NASA Astrophysics Data System (ADS)
Fletcher, Graham D.
2015-04-01
The variational subspace valence bond (VSVB) method based on overlapping orbitals is introduced. VSVB provides variational support against collapse for the optimization of overlapping linear combinations of atomic orbitals (OLCAOs) using modified orbital expansions, without recourse to orthogonalization. OLCAO have the advantage of being naturally localized, chemically intuitive (to individually model bonds and lone pairs, for example), and transferrable between different molecular systems. Such features are exploited to avoid key computational bottlenecks. Since the OLCAO can be doubly occupied, VSVB can access very large problems, and calculations on systems with several hundred atoms are presented.
Ultrasonic friction power during Al wire wedge-wedge bonding
NASA Astrophysics Data System (ADS)
Shah, A.; Gaul, H.; Schneider-Ramelow, M.; Reichl, H.; Mayer, M.; Zhou, Y.
2009-07-01
Al wire bonding, also called ultrasonic wedge-wedge bonding, is a microwelding process used extensively in the microelectronics industry for interconnections to integrated circuits. The bonding wire used is a 25?m diameter AlSi1 wire. A friction power model is used to derive the ultrasonic friction power during Al wire bonding. Auxiliary measurements include the current delivered to the ultrasonic transducer, the vibration amplitude of the bonding tool tip in free air, and the ultrasonic force acting on the bonding pad during the bond process. The ultrasonic force measurement is like a signature of the bond as it allows for a detailed insight into mechanisms during various phases of the process. It is measured using piezoresistive force microsensors integrated close to the Al bonding pad (Al-Al process) on a custom made test chip. A clear break-off in the force signal is observed, which is followed by a relatively constant force for a short duration. A large second harmonic content is observed, describing a nonsymmetric deviation of the signal wave form from the sinusoidal shape. This deviation might be due to the reduced geometrical symmetry of the wedge tool. For bonds made with typical process parameters, several characteristic values used in the friction power model are determined. The ultrasonic compliance of the bonding system is 2.66?m/N. A typical maximum value of the relative interfacial amplitude of ultrasonic friction is at least 222nm. The maximum interfacial friction power is at least 11.5mW, which is only about 4.8% of the total electrical power delivered to the ultrasonic generator.
Geometric effects on stress wave propagation.
Johnson, K L; Trim, M W; Horstemeyer, M F; Lee, N; Williams, L N; Liao, J; Rhee, H; Prabhu, R
2014-02-01
The present study, through finite element simulations, shows the geometric effects of a bioinspired solid on pressure and impulse mitigation for an elastic, plastic, and viscoelastic material. Because of the bioinspired geometries, stress wave mitigation became apparent in a nonintuitive manner such that potential real-world applications in human protective gear designs are realizable. In nature, there are several toroidal designs that are employed for mitigating stress waves; examples include the hyoid bone on the back of a woodpecker's jaw that extends around the skull to its nose and a ram's horn. This study evaluates four different geometries with the same length and same initial cross-sectional diameter at the impact location in three-dimensional finite element analyses. The geometries in increasing complexity were the following: (1) a round cylinder, (2) a round cylinder that was tapered to a point, (3) a round cylinder that was spiraled in a two dimensional plane, and (4) a round cylinder that was tapered and spiraled in a two-dimensional plane. The results show that the tapered spiral geometry mitigated the greatest amount of pressure and impulse (approximately 98% mitigation) when compared to the cylinder regardless of material type (elastic, plastic, and viscoelastic) and regardless of input pressure signature. The specimen taper effectively mitigated the stress wave as a result of uniaxial deformational processes and an induced shear that arose from its geometry. Due to the decreasing cross-sectional area arising from the taper, the local uniaxial and shear stresses increased along the specimen length. The spiral induced even greater shear stresses that help mitigate the stress wave and also induced transverse displacements at the tip such that minimal wave reflections occurred. This phenomenon arose although only longitudinal waves were introduced as the initial boundary condition (BC). In nature, when shearing occurs within or between materials (friction), dissipation usually results helping the mitigation of the stress wave and is illustrated in this study with the taper and spiral geometries. The combined taper and spiral optimized stress wave mitigation in terms of the pressure and impulse; thus providing insight into the ram's horn design and woodpecker hyoid designs found in nature. PMID:24362893
2016-01-01
The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design. PMID:26812185
Cavallo, Gabriella; Metrangolo, Pierangelo; Milani, Roberto; Pilati, Tullio; Priimagi, Arri; Resnati, Giuseppe; Terraneo, Giancarlo
2016-02-24
The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design. PMID:26812185
Diffusion Bonding of Silicon Carbide for MEMS-LDI Applications
NASA Technical Reports Server (NTRS)
Halbig, Michael C.; Singh, Mrityunjay; Shpargel, Tarah P.; Kiser, J. Douglas
2007-01-01
A robust joining approach is critically needed for a Micro-Electro-Mechanical Systems-Lean Direct Injector (MEMS-LDI) application which requires leak free joints with high temperature mechanical capability. Diffusion bonding is well suited for the MEMS-LDI application. Diffusion bonds were fabricated using titanium interlayers between silicon carbide substrates during hot pressing. The interlayers consisted of either alloyed titanium foil or physically vapor deposited (PVD) titanium coatings. Microscopy shows that well adhered, crack free diffusion bonds are formed under optimal conditions. Under less than optimal conditions, microcracks are present in the bond layer due to the formation of intermetallic phases. Electron microprobe analysis was used to identify the reaction formed phases in the diffusion bond. Various compatibility issues among the phases in the interlayer and substrate are discussed. Also, the effects of temperature, pressure, time, silicon carbide substrate type, and type of titanium interlayer and thickness on the microstructure and composition of joints are discussed.
NASA Astrophysics Data System (ADS)
Wan, L. F.; Beckman, S. P.
2015-09-01
The underlying nature of atomic bonds in the orthorhombic AlLiB14 crystal is studied using first-principles methods. Significant charge transfer is observed upon bonding, which is responsible to maintain good mechanical strength of the crystal. Individual bonding or anti-bonding states are identified which explains the correlation between the optimal mechanical strength and the electronic occupation of individual atomic orbitals. When the Fermi level is 0.35 eV inside the valence band the crystal has its maximum strength, which is the nominal position of the Fermi level in the experimentally-observed, off-stoichometric orthorhombic borides. These results indicate that the soft-phonon modes previously identified in the literature allow the crystal to reach the optimal stability. Due to the unique crystallographic symmetry, the impact of uniaxial compressive strain on the individual bonds is also examined in the end.
Diversity and feasibility of direct bonding: a survey of a dedicated optical technology.
Haisma, J; Spierings, B A; Biermann, U K; van Gorkum, A A
1994-03-01
The aim of this paper is to review almost a decade of direct-bonding activities at Philips Research including the diversity and feasibility of direct bonding. The bondability of a material is determined by its geometrical shape and mechanical, physical, and chemical surface states. Physically direct bonding provides a vacuumtight bond, which is jointless and glueless, and it permits engineering of the interfaces to be bonded. Layers can be buried, and reflective-lossless bonds between optical elements can be created. A variety of materials are investigated: (refractory) metals, a semimetal, boron, diamond, a carbide, fluorides, nitrides, oxides, and a chalcogenide. The applications that we describe relate to interface engineering, waveguiding, and the direct bonding of a fiber plate. PMID:20862132
Esrafili, Mehdi D; Mohammadian-Sabet, Fariba; Solimannejad, Mohammad
2015-04-01
In this work, the interplay between anion-Ï€ and pnicogen bond interactions is investigated by ab initio calculations. Cooperative effects are observed in the studied complexes in which anion-Ï€ and pnicogen bond interactions coexist. These effects are analyzed in detail in terms of the energetic, geometric, charge-transfer and electron density properties of the complexes. The cooperative energy ranges from -1.8 to -4.1kcalmol(-1). The effect of an anion-Ï€ bond on a pnicogen bond is more pronounced than that of a pnicogen bond on an anion-Ï€ bond. The enhancing mechanism is analyzed in views with the charge-transfer, electrostatic potential and electron density analysis. PMID:25698102
Bonding aerogels with polyurethanes
Matthews, F.M.; Hoffman, D.M.
1989-11-01
Aerogels, porous silica glasses with ultra-fine cell size (30nm), are made by a solution gelation (sol-gel) process. The resulting gel is critical point dried to densities from 0.15--0.60 g/cc. This material is machinable, homogeneous, transparent, coatable and bondable. To bond aerogel an adhesive should have long cure time, no attack on the aerogel structure, and high strength. Several epoxies and urethanes were examined to determine if they satisfied these conditions. Bond strengths above 13 psi were found with double bubble and DP-110 epoxies and XI-208/ODA-1000 and Castall U-2630 urethanes. Hardman Kalex Tough Stuff'' A-85 hardness urethane gave 18 psi bond strength. Hardman A-85, Tuff-Stuff'' was selected for further evaluation because it produced bond strengths comparable to the adherend cohesive strength. 5 refs., 2 figs.
Geometrical criteria for characterizing open and closed states of WPD-loop in PTP1B
NASA Astrophysics Data System (ADS)
Shinde, Ranajit Nivrutti; Elizabeth Sobhia, M.
2012-06-01
Distinctive movement of WPD-loop occurs during the catalysis of phosphotyrosine by protein tyrosine phosphatase 1B (PTP1B). This loop is in the "open" state in apo-form whereas it is catalytically competent in the "closed" state. During the closure of this loop, unique hydrogen bond interactions are formed between different residues of the PTP1B. Present study examines such interactions from the available 118 crystal structures of PTP1B. It gives insights into the five novel hydrogen bonds essentially formed in the "closed" loop structures. Additionally, the study provides distance ranges between the atoms involved in the hydrogen bonds. This information can be used as a geometrical criterion in the characterization of conformational state of the WPD-loop especially in the molecular dynamics simulations.
Butler, Jonathan; Dowling, Paul
2005-01-01
Retention is usually necessary following orthodontic treatment to overcome the elastic recoil of the periodontal supporting fibres and to allow remodelling of the alveolar bone. The degree of change is variable and largely unpredictable. Bonded lingual retainers have been shown to be an effective means of retaining aligned anterior teeth in the post-treatment position in the long term. Two basic designs of lingual bonded retainers are currently in use. Rigid mandibular canine-to-canine retainers are attached to the canines only. They are effective in maintaining intercanine width but less so in preventing individual tooth rotations. Flexible spiral wire retainers are bonded to each tooth in the segment, their flexibility allowing for physiological movement of the teeth. This design is more effective at preventing rotation of the bonded teeth. Failure of bonded retainers may occur at the wire-composite interface, at the adhesive-enamel interface or as a stress fracture of the wire. Failure of a retainer may lead to unwanted tooth movement. In many cases it will be possible to repair the appliance in the mouth. However, in some instances it will be necessary to replace the retainer. A disadvantage of fixed retainers is that they complicate oral hygiene procedures, and favour the accumulation of plaque and calculus. Despite this, the presence of a bonded retainer appears to cause no increase in incidence of caries or periodontal disease. Use of interdental cleaning aids is required to ensure adequate oral hygiene. PMID:15789987
Diffusion Bonding of Silicon Carbide Ceramics using Titanium Interlayers
NASA Technical Reports Server (NTRS)
Halbig, Michael C.; Singh, Mrityunjay; Shpargel, Tarah P.; Kiser, James D.
2006-01-01
Robust joining approaches for silicon carbide ceramics are critically needed to fabricate leak free joints with high temperature mechanical capability. In this study, titanium foils and physical vapor deposited (PVD) titanium coatings were used to form diffusion bonds between SiC ceramics using hot pressing. Silicon carbide substrate materials used for bonding include sintered SiC and two types of CVD SiC. Microscopy results show the formation of well adhered diffusion bonds. The bond strengths as determined from pull tests are on the order of several ksi, which is much higher than required for a proposed application. Microprobe results show the distribution of silicon, carbon, titanium, and other minor elements across the diffusion bond. Compositions of several phases formed in the joint region were identified. Potential issues of material compatibility and optimal bond formation will also be discussed.
Cryogenic evaluation of epoxy bond strength
NASA Astrophysics Data System (ADS)
Albritton, N.; Young, W.
The purpose of the work presented here was to determine methods of optimizing the adhesion of a particular epoxy (CTD-101K, Composite Technology Development Inc.) to a particular nickel-based alloy substrate (Incoloy Â® 908, Inco Alloys International) for cryogenic applications. Initial efforts were focused on surface preparation of the substrate material via various mechanical and chemical cleaning techniques. Test samples, fabricated to simulate the conduit-to-insulation interface, were put through a mock heat treat and vacuum/pressure impregnation process. Samples were compression/shear load tested to compare the bond strengths at room temperature and liquid nitrogen temperature. The resulting data indicate that acid etching creates a higher bond strength than the other tested techniques and that the bond formed is stronger at cryogenic temperatures than at room temperature. A description of the experiment along with the resulting data is presented here.
The geometric phase controls ultracold chemistry.
Kendrick, B K; Hazra, Jisha; Balakrishnan, N
2015-01-01
The geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born-Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O+OH?H+O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity. PMID:26224326
The geometric phase controls ultracold chemistry
Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.
2015-01-01
The geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born–Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O+OH?H+O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity. PMID:26224326
The geometric phase controls ultracold chemistry
NASA Astrophysics Data System (ADS)
Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.
2015-07-01
The geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born-Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O+OH-->H+O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.
Geometric uncertainty relation for mixed quantum states
Andersson, Ole Heydari, Hoshang
2014-04-15
In this paper we use symplectic reduction in an Uhlmann bundle to construct a principal fiber bundle over a general space of unitarily equivalent mixed quantum states. The bundle, which generalizes the Hopf bundle for pure states, gives in a canonical way rise to a Riemannian metric and a symplectic structure on the base space. With these we derive a geometric uncertainty relation for observables acting on quantum systems in mixed states. We also give a geometric proof of the classical Robertson-Schrödinger uncertainty relation, and we compare the two. They turn out not to be equivalent, because of the multiple dimensions of the gauge group for general mixed states. We give examples of observables for which the geometric relation provides a stronger estimate than that of Robertson and Schrödinger, and vice versa.
Geometrical Structures on Space-Time
NASA Astrophysics Data System (ADS)
Borchers, Hans-Jürgen; Sen, Rathindra Nath
The chief aim of this chapter is to define the geometrical structures, global and local, that are associated with the notion of causality. The work described later in this volume is the exploration of an abstraction from this notion. We shall begin with a review of the relevant global geometrical structures on ?n, and then proceed to the local structures. We shall follow Hermann Weyl's approach [115], modified as necessary to incorporate later developments, in the discussion of geometrical structures. A few terms used by Weyl and still in use have changed meanings, and we shall point these out. Most of this material will be familiar to geometers and relativity theorists, but perhaps less so to others.
The geometric phase controls ultracold chemistry
Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.
2015-07-30
In this study, the geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Bornâ€“Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O + OH â†’ H + O_{2} reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.
Overview on METEOSAT geometrical image data processing
NASA Technical Reports Server (NTRS)
Diekmann, Frank J.
1994-01-01
Digital Images acquired from the geostationary METEOSAT satellites are processed and disseminated at ESA's European Space Operations Centre in Darmstadt, Germany. Their scientific value is mainly dependent on their radiometric quality and geometric stability. This paper will give an overview on the image processing activities performed at ESOC, concentrating on the geometrical restoration and quality evaluation. The performance of the rectification process for the various satellites over the past years will be presented and the impacts of external events as for instance the Pinatubo eruption in 1991 will be explained. Special developments both in hard and software, necessary to cope with demanding tasks as new image resampling or to correct for spacecraft anomalies, are presented as well. The rotating lens of MET-5 causing severe geometrical image distortions is an example for the latter.
Gender recognition based on face geometric features
NASA Astrophysics Data System (ADS)
Xiao, Jie; Guo, Zhaoli; Cai, Chao
2013-10-01
Automatic gender recognition based on face images plays an important role in computer vision and machine vision. In this paper, a novel and simple gender recognition method based on face geometric features is proposed. The method is divided in three steps. Firstly, Pre-processing step provides standard face images for feature extraction. Secondly, Active Shape Model (ASM) is used to extract geometric features in frontal face images. Thirdly, Adaboost classifier is chosen to separate the two classes (male and female). We tested it on 2570 pictures (1420 males and 1150 females) downloaded from the internet, and encouraging results were acquired. The comparison of the proposed geometric feature based method and the full facial image based method demonstrats its superiority.
Connexions for the nuclear geometrical collective model
NASA Astrophysics Data System (ADS)
Rosensteel, G.; Sparks, N.
2015-11-01
The Bohr-Mottelson-Frankfurt model of nuclear rotations and quadrupole vibrations is a foundational model in nuclear structure physics. The model, also called the geometrical collective model or simply GCM(3), has two hidden mathematical structures, one group theoretic and the other differential geometric. Although the group structure has been understood for some time, the geometric structure is a new feature that this paper investigates in some detail. Using the de Rham Laplacian \\triangle =\\star d \\star d for the kinetic energy extends significantly the physical scope of the GCM(3) model. This Laplacian contains a ‘magnetic’ term due to the connexion between base manifold rotational and fibre vortex degrees of freedom. When the connexion specializes to irrotational flow, the Laplacian reduces to the Bohr-Mottelson kinetic energy operator.
NASA Astrophysics Data System (ADS)
Sittel, Wiebke; Basuki, Widodo W.; Aktaa, Jarir
2015-10-01
A modeling based optimization process of the solid state diffusion bonding is presented for joining ferritic oxide dispersion strengthened steels PM2000. An optimization study employing varying bonding temperatures and pressures results in almost the same strength and toughness of the bonded compared to the as received material. TEM investigations of diffusion bonded samples show a homogeneous distribution of oxide particles at the bonding seam similar to that in the bulk. Hence, no loss in strength or creep resistance due to oxide particle agglomeration is found, as verified by the mechanical properties observed for the joint.
Geometrically controlled tensile response of braided sutures.
Rawal, Amit; Sibal, Apurv; Saraswat, Harshvardhan; Kumar, Vijay
2015-03-01
Sutures are the materials used for wound closure that are caused by surgery or trauma. The main pre-requisite to the success of the suture is to obtain ultimate level of tensile properties with defined geometrical constraints. In this communication, the model for tensile properties of braided sutures has been proposed by elucidating the most important geometrical and material parameters. The model has accounted for the kinematical changes occurring in the braid and constituent strand geometries under defined level of strain. A comparison has been made between the theoretical and experimental results of stress-strain characteristics of braided sutures. PMID:25579946
The geometric phase in quantum physics
Bohm, A.
1993-03-01
After an explanatory introduction, a quantum system in a classical time-dependent environment is discussed; an example is a magnetic moment in a classical magnetic field. At first, the general abelian case is discussed in the adiabatic approximation. Then the geometric phase for nonadiabatic change of the environment (Anandan--Aharonov phase) is introduced, and after that general cyclic (nonadiabatic) evolution is discussed. The mathematics of fiber bundles is introduced, and some of its results are used to describe the relation between the adiabatic Berry phase and the geometric phase for general cyclic evolution of a pure state. The discussion is restricted to the abelian, U(1) phase.
Scale-invariant geometric random graphs
NASA Astrophysics Data System (ADS)
Xie, Zheng; Rogers, Tim
2016-03-01
We introduce and analyze a class of growing geometric random graphs that are invariant under rescaling of space and time. Directed connections between nodes are drawn according to influence zones that depend on node position in space and time, mimicking the heterogeneity and increased specialization found in growing networks. Through calculations and numerical simulations we explore the consequences of scale invariance for geometric random graphs generated this way. Our analysis reveals a dichotomy between scale-free and Poisson distributions of in- and out-degree, the existence of a random number of hub nodes, high clustering, and unusual percolation behavior. These properties are similar to those of empirically observed web graphs.
Geometric analysis of alloreactive HLA ?-helices.
Ribarics, Reiner; Karch, Rudolf; Ilieva, Nevena; Schreiner, Wolfgang
2014-01-01
Molecular dynamics (MD) is a valuable tool for the investigation of functional elements in biomolecules, providing information on dynamic properties and processes. Previous work by our group has characterized static geometric properties of the two MHC ?-helices comprising the peptide binding region recognized by T cells. We build upon this work and used several spline models to approximate the overall shape of MHC ?-helices. We applied this technique to a series of MD simulations of alloreactive MHC molecules that allowed us to capture the dynamics of MHC ?-helices' steric configurations. Here, we discuss the variability of spline models underlying the geometric analysis with varying polynomial degrees of the splines. PMID:25028669
Model-based vision using geometric hashing
NASA Astrophysics Data System (ADS)
Akerman, Alexander, III; Patton, Ronald
1991-04-01
The Geometric Hashing technique developed by the NYU Courant Institute has been applied to various automatic target recognition applications. In particular, I-MATH has extended the hashing algorithm to perform automatic target recognition ofsynthetic aperture radar (SAR) imagery. For this application, the hashing is performed upon the geometric locations of dominant scatterers. In addition to being a robust model-based matching algorithm -- invariant under translation, scale, and 3D rotations of the target -- hashing is of particular utility because it can still perform effective matching when the target is partially obscured. Moreover, hashing is very amenable to a SIMD parallel processing architecture, and thus potentially realtime implementable.
Local Geometrical Machinery for Complexity and Control
NASA Astrophysics Data System (ADS)
Ivancevic, Vladimir G.; Reid, Darryn J.
2015-11-01
In this Chapter, we present local geometrical machinery for studying complexity and control, consisting of dynamics on Kähler manifolds, which combine three geometrical structures-Riemannian, symplectic and complex (Hermitian)-in a mutually compatible way. In other words, every Kähler manifold is simultaneously Riemannian, symplectic and complex (Hermitian). It is well known that Riemannian manifolds represent the stage on which Lagrangian dynamics is set, symplectic manifolds represent the stage for Hamiltonian dynamics, and complex (Hermitian) varieties comprise the stage for quantum dynamics. Therefore, Kähler manifolds represent the richest dynamical stage available where Lagrangian, Hamiltonian, and quantum dynamics all dance together.
Geometric-phase atom optics and interferometry
NASA Astrophysics Data System (ADS)
Zygelman, B.
2015-10-01
We illustrate how geometric gauge forces and topological phase effects emerge in atomic and molecular systems without employing assumptions that rely on adiabaticity. We show how geometric magnetism may be harnessed to engineer novel quantum devices including a velocity sieve, a component in mass spectrometers, for neutral atoms. We introduce and outline a possible experimental setup that demonstrates topological interferometry for neutral spin-1/2 systems. For that two-level system, we study the transition from Abelian to non-Abelian behavior and explore its relation to the molecular Aharonov-Bohm effect.
A geometric approach to quantum vortices
NASA Astrophysics Data System (ADS)
Penna, Vittorio; Spera, Mauro
1989-12-01
In this paper a geometrical description is given of the theory of quantum vortices first developed by Rasetti and Regge [Physica A 80, 217 (1975)] relying on the symplectic techniques of Marsden and Weinstein [J. Phys. D 7, 305 (1983)], and Kirillov-Kostant-Souriau geometric quantization. The RR-current algebra is interpreted as the natural Hamiltonian algebra associated to a certain coadjoint orbit of the group G=SDiff(R3), the KKS prequantization condition of which is related to the Feynman-Onsager relation. This orbit is also shown to possess a G-invariant Kaehler structure, whence, in principle, it is possible to quantize it in a natural way.
Geometric accuracy in airborne SAR images
NASA Technical Reports Server (NTRS)
Blacknell, D.; Quegan, S.; Ward, I. A.; Freeman, A.; Finley, I. P.
1989-01-01
Uncorrected across-track motions of a synthetic aperture radar (SAR) platform can cause both a severe loss of azimuthal positioning accuracy in, and defocusing of, the resultant SAR image. It is shown how the results of an autofocus procedure can be incorporated in the azimuth processing to produce a fully focused image that is geometrically accurate in azimuth. Range positioning accuracy is also discussed, leading to a comprehensive treatment of all aspects of geometric accuracy. The system considered is an X-band SAR.
Primary School Teacher Candidates' Geometric Habits of Mind
ERIC Educational Resources Information Center
Köse, Nilu¨fer Y.; Tanisli, Dilek
2014-01-01
Geometric habits of mind are productive ways of thinking that support learning and using geometric concepts. Identifying primary school teacher candidates' geometric habits of mind is important as they affect the development of their future students' geometric thinking. Therefore, this study attempts to determine primary school…
Methods and Apparatuses for Signaling with Geometric Constellations in a Raleigh Fading Channel
NASA Technical Reports Server (NTRS)
Barsoum, Maged F. (Inventor); Jones, Christopher R. (Inventor)
2015-01-01
Communication systems are described that use signal constellations, which have unequally spaced (i.e., `geometrically` shaped) points. In many embodiments, the communication systems use specific geometric constellations that are capacity optimized at a specific SNR (signal to noise ratio). In addition, ranges within which the constellation points of a capacity optimized constellation can be perturbed and are still likely to achieve a given percentage of the optimal capacity increase compared to a constellation that maximizes d (sub min) (i.e. minimum distance between constellations) are also described. Capacity measures that are used in the selection of the location of constellation points include, but are not limited to, parallel decode (PD) capacity and joint capacity.
Double-bond defect modelling in As-S glasses
NASA Astrophysics Data System (ADS)
Boyko, V.; Shpotyuk, O.; Hyla, M.
2010-11-01
Ab initio calculations with the RHF/6-311G* basis set are used for geometrical optimization of regular pyramidal and defect quasi-tetrahedral clusters in binary As-S glasses. It is shown that quasi-tetrahedral S=AsS3/2 structural units are impossible as main network-building blocks in these glasses.
Physical understanding through variational reasoning: electron sharing and covalent bonding.
Ruedenberg, Klaus; Schmidt, Michael W
2009-03-12
Energy changes of stationary states resulting from geometric parameter changes in the Hamiltonian can be understood by variational reasoning in terms of the physical attributes of the kinetic and the potential energy functionals. In atoms as well as molecules, the energy minimization determines the ground state as the optimal compromise between the potential pull of the nuclear attractions and the localization-resisting kinetic pressure of the electron cloud. This variational competition is analyzed for the exact ab initio ground-state wave function of the hydrogen molecule ion to elucidate the formation of the bond. Its electronic wave function is shown to differ from the ground-state wave function of the hydrogen atom by polarization, sharing, and contraction, and the corresponding contributions to the binding energy are examined in detail. All told, the critical feature is that a molecular orbital, contracting (in the variational context) toward two nuclei simultaneously, can lower its potential energy while maintaining a certain degree of delocalization. As a consequence, its kinetic energy functional has a lower value than that of an orbital contracting toward a single nucleus equally closely. By contrast, the potential energy functional is lowered equally effectively whether the orbital contracts toward one nucleus or simultaneously toward two nuclei. Because of this weaker kinetic energy pressure, the electrostatic potential pull of the nuclei in the molecule is able to attach the orbital more tightly to each of the nuclei than the pull of the single nucleus in the atom is able to do. The role of the virial theorem is clarified. Generalizations to other molecules are discussed. PMID:19228050
Geometrical aspects in optical wave-packet dynamics.
Onoda, Masaru; Murakami, Shuichi; Nagaosa, Naoto
2006-12-01
We construct a semiclassical theory for propagation of an optical wave packet in a nonconducting medium with a periodic structure of dielectric permittivity and magnetic permeability, i.e., a nonconducting photonic crystal. We employ a quantum-mechanical formalism in order to clarify its link to those of electronic systems. It involves the geometrical phase, i.e., Berry's phase, in a natural way, and describes an interplay between orbital motion and internal rotation. Based on the above theory, we discuss the geometrical aspects of the optical Hall effect. We also consider a reduction of the theory to a system without periodic structure and apply it to the transverse shift of an optical beam at an interface reflection or refraction. For a generic incident beam with an arbitrary polarization, an identical result for the transverse shift of each reflected or transmitted beam is given by the following different approaches: (i) analytic evaluation of wave-packet dynamics, (ii) total angular momentum (TAM) conservation for individual photons, and (iii) numerical simulation of wave-packet dynamics. It is consistent with a result by classical electrodynamics. This means that the TAM conservation for individual photons is already taken into account in wave optics, i.e., classical electrodynamics. Finally, we show an application of our theory to a two-dimensional photonic crystal, and propose an optimal design for the enhancement of the optical Hall effect in photonic crystals. PMID:17280165
Geometrical aspects in optical wave-packet dynamics
NASA Astrophysics Data System (ADS)
Onoda, Masaru; Murakami, Shuichi; Nagaosa, Naoto
2006-12-01
We construct a semiclassical theory for propagation of an optical wave packet in a nonconducting medium with a periodic structure of dielectric permittivity and magnetic permeability, i.e., a nonconducting photonic crystal. We employ a quantum-mechanical formalism in order to clarify its link to those of electronic systems. It involves the geometrical phase, i.e., Berry’s phase, in a natural way, and describes an interplay between orbital motion and internal rotation. Based on the above theory, we discuss the geometrical aspects of the optical Hall effect. We also consider a reduction of the theory to a system without periodic structure and apply it to the transverse shift of an optical beam at an interface reflection or refraction. For a generic incident beam with an arbitrary polarization, an identical result for the transverse shift of each reflected or transmitted beam is given by the following different approaches: (i) analytic evaluation of wave-packet dynamics, (ii) total angular momentum (TAM) conservation for individual photons, and (iii) numerical simulation of wave-packet dynamics. It is consistent with a result by classical electrodynamics. This means that the TAM conservation for individual photons is already taken into account in wave optics, i.e., classical electrodynamics. Finally, we show an application of our theory to a two-dimensional photonic crystal, and propose an optimal design for the enhancement of the optical Hall effect in photonic crystals.
Mechanics of tunable helices and geometric frustration in biomimetic seashells
NASA Astrophysics Data System (ADS)
Guo, Qiaohang; Chen, Zi; Li, Wei; Dai, Pinqiang; Ren, Kun; Lin, Junjie; Taber, Larry A.; Chen, Wenzhe
2014-03-01
Helical structures are ubiquitous in nature and engineering, ranging from DNA molecules to plant tendrils, from sea snail shells to nanoribbons. While the helical shapes in natural and engineered systems often exhibit nearly uniform radius and pitch, helical shell structures with changing radius and pitch, such as seashells and some plant tendrils, add to the variety of this family of aesthetic beauty. Here we develop a comprehensive theoretical framework for tunable helical morphologies, and report the first biomimetic seashell-like structure resulting from mechanics of geometric frustration. In previous studies, the total potential energy is everywhere minimized when the system achieves equilibrium. In this work, however, the local energy minimization cannot be realized because of the geometric incompatibility, and hence the whole system deforms into a shape with a global energy minimum whereby the energy in each segment may not necessarily be locally optimized. This novel approach can be applied to develop materials and devices of tunable geometries with a range of applications in nano/biotechnology.
Asymmetric bifurcated halogen bonds.
Novák, Martin; Foroutan-Nejad, Cina; Marek, Radek
2015-03-01
Halogen bonding (XB) is being extensively explored for its potential use in advanced materials and drug design. Despite significant progress in describing this interaction by theoretical and experimental methods, the chemical nature remains somewhat elusive, and it seems to vary with the selected system. In this work we present a detailed DFT analysis of three-center asymmetric halogen bond (XB) formed between dihalogen molecules and variously 4-substituted 1,2-dimethoxybenzene. The energy decomposition, orbital, and electron density analyses suggest that the contribution of electrostatic stabilization is comparable with that of non-electrostatic factors. Both terms increase parallel with increasing negative charge of the electron donor molecule in our model systems. Depending on the orientation of the dihalogen molecules, this bifurcated interaction may be classified as '?-hole - lone pair' or '?-hole - ?' halogen bonds. Arrangement of the XB investigated here deviates significantly from a recent IUPAC definition of XB and, in analogy to the hydrogen bonding, the term bifurcated halogen bond (BXB) seems to be appropriate for this type of interaction. PMID:25656525
NASA Technical Reports Server (NTRS)
Christian, Jerry D.
1973-01-01
Students are not generally made aware of the extraordinary magnitude of the strengths of chemical bonds in terms of the forces required to pull them apart. Molecular bonds are usually considered in terms of the energies required to break them, and we are not astonished at the values encountered. For example, the Cl2 bond energy, 57.00 kcal/mole, amounts to only 9.46 x 10(sup -20) cal/molecule, a very small amount of energy, indeed, and impossible to measure directly. However, the forces involved in realizing the energy when breaking the bond operate over a very small distance, only 2.94 A, and, thus, f(sub ave) approx. equals De/(r - r(sub e)) must be very large. The forces involved in dissociating the molecule are discussed in the following. In consideration of average forces, the molecule shall be assumed arbitrarily to be dissociated when the atoms are far enough separated so that the potential, relative to that of the infinitely separated atoms, is reduced by 99.5% from the potential of the molecule at the equilibrium bond length (r(sub e)) for Cl2 of 1.988 A this occurs at 4.928 A.
Structure, nonstoichiometry, and geometrical frustration of Î± -tetragonal boron
NASA Astrophysics Data System (ADS)
Uemura, Naoki; Shirai, Koun; Eckert, Hagen; Kunstmann, Jens
2016-03-01
Recent discoveries of supposedly pure Î± -tetragonal boron require to revisit its structure. The system is also interesting with respect to a new type of geometrical frustration in elemental crystals, which was found in Î² -rhombohedral boron. Based on density functional theory calculations, the present study has resolved the structural and thermodynamic characteristics of pure Î± -tetragonal boron. Different from Î² -rhombohedral boron, the conditions for stable covalent bonding (a band gap and completely filled valence bands) are almost fulfilled at a composition B52 with two 4 c interstitial sites occupied. This indicates that the ground state of pure Î± -tetragonal boron is stoichiometric. However, the covalent condition is not perfectly fulfilled because nonbonding in-gap states exist that cannot be eliminated. The half occupation of the 4 c sites yields a macroscopic amount of residual entropy, which is as large as that of Î² -rhombohedral boron. Therefore Î± -tetragonal boron can be classified as an elemental crystal with geometrical frustration. Deviations from stoichiometry can occur only at finite temperatures. Thermodynamic considerations show that deviations Î´ from the stoichiometric composition (B52 +Î´) are small and positive. For the reported high-pressure syntheses conditions Î´ is predicted to be about 0.1 to 0.2. An important difference between pure and C- or N-containing Î± -tetragonal boron is found in the occupation of interstitial sites: the pure form prefers to occupy the 4 c sites, whereas in C- or N-containing forms, a mixture of 2 a , 8 h , and 8 i sites are occupied. The present article provides relations of site occupation, Î´ values, and lattice parameters, which enable us to identify pure Î± -tetragonal boron and distinguish the pure form from other ones.
The geometrical significance of the Laplacian
NASA Astrophysics Data System (ADS)
Styer, Daniel F.
2015-12-01
The Laplacian operator can be defined, not only as a differential operator, but also through its averaging properties. Such a definition lends geometric significance to the operator: a large Laplacian at a point reflects a "nonconformist" (i.e., different from average) character for the function there. This point of view is used to motivate the wave equation for a drumhead.
Impossible Geometric Constructions: A Calculus Writing Project
ERIC Educational Resources Information Center
Awtrey, Chad
2013-01-01
This article discusses a writing project that offers students the opportunity to solve one of the most famous geometric problems of Greek antiquity; namely, the impossibility of trisecting the angle [pi]/3. Along the way, students study the history of Greek geometry problems as well as the life and achievements of Carl Friedrich Gauss. Included isâ€¦
Geometric Determinants of Human Spatial Memory
ERIC Educational Resources Information Center
Hartley, Tom; Trinkler, Iris; Burgess, Neil
2004-01-01
Geometric alterations to the boundaries of a virtual environment were used to investigate the representations underlying human spatial memory. Subjects encountered a cue object in a simple rectangular enclosure, with distant landmarks for orientation. After a brief delay, during which they were removed from the arena, subjects were returned to itâ€¦
Degree correlations in random geometric graphs.
Antonioni, A; Tomassini, M
2012-09-01
Spatially embedded networks are important in several disciplines. The prototypical spatial network we assume is the Random Geometric Graph, of which many properties are known. Here we present new results for the two-point degree correlation function in terms of the clustering coefficient of the graphs for two-dimensional space in particular, with extensions to arbitrary finite dimensions. PMID:23031054
Reinforcing Geometric Properties with Shapedoku Puzzles
ERIC Educational Resources Information Center
Wanko, Jeffrey J.; Nickell, Jennifer V.
2013-01-01
Shapedoku is a new type of puzzle that combines logic and spatial reasoning with understanding of basic geometric concepts such as slope, parallelism, perpendicularity, and properties of shapes. Shapedoku can be solved by individuals and, as demonstrated here, can form the basis of a review for geometry students as they create their own. In this…
On Culture, Geometrical Thinking and Mathematics Education.
ERIC Educational Resources Information Center
Gerdes, Paulus
1988-01-01
Confronts a widespread prejudice about mathematical knowledge, that mathematics is "culture-free," by demonstrating alternative constructions of Euclidean geometrical ideas developed from the culture of Mozambique. As well as establishing the educational power of these constructions, the article illustrates the methodology of "culture…
Geometrical metallic shell behavior study under compression
NASA Astrophysics Data System (ADS)
Sahu, Ram Ranjan; Gupta, Pramod Kumar
2013-12-01
The loading response of shell structures depends on their shapes. The individual shape behaves uniquely to the loading, and different shapes give different load displacement graphs. If these geometries are combined, then their load displacement graphs can be different. It may happen that their combined behavior can be harnessed to be used as better energy absorber in a controlled manner, which they cannot if they are used individually. Experiments were conducted on two separate geometries as well by joining them with weld. The first geometry was the top cylindrical and frusta bottom. The second geometry was the shape of inverted bell crater and half-spherical shells. Combining these two shapes produced the third geometrical shape. The large deformation was obtained by crushing these geometrical shells between two flat plates. The finite element analysis was used to simulate the crush phenomenon. The behavior of the geometrical shell to large deformation was understood with load displacement graph for different samples. The energy absorbed by the different samples was calculated and compared. The parameters, like material and thickness, were varied for the samples to see their effect on the large deformation behavior. Moreover, friction role is discussed on the crush phenomenon. This paper also gives an idea on the different parameters which can affect the energy-absorbing capacity of the combined geometrical shells.
Geometrical tile design for complex neighborhoods.
Czeizler, Eugen; Kari, Lila
2009-01-01
Recent research has showed that tile systems are one of the most suitable theoretical frameworks for the spatial study and modeling of self-assembly processes, such as the formation of DNA and protein oligomeric structures. A Wang tile is a unit square, with glues on its edges, attaching to other tiles and forming larger and larger structures. Although quite intuitive, the idea of glues placed on the edges of a tile is not always natural for simulating the interactions occurring in some real systems. For example, when considering protein self-assembly, the shape of a protein is the main determinant of its functions and its interactions with other proteins. Our goal is to use geometric tiles, i.e., square tiles with geometrical protrusions on their edges, for simulating tiled paths (zippers) with complex neighborhoods, by ribbons of geometric tiles with simple, local neighborhoods. This paper is a step toward solving the general case of an arbitrary neighborhood, by proposing geometric tile designs that solve the case of a "tall" von Neumann neighborhood, the case of the f-shaped neighborhood, and the case of a 3 x 5 "filled" rectangular neighborhood. The techniques can be combined and generalized to solve the problem in the case of any neighborhood, centered at the tile of reference, and included in a 3 x (2k + 1) rectangle. PMID:19956398
Geometric Transformations in Middle School Mathematics Textbooks
ERIC Educational Resources Information Center
Zorin, Barbara
2011-01-01
This study analyzed treatment of geometric transformations in presently available middle grades (6, 7, 8) student mathematics textbooks. Fourteen textbooks from four widely used textbook series were evaluated: two mainline publisher series, Pearson (Prentice Hall) and Glencoe (Math Connects); one National Science Foundation (NSF) funded curriculumâ€¦
Geometric Determinants of Human Spatial Memory
ERIC Educational Resources Information Center
Hartley, Tom; Trinkler, Iris; Burgess, Neil
2004-01-01
Geometric alterations to the boundaries of a virtual environment were used to investigate the representations underlying human spatial memory. Subjects encountered a cue object in a simple rectangular enclosure, with distant landmarks for orientation. After a brief delay, during which they were removed from the arena, subjects were returned to it…
Impossible Geometric Constructions: A Calculus Writing Project
ERIC Educational Resources Information Center
Awtrey, Chad
2013-01-01
This article discusses a writing project that offers students the opportunity to solve one of the most famous geometric problems of Greek antiquity; namely, the impossibility of trisecting the angle [pi]/3. Along the way, students study the history of Greek geometry problems as well as the life and achievements of Carl Friedrich Gauss. Included is…
Geometrical Brownian Motion Driven by Color Noise
NASA Astrophysics Data System (ADS)
Zygadlo, R.
2008-05-01
The geometrical Brownian motion driven by Gaussian or dichotomous color noise is considered. The ordinary Malthusian evolution is observed for long times, however the initial values seem lowered and additionally, in the case of dichotomous noise, the rate of growth is decreased. In the latter case the possibility of arbitrage is shown explicitly.
Geometrizing the Quantum - A Toy Model
Koch, Benjamin
2009-12-15
It is shown that the equations of relativistic Bohmian mechanics for multiple bosonic particles have a dual description in terms of a classical theory of conformally 'curved' space-time. This shows that it is possible to formulate quantum mechanics as a purely classical geometrical theory. The results are further generalized to interactions with an external electromagnetic field.
A Geometric Approach to Fair Division
ERIC Educational Resources Information Center
Barbanel, Julius
2010-01-01
We wish to divide a cake among some collection of people (who may have very different notions of the comparative value of pieces of cake) in a way that is both "fair" and "efficient." We explore the meaning of these terms, introduce two geometric tools to aid our analysis, and present a proof (due to Dietrich Weller) that establishes the existenceâ€¦
Geometric interpretations for resonances of plasmonic nanoparticles
Liu, Wei; Oulton, Rupert F.; Kivshar, Yuri S.
2015-01-01
The field of plasmonics can be roughly categorized into two branches: surface plasmon polaritons (SPPs) propagating in waveguides and localized surface plasmons (LSPs) supported by scattering particles. Investigations along these two directions usually employ different approaches, resulting in more or less a dogma that the two branches progress almost independently of each other, with few interactions. Here in this work we interpret LSPs from a Bohr model based geometric perspective relying on SPPs, thus establishing a connection between these two sub-fields. Besides the clear explanations of conventional scattering features of plasmonic nanoparticles, based on this geometric model we further demonstrate other anomalous scattering features (higher order modes supported at lower frequencies, and blueshift of the resonance with increasing particle sizes) and multiple electric resonances of the same order supported at different frequencies, which have been revealed to originate from backward SPP modes and multiple dispersion bands supported in the corresponding plasmonic waveguides, respectively. Inspired by this geometric model, it is also shown that, through solely geometric tuning, the absorption of each LSP resonance can be maximized to reach the single channel absorption limit, provided that the scattering and absorption rates are tuned to be equal. PMID:26173797
Geometric Interpretations of Some Psychophysical Results.
ERIC Educational Resources Information Center
Levine, Michael V.
A theory of psychophysics is discussed that enlarges the classical theory in three general ways: (1) the multidimensional nature of perception is made explicit; (2) the transformations of the theory are interpreted geometrically; and (3) attributes are distinguished from sensations and only partially ordered. It is shown that, with the enlarged…
Geometric interpretations for resonances of plasmonic nanoparticles
NASA Astrophysics Data System (ADS)
Liu, Wei; Oulton, Rupert F.; Kivshar, Yuri S.
2015-07-01
The field of plasmonics can be roughly categorized into two branches: surface plasmon polaritons (SPPs) propagating in waveguides and localized surface plasmons (LSPs) supported by scattering particles. Investigations along these two directions usually employ different approaches, resulting in more or less a dogma that the two branches progress almost independently of each other, with few interactions. Here in this work we interpret LSPs from a Bohr model based geometric perspective relying on SPPs, thus establishing a connection between these two sub-fields. Besides the clear explanations of conventional scattering features of plasmonic nanoparticles, based on this geometric model we further demonstrate other anomalous scattering features (higher order modes supported at lower frequencies, and blueshift of the resonance with increasing particle sizes) and multiple electric resonances of the same order supported at different frequencies, which have been revealed to originate from backward SPP modes and multiple dispersion bands supported in the corresponding plasmonic waveguides, respectively. Inspired by this geometric model, it is also shown that, through solely geometric tuning, the absorption of each LSP resonance can be maximized to reach the single channel absorption limit, provided that the scattering and absorption rates are tuned to be equal.
Geometric Probability and the Areas of Leaves
ERIC Educational Resources Information Center
Hoiberg, Karen Bush; Sharp, Janet; Hodgson, Ted; Colbert, Jim
2005-01-01
This article describes how a group of fifth-grade mathematics students measured irregularly shaped objects using geometric probability theory. After learning how to apply a ratio procedure to find the areas of familiar shapes, students extended the strategy for use with irregularly shaped objects, in this case, leaves. (Contains 2 tables and 8…
Geometric Transformations in Middle School Mathematics Textbooks
ERIC Educational Resources Information Center
Zorin, Barbara
2011-01-01
This study analyzed treatment of geometric transformations in presently available middle grades (6, 7, 8) student mathematics textbooks. Fourteen textbooks from four widely used textbook series were evaluated: two mainline publisher series, Pearson (Prentice Hall) and Glencoe (Math Connects); one National Science Foundation (NSF) funded curriculum…
Modern Geometric Algebra: A (Very Incomplete!) Survey
ERIC Educational Resources Information Center
Suzuki, Jeff
2009-01-01
Geometric algebra is based on two simple ideas. First, the area of a rectangle is equal to the product of the lengths of its sides. Second, if a figure is broken apart into several pieces, the sum of the areas of the pieces equals the area of the original figure. Remarkably, these two ideas provide an elegant way to introduce, connect, andâ€¦
A Geometric Approach to Fair Division
ERIC Educational Resources Information Center
Barbanel, Julius
2010-01-01
We wish to divide a cake among some collection of people (who may have very different notions of the comparative value of pieces of cake) in a way that is both "fair" and "efficient." We explore the meaning of these terms, introduce two geometric tools to aid our analysis, and present a proof (due to Dietrich Weller) that establishes the existence…
If Only Clairaut Had Dynamic Geometric Tools
ERIC Educational Resources Information Center
Chang, Hyewon; Reys, Barbara J.
2013-01-01
Geometry is a major area of study in middle school mathematics, yet middle school and secondary students have difficulty learning important geometric concepts. This article considers Alexis-Claude Clairaut's approach that emphasizes engaging student curiosity about key ideas and theorems instead of directly teaching theorems before their…
Geometric Models for Collaborative Search and Filtering
ERIC Educational Resources Information Center
Bitton, Ephrat
2011-01-01
This dissertation explores the use of geometric and graphical models for a variety of information search and filtering applications. These models serve to provide an intuitive understanding of the problem domains and as well as computational efficiencies to our solution approaches. We begin by considering a search and rescue scenario where both…
Entanglement entropy for relevant and geometric perturbations
NASA Astrophysics Data System (ADS)
Rosenhaus, Vladimir; Smolkin, Michael
2015-02-01
We continue the study of entanglement entropy for a QFT through a perturbative expansion of the path integral definition of the reduced density matrix. The universal entanglement entropy for a CFT perturbed by a relevant operator is calculated to second order in the coupling. We also explore the geometric dependence of entanglement entropy for a deformed planar entangling surface, finding surprises at second order.
More Meaning from the Geometric Mean.
ERIC Educational Resources Information Center
Dorner, Bryan C.
2003-01-01
Provides classroom suggestions for combining numerical, algebraic, and geometric techniques with the understanding of a simple method for computing square roots. Historical origins of the method illustrate the debt owed to ancient minds living in what are now India, Pakistan, Iraq, and Egypt. (Author/NB)
Geometric Models for Collaborative Search and Filtering
ERIC Educational Resources Information Center
Bitton, Ephrat
2011-01-01
This dissertation explores the use of geometric and graphical models for a variety of information search and filtering applications. These models serve to provide an intuitive understanding of the problem domains and as well as computational efficiencies to our solution approaches. We begin by considering a search and rescue scenario where bothâ€¦
Integral representation for geometric optics solutions
NASA Astrophysics Data System (ADS)
Hazak, G.; Bernstein, I. B.; Smith, T. M.
1983-03-01
An integral representation of the geometric optics solutions for the field of dressed particles in inhomogeneous plasma is derived. The representation is a natural generalization of the Fourier integral used for homogeneous systems. The set of plane waves is replaced by a complete orthogonal set of 'quasi-plane waves' which in practice may be constructed by using the existing ray tracing codes.
Using geometric algebra to study optical aberrations
Hanlon, J.; Ziock, H.
1997-05-01
This paper uses Geometric Algebra (GA) to study vector aberrations in optical systems with square and round pupils. GA is a new way to produce the classical optical aberration spot diagrams on the Gaussian image plane and surfaces near the Gaussian image plane. Spot diagrams of the third, fifth and seventh order aberrations for square and round pupils are developed to illustrate the theory.
Geometric Templates for Improved Tracking Performance in Monte Carlo Codes
NASA Astrophysics Data System (ADS)
Nease, Brian R.; Millman, David L.; Griesheimer, David P.; Gill, Daniel F.
2014-06-01
One of the most fundamental parts of a Monte Carlo code is its geometry kernel. This kernel not only affects particle tracking (i.e., run-time performance), but also shapes how users will input models and collect results for later analyses. A new framework based on geometric templates is proposed that optimizes performance (in terms of tracking speed and memory usage) and simplifies user input for large scale models. While some aspects of this approach currently exist in different Monte Carlo codes, the optimization aspect has not been investigated or applied. If Monte Carlo codes are to be realistically used for full core analysis and design, this type of optimization will be necessary. This paper describes the new approach and the implementation of two template types in MC21: a repeated ellipse template and a box template. Several different models are tested to highlight the performance gains that can be achieved using these templates. Though the exact gains are naturally problem dependent, results show that runtime and memory usage can be significantly reduced when using templates, even as problems reach realistic model sizes.
Investigating geometric uncertainties in prostate cancer radiotherapy
NASA Astrophysics Data System (ADS)
Gao, Zhanrong
2006-12-01
Geometric errors in prostate cancer radiotherapy can affect patient outcome. Target delineation error, patient positioning error and internal target motion are three major sources contributing to the overall geometric uncertainty. In this thesis the quality of prostate target delineation, the global geometric error (vector sum of systematic error, organ motion, positioning error and collimator calibration error) and the intra-fraction organ motion during radiation delivery are studied. The effect of internal target motion and patient setup error on the tumour control probability and the normal tissue complication probability are calculated. Anatomical images from the Visible Human Project were examined by an expert group who then segmented a gold standard volume for the subject prostate. On the corresponding CT images, six radiation oncologists were asked to each delineate the entire prostate organ twenty times, producing a total of 120 organ delineations. It was found that the physician delineated prostate volume is in general 30% larger than the "true" prostate volume, but this overestimate of volume only included 84% of the true prostate volume. It was also observed that there was a systematic error in the observer segmentations, such that none of the 120 segmentations ever included all of the posterior portion of the prostate, but all of the delineations extended past the anterior surface of the prostate. Global geometric error and intra-fraction prostate organ motion were measured using data from 1028 portal images acquired over 257 fractions delivered to a total of 21 patients. In each patient, fudcial markers implanted into the prostate prior to treatment surrogated the position of the prostate. The overall geometric uncertainty was found to have a standard deviation of 5.3 mm for all observed directions. If both target delineation and target deformation uncertainties are included, the overall geometric uncertainty would be 6.3 mm. The intra-fraction organ motion was found to have a standard deviation of 1 mm. The effect of these geometric uncertainties on tumour control probability is simulated for the combinations of two treatment margins and three treatment techniques.
Surface analysis in composite bonding
NASA Technical Reports Server (NTRS)
Messick, D. L.; Wightman, J. P.
1982-01-01
The role of the interfacial region in determining the bond strength and durability of composite bonds is discussed. The characterization of a variety of carbon fibers including Celion 6000 using both scanning electron microscopy and X-ray photoelectron spectroscopy is discussed. The emphasis is on composite bonding, that is, the adhesive bonding between composites in contrast to fiber-matrix interaction. The primary objective of the research is the characterization of composite surfaces before adhesive bonding and after fracture of bonded specimens. Work done on the analysis of composite samples pretreated in a number of ways prior to bonding is detailed.
Geometric algorithm for efficient coincident detection of gravitational waves
Robinson, C. A. K.; Sathyaprakash, B. S.; Sengupta, Anand S.
2008-09-15
Data from a network of gravitational-wave detectors can be analyzed in coincidence to increase detection confidence and reduce nonstationarity of the background. We propose and explore a geometric algorithm to combine the data from a network of detectors. The algorithm makes optimal use of the variances and covariances that exist among the different parameters of a signal in a coincident detection of events. The new algorithm essentially associates with each trigger ellipsoidal regions in parameter space defined by the covariance matrix. Triggers from different detectors are deemed to be in coincidence if their ellipsoids have a nonzero overlap. Compared to an algorithm that uses uncorrelated windows separately for each of the signal parameters, the new algorithm greatly reduces the background rate thereby increasing detection efficiency at a given false alarm rate.
Drapage géométrique des compositesGeometrical draping of composite fabrics
NASA Astrophysics Data System (ADS)
Borouchaki, Houman; Cherouat, Abdelhakim
2003-06-01
This paper presents a study devoted to the composite fabric shaping simulation in finite strain analysis. We introduce a new geometrical approach based on the fishnet method for which the deformation of a fabric mesh element consists in a pure trellis effect. Such a fabric mesh element is then defined by a curved quadrilateral whose edges are geodesic lines with the same length plotted onto the surface to drape. Given three vertices of the fabric mesh element on the surface, we propose an optimization algorithm to define the fourth vertex of the fabric mesh element. This algorithm allows us to drape the surface using an advancing front approach from the data of an initial impact point between the fabric and the surface and the initial fibre directions at this point. A numerical draping simulation example using this approach is given. To cite this article: H. Borouchaki, A. Cherouat, C. R. Mecanique 331 (2003).
Correlation applied to the recognition of regular geometric figures
NASA Astrophysics Data System (ADS)
Lasso, William; Morales, Yaileth; Vega, Fabio; Díaz, Leonardo; Flórez, Daniel; Torres, Cesar
2013-11-01
It developed a system capable of recognizing of regular geometric figures, the images are taken by the software automatically through a process of validating the presence of figure to the camera lens, the digitized image is compared with a database that contains previously images captured, to subsequently be recognized and finally identified using sonorous words referring to the name of the figure identified. The contribution of system set out is the fact that the acquisition of data is done in real time and using a spy smart glasses with usb interface offering an system equally optimal but much more economical. This tool may be useful as a possible application for visually impaired people can get information of surrounding environment.
Insulation bonding test system
NASA Technical Reports Server (NTRS)
Beggs, J. M.; Johnston, G. D.; Coleman, A. D.; Portwood, J. N.; Saunders, J. M.; Redmon, J. W.; Porter, A. C. (Inventor)
1984-01-01
A method and a system for testing the bonding of foam insulation attached to metal is described. The system involves the use of an impacter which has a calibrated load cell mounted on a plunger and a hammer head mounted on the end of the plunger. When the impacter strikes the insulation at a point to be tested, the load cell measures the force of the impact and the precise time interval during which the hammer head is in contact with the insulation. This information is transmitted as an electrical signal to a load cell amplifier where the signal is conditioned and then transmitted to a fast Fourier transform (FFT) analyzer. The FFT analyzer produces energy spectral density curves which are displayed on a video screen. The termination frequency of the energy spectral density curve may be compared with a predetermined empirical scale to determine whether a igh quality bond, good bond, or debond is present at the point of impact.
Can EPR non-locality be geometrical?
Ne`eman, Y. |; Botero, A.
1995-10-01
The presence in Quantum Mechanics of non-local correlations is one of the two fundamentally non-intuitive features of that theory. The non-local correlations themselves fall into two classes: EPR and Geometrical. The non-local characteristics of the geometrical type are well-understood and are not suspected of possibly generating acausal features, such as faster-than-light propagation of information. This has especially become true since the emergence of a geometrical treatment for the relevant gauge theories, i.e. Fiber Bundle geometry, in which the quantum non-localities are seen to correspond to pure homotopy considerations. This aspect is reviewed in section 2. Contrary-wise, from its very conception, the EPR situation was felt to be paradoxical. It has been suggested that the non-local features of EPR might also derive from geometrical considerations, like all other non-local characteristics of QM. In[7], one of the authors was able to point out several plausibility arguments for this thesis, emphasizing in particular similarities between the non-local correlations provided by any gauge field theory and those required by the preservation of the quantum numbers of the original EPR state-vector, throughout its spatially-extended mode. The derivation was, however, somewhat incomplete, especially because of the apparent difference between, on the one hand, the closed spatial loops arising in the analysis of the geometrical non-localities, from Aharonov-Bohm and Berry phases to magnetic monopoles and instantons, and on the other hand, in the EPR case, the open line drawn by the positions of the two moving decay products of the disintegrating particle. In what follows, the authors endeavor to remove this obstacle and show that as in all other QM non-localities, EPR is somehow related to closed loops, almost involving homotopy considerations. They develop this view in section 3.
A GEOMETRICAL HEIGHT SCALE FOR SUNSPOT PENUMBRAE
Puschmann, K. G.; Ruiz Cobo, B.; MartInez Pillet, V. E-mail: brc@iac.e
2010-09-10
Inversions of spectropolarimetric observations of penumbral filaments deliver the stratification of different physical quantities in an optical depth scale. However, without establishing a geometrical height scale, their three-dimensional geometrical structure cannot be derived. This is crucial in understanding the correct spatial variation of physical properties in the penumbral atmosphere and to provide insights into the mechanism capable of explaining the observed penumbral brightness. The aim of this work is to determine a global geometrical height scale in the penumbra by minimizing the divergence of the magnetic field vector and the deviations from static equilibrium as imposed by a force balance equation that includes pressure gradients, gravity, and the Lorentz force. Optical depth models are derived from the inversion of spectropolarimetric data of an active region observed with the Solar Optical Telescope on board the Hinode satellite. We use a genetic algorithm to determine the boundary condition for the inference of geometrical heights. The retrieved geometrical height scale permits the evaluation of the Wilson depression at each pixel and the correlation of physical quantities at each height. Our results fit into the uncombed penumbral scenario, i.e., a penumbra composed of flux tubes with channeled mass flow and with a weaker and more horizontal magnetic field as compared with the background field. The ascending material is hotter and denser than their surroundings. We do not find evidence of overturning convection or field-free regions in the inner penumbral area analyzed. The penumbral brightness can be explained by the energy transfer of the ascending mass carried by the Evershed flow, if the physical quantities below z = -75 km are extrapolated from the results of the inversion.
Katzman, M.T.
1989-01-01
Societal risk management in industrial democracies relies upon mechanisms of prior restraint rather than on responsibility for the consequence of accidents. The evolution of risk management from one based upon private, voluntary standard of risk management from one based upon private, voluntary standard setting to one based upon restraint is reviewed. While insurance and bonding historically have played a major role in private management of catastrophic risks, their role has been underutilized in the current, restraint-based mode. The conditions under the insurance and bonding that can serve as a tool for risk regulation are illustrated in the arena of toxic pollution risks. 45 refs., 1 fig.
NASA Technical Reports Server (NTRS)
Ferrante, J.; Smith, J. R.; Rose, J. H.
1984-01-01
Although metallic adhesion has played a central part in much tribological speculation, few quantitative theoretical calculations are available. This is in part because of the difficulties involved in such calculations and in part because the theoretical physics community is not particularly involved with tribology. The calculations currently involved in metallic adhesion are summarized and shown that these can be generalized into a scaled universal relationship. Relationships exist to other types of covalent bonding, such as cohesive, chemisorptive, and molecular bonding. A simple relationship between surface energy and cohesive energy is offered.
An integrated approach to the synthesis of geometrically non-linear structures
NASA Technical Reports Server (NTRS)
Smaoui, H.; Schmit, L. A.
1988-01-01
An integrated approach to the minimum weight design of geometrically nonlinear three-dimensional truss structures with geometric imperfections, subject to inequality constraints on static displacements, stresses, local buckling and cross sectional areas, is investigated. The integrated structural synthesis problem involves design and response quantities as independent variables and equilibrium equations, describing the finite element model, as equality constraints. The nonlinear structural analysis and the optimization are thus merged together into a single process. A computer program developed to compute the constraint values and analytical gradients is coupled with a generalized reduced gradient algorithm to solve the integrated problem. Numerical results for a geometrically nonlinear shallow dome example problem are presented for various types of imperfections. Furthermore, it is found that the algorithm is capable of detecting and guarding against system as well as element elastic instability using equilibrium information only, that is, without imposing system and local buckling inequality constraints.
Evaluation of geometrical contributions to the spread of the Compton-scatter energy distribution
NASA Astrophysics Data System (ADS)
Hanson, A. L.; Gigante, G. E.
1989-07-01
The spectrum from Compton-scattered x rays is an inherently broad distribution. This distribution is the sum of several Gaussian-like distributions, which gives the sum its unique shape. The Gaussian-like distributions are the result of convoluting the so-called Compton profile, the spread in the scattered-x-ray energies due to the momentum distributions of the target electrons, with the detector response and the geometrical effects. The distribution is then further modified by the absorption within the sample. A formulation for both qualitatively and quantitatively determining the magnitude of the geometrical contributions is presented. This formulation is based on a recently devised approach to the scattering geometry [Hanson, Gigante, Meron, Phys. Rev. Lett. 61, 135 (1988)]. A methodology for determining the geometrical spread in the energy of the scattered x rays is presented. The results can be conveniently used to optimize scattering geometries for the reduction of the geometry-caused spread.
NASA Astrophysics Data System (ADS)
Chan, Matthew Wei-Jen
Complex engineering systems ranging from automobile engines to geothermal wells require specialized sensors to monitor conditions such as pressure, acceleration and temperature in order to improve efficiency and monitor component lifetime in what may be high temperature, corrosive, harsh environments. Microelectromechanical systems (MEMS) have demonstrated their ability to precisely and accurately take measurements under such conditions. The systems being monitored are typically made from metals, such as steel, while the MEMS sensors used for monitoring are commonly fabricated from silicon, silicon carbide and aluminum nitride, and so there is a sizable thermal expansion mismatch between the two. For these engineering applications the direct bonding of MEMS sensors to the components being monitored is often required. This introduces several challenges, namely the development of a bond that is capable of surviving high temperature harsh environments while mitigating the thermally induced strains produced during bonding. This project investigates the development of a robust packaging and bonding process, using the gold-tin metal system and the solid-liquid interdiffusion (SLID) bonding process, to join silicon carbide substrates directly to type-316 stainless steel. The SLID process enables bonding at lower temperatures while producing a bond capable of surviving higher temperatures. Finite element analysis was performed to model the thermally induced strains generated in the bond and to understand the optimal way to design the bond. The cross-sectional composition of the bonds has been analyzed and the bond strength has been investigated using die shear testing. The effects of high temperature aging on the bond's strength and the metallurgy of the bond were studied. Additionally, loading of the bond was performed at temperatures over 415 °C, more than 100 °C, above the temperature used for bonding, with full survival of the bond, thus demonstrating the benefit of SLID bonding for high temperature applications. Lastly, this dissertation provides recommendations for improving the strength and durability of the bond at temperatures of 400 °C and provides the framework for future work in the area of high temperature harsh environment MEMS packaging that would take directly bonded MEMS to temperatures of 600 °C and beyond.
Shabanpoor, Fazel; Hossain, Mohammed Akhter; Lin, Feng; Wade, John D
2013-01-01
Numerous methods have been developed for the formation of disulfide bonds in recombinant DNA-derived and chemically synthesized peptides and proteins, but only a few have found widespread acceptance. The choice of method(s) for formation of disulfide in synthetic peptides and proteins needs to be tailored for each individual polypeptide in such a way so that the reaction conditions are selective, efficient, and safe and give the maximum yield. Here we describe the sequential formation of three disulfide bonds regioselectively which has been optimized for the synthesis of two-chained, heterodimeric polypeptide members of the insulin-relaxin superfamily. PMID:23943479
Geometric frustration on a 1/9th site depleted triangular lattice
NASA Astrophysics Data System (ADS)
Hopkinson, John; Beck, Jarrett
2013-03-01
In the searches both for new spin liquid and spin ice (artificial and macroscopic) candidates, geometrically frustrated two-dimensional spin systems have played a prominent role. Here we present a study of the classical antiferromagnetic Ising (AFI) model on the sorrel net, a 1/9th site depleted and 1/7th bond depleted triangular lattice. The AFI model on this corner-shared triangle net is found to have a large residual entropy per spin S/N = 0 . 48185 +/- 0 . 00008 , indicating the sorrel net is highly geometrically frustrated. Anticipating that it may be difficult to achieve perfect bond depletion, we investigate the physics resulting from turning back on the depleted bonds (J2). We present the phase diagram, analytic expressions for the long range partially ordered ground state spin structure for antiferromagnetic J2 and the short range ordered ground state spin structure for ferromagnetic J2, the magnetic susceptibility and the static structure factor. We briefly comment on the possibility that artificial spin ice on the sorrel lattice could by made, and on a recent report [T. D. Keene et al., Dalton Trans. 40 2983 (2011)] of the creation of a 1/9th depleted cobalt hydroxide oxalate. This work was supported by NSERC (JMH) and NSERC USRA (JJB)
ERIC Educational Resources Information Center
Richards, Lynn V.; Coventry, Kenny R.; Clibbens, John
2004-01-01
The effect of both geometric and extra-geometric factors on children's production of "in" is reported (free-response paradigm). Eighty children across four age groups (means 4;1, 5;5, 6;1, and 7;1) were shown video scenes of puppets placing real objects in various positions with reference to a bowl and a plate. Located objects were placed at threeâ€¦
Flax Fiber - Interfacial Bonding
Technology Transfer Automated Retrieval System (TEKTRAN)
Measured flax fiber physical and chemical properties potentially impact bonding and thus stress transfer between the matrix and fiber within composites. These first attempts at correlating flax fiber quality and biofiber composites contain the initial steps towards identifying key flax fiber charac...
Dialogic Bonds and Boundaries.
ERIC Educational Resources Information Center
Khawaja, Mabel
A study of literature cannot be divorced from cultural contexts, nor can it ignore the humanist vision in interpreting literary texts. To discover dialogic bonds and boundaries between the reader and the text, or the writer and the audience, English classes should have two objectives: (1) to explore the diversity of perspectives, and (2) to relate…
ERIC Educational Resources Information Center
Akeroyd, F. Michael
1982-01-01
Discusses merits of using sigma-pi model of ethylene as a teaching aid in introductory organic chemistry. The nonmathematical treatment of sigma-pi bonding is then extended to such phenomena as conjugation, hyperconjugation, Markovnikoff addition, aromaticity, and aromatic substitution. (SK)
Redmond, Robert W.; Kochevar, Irene E.
2012-01-10
Photochemical tissue bonding methods include the application of a photosensitizer to a tissue and/or tissue graft, followed by irradiation with electromagnetic energy to produce a tissue seal. The methods are useful for tissue adhesion, such as in wound closure, tissue grafting, skin grafting, musculoskeletal tissue repair, ligament or tendon repair and corneal repair.
ERIC Educational Resources Information Center
Holden, Alan
The field of inquiry into how atoms are bonded together to form molecules and solids crosses the borderlines between physics and chemistry encompassing methods characteristic of both sciences. At one extreme, the inquiry is pursued with care and rigor into the simplest cases; at the other extreme, suggestions derived from the more careful inquiry…
Spectral weighted geometric phase for mixed quantum states
NASA Astrophysics Data System (ADS)
Andersson, Ole; Heydari, Hoshang
2014-12-01
Geometric phase has found a broad spectrum of applications in both classical and quantum physics. In this work we discuss a geometric phase for mixed quantum states based on traces of spectral weighted holonomies. Our approach applies to general unitary evolutions of both nondegenerate and degenerate mixed states, and it generalizes the standard definition of geometric phase for mixed states, which is based on quantum interferometry. We provide an explicit formula for the geometric phase that can be easily implemented for computations in quantum physics, and we discuss higher order analogs of the geometric phase that might be defined at points where the ordinary geometric phase is undefined.
Elmi, Maryam Mitra; Kaykhaei, Abbas Ali; Elmi, Fatemeh
2012-04-01
The calculations of nitrogen-14 nuclear quadrupole parameters, nuclear quadrupole coupling constant, ?, and asymmetry parameter, ?, of L-His were done in two distinct environments: one as a free fully optimized molecule, an isolated molecule with the geometrical parameters taken from X-ray, and the other in the orthorhombic and monoclinic solid states. The most probable interacting molecules with the central molecule in the crystalline phase were considered in the hexameric clusters to include hydrogen-bonding effects in the calculations. The computations were performed with PW91P86/6-31++G** and B3LYP6-31++G** methods using the Gaussian 98 program. The good agreement between the nitrogen-14 quadrupole parameters of the free His and imidazole molecules with their microwave available data demonstrates that the applied level of theory and the 6-31++G** basis set are suitable to obtain reliable electric field gradient values. In the solid state, the shifts of quadrupole coupling parameters from the monomer to the solid phase are reasonably well reproduced for the amino and imino sites of imidazole ring in a hexameric cluster. That implies the fact that the hexameric cluster worked effectively to generate the results which are compatible with the experiment. The quadrupole coupling constant values of -N(+) H(3) group are in fair agreement with the experiment. This discrepancy is due to the absences of vibrational effects and the rotation of -N(+) H(3) group around N-C(?) bond. PMID:22415677
Universal geometrical scaling of the elliptic flow
NASA Astrophysics Data System (ADS)
Andrés, C.; Dias de Deus, J.; Moscoso, A.; Pajares, C.; Salgado, Carlos A.
2015-03-01
The presence of scaling variables in experimental observables provide very valuable indications of the dynamics underlying a given physical process. In the last years, the search for geometric scaling, that is the presence of a scaling variable which encodes all geometrical information of the collision as well as other external quantities as the total energy, has been very active. This is motivated, in part, for being one of the genuine predictions of the Color Glass Condensate formalism for saturation of partonic densities. Here we extend these previous findings to the case of experimental data on elliptic flow. We find an excellent scaling for all centralities and energies, from RHIC to LHC, with a simple generalization of the scaling previously found for other observables and systems. Interestingly, the case of the photons, difficult to reconcile in most formalisms, nicely fit the scaling curve. We discuss on the possible interpretations of this finding in terms of initial or final state effects.
Geometrical approach to gaussian beam propagation.
Laures, P
1967-04-01
The curvature of the wavefront and the spot size of a propagating Gaussian beam may be determined from simple geometrical transformations of the lateral foci. The analysis starts from the construction of the lateral foci in the case of a spherical Fabry-Perot. Then the cases of Gaussian beam propagation through media with different refractive indices, lenses, and simple optical systems are treated. Constructions show how propagation in the image space is readily determined in each case. This analysis is the generalization of the technique outlined by Deschamps and Mast. The geometrical constructions developed for simple cases are applied to the design of some special cases of interest in laser optics: cavities by a lens, laser zoom telescope, and ring cavity. PMID:20057839
Geometric stability of topological lattice phases
Jackson, T. S.; MÃ¶ller, Gunnar; Roy, Rahul
2015-01-01
The fractional quantum Hall (FQH) effect illustrates the range of novel phenomena which can arise in a topologically ordered state in the presence of strong interactions. The possibility of realizing FQH-like phases in models with strong lattice effects has attracted intense interest as a more experimentally accessible venue for FQH phenomena which calls for more theoretical attention. Here we investigate the physical relevance of previously derived geometric conditions which quantify deviations from the Landau level physics of the FQHE. We conduct extensive numerical many-body simulations on several lattice models, obtaining new theoretical results in the process, and find remarkable correlation between these conditions and the many-body gap. These results indicate which physical factors are most relevant for the stability of FQH-like phases, a paradigm we refer to as the geometric stability hypothesis, and provide easily implementable guidelines for obtaining robust FQH-like phases in numerical or real-world experiments. PMID:26530311
Geometrical geodesy techniques in Goddard earth models
NASA Technical Reports Server (NTRS)
Lerch, F. J.
1974-01-01
The method for combining geometrical data with satellite dynamical and gravimetry data for the solution of geopotential and station location parameters is discussed. Geometrical tracking data (simultaneous events) from the global network of BC-4 stations are currently being processed in a solution that will greatly enhance of geodetic world system of stations. Previously the stations in Goddard earth models have been derived only from dynamical tracking data. A linear regression model is formulated from combining the data, based upon the statistical technique of weighted least squares. Reduced normal equations, independent of satellite and instrumental parameters, are derived for the solution of the geodetic parameters. Exterior standards for the evaluation of the solution and for the scale of the earth's figure are discussed.
Geometric stability of topological lattice phases.
Jackson, T S; Möller, Gunnar; Roy, Rahul
2015-01-01
The fractional quantum Hall (FQH) effect illustrates the range of novel phenomena which can arise in a topologically ordered state in the presence of strong interactions. The possibility of realizing FQH-like phases in models with strong lattice effects has attracted intense interest as a more experimentally accessible venue for FQH phenomena which calls for more theoretical attention. Here we investigate the physical relevance of previously derived geometric conditions which quantify deviations from the Landau level physics of the FQHE. We conduct extensive numerical many-body simulations on several lattice models, obtaining new theoretical results in the process, and find remarkable correlation between these conditions and the many-body gap. These results indicate which physical factors are most relevant for the stability of FQH-like phases, a paradigm we refer to as the geometric stability hypothesis, and provide easily implementable guidelines for obtaining robust FQH-like phases in numerical or real-world experiments. PMID:26530311
Geometric phase shifts in biological oscillators.
Tourigny, David S
2014-08-21
Many intracellular processes continue to oscillate during the cell cycle. Although it is not well-understood how they are affected by discontinuities in the cellular environment, the general assumption is that oscillations remain robust provided the period of cell divisions is much larger than the period of the oscillator. Here, I will show that under these conditions a cell will in fact have to correct for an additional quantity added to the phase of oscillation upon every repetition of the cell cycle. The resulting phase shift is an analogue of the geometric phase, a curious entity first discovered in quantum mechanics. In this letter, I will discuss the theory of the geometric phase shift and demonstrate its relevance to biological oscillations. PMID:24769251
Differential geometric approach to atmospheric refraction.
NASA Astrophysics Data System (ADS)
Kropla, W. C.; Lehn, W. H.
1992-04-01
Differential geometric techniques are presented and used to model the optical properties of the atmosphere under conditions that produce superior mirages. Optical path length replaces the usual Euclidean metric as a distance-measuring function and is used to construct a surface on which the paths of light rays are geodesics. The geodesic equations are shown to be equivalent to the ray equation in the plane. A differential equation that relates the Gaussian curvature of the surface and the refractive index of the atmosphere is derived. This equation is solved for the cases in which the curvature vanishes or is constant. Illustrative examples based on observation demonstrate the use of geometric techniques in the analysis of mirage images.
Geometric phase in inhomogeneous optical nutation
NASA Astrophysics Data System (ADS)
Yu, Yanxia; Pan, Hui; Xue, Liyuan; Guo, Liping; Wang, Zisheng
2015-11-01
Optical nutation and its geometric phase are investigated in terms of an inhomogeneous Bloch equation with a constant term. The analytic solution of optical nutation is obtained by mapping it onto a Bloch sphere structure. We find that a constant, from the equilibrium value of the population inversion in the absence of the laser beam, trends to keep the quantum coherence and is helpful to preserve quantum message. We show that the Berry phase of optical nutation is related to the inner evolution in processing of the optical nutation under a quasicyclic evolution. Furthermore, we find that the Berry phases of two-state mixture change very slowly with its environment variable so as to be robust against the decoherent effect. Our results provide a guidance to implement fault-tolerant geometric quantum computation in the echo approach with an inhomogeneous Bloch equation.
Geometric modeling for computer aided design
NASA Technical Reports Server (NTRS)
Schwing, James L.
1993-01-01
Over the past several years, it has been the primary goal of this grant to design and implement software to be used in the conceptual design of aerospace vehicles. The work carried out under this grant was performed jointly with members of the Vehicle Analysis Branch (VAB) of NASA LaRC, Computer Sciences Corp., and Vigyan Corp. This has resulted in the development of several packages and design studies. Primary among these are the interactive geometric modeling tool, the Solid Modeling Aerospace Research Tool (smart), and the integration and execution tools provided by the Environment for Application Software Integration and Execution (EASIE). In addition, it is the purpose of the personnel of this grant to provide consultation in the areas of structural design, algorithm development, and software development and implementation, particularly in the areas of computer aided design, geometric surface representation, and parallel algorithms.
Geometric stability of topological lattice phases
NASA Astrophysics Data System (ADS)
Jackson, T. S.; Möller, Gunnar; Roy, Rahul
2015-11-01
The fractional quantum Hall (FQH) effect illustrates the range of novel phenomena which can arise in a topologically ordered state in the presence of strong interactions. The possibility of realizing FQH-like phases in models with strong lattice effects has attracted intense interest as a more experimentally accessible venue for FQH phenomena which calls for more theoretical attention. Here we investigate the physical relevance of previously derived geometric conditions which quantify deviations from the Landau level physics of the FQHE. We conduct extensive numerical many-body simulations on several lattice models, obtaining new theoretical results in the process, and find remarkable correlation between these conditions and the many-body gap. These results indicate which physical factors are most relevant for the stability of FQH-like phases, a paradigm we refer to as the geometric stability hypothesis, and provide easily implementable guidelines for obtaining robust FQH-like phases in numerical or real-world experiments.
Topological minimally entangled states via geometric measure
NASA Astrophysics Data System (ADS)
Buerschaper, Oliver; García-Saez, Artur; Orús, Román; Wei, Tzu-Chieh
2014-11-01
Here we show how the Minimally Entangled States (MES) of a 2d system with topological order can be identified using the geometric measure of entanglement. We show this by minimizing this measure for the doubled semion, doubled Fibonacci and toric code models on a torus with non-trivial topological partitions. Our calculations are done either quasi-exactly for small system sizes, or using the tensor network approach in Orús et al (arXiv:1406.0585) for large sizes. As a byproduct of our methods, we see that the minimisation of the geometric entanglement can also determine the number of Abelian quasiparticle excitations in a given model. The results in this paper provide a very efficient and accurate way of extracting the full topological information of a 2d quantum lattice model from the multipartite entanglement structure of its ground states.
The classical geometrization of the electromagnetism
NASA Astrophysics Data System (ADS)
de Araujo Duarte, Celso
2015-08-01
Following the line of the history, if by one side the electromagnetic theory was consolidated on the 19th century, the emergence of the special and the general relativity theories on the 20th century opened possibilities of further developments, with the search for the unification of the gravitation and the electromagnetism on a single unified theory. Some attempts to the geometrization of the electromagnetism emerged in this context, where these first models resided strictly on a classical basis. Posteriorly, they were followed by more complete and embracing quantum field theories. The present work reconsiders the classical viewpoint, with the purpose of showing that at first-order of approximation the electromagnetism constitutes a geometric structure aside other phenomena as gravitation, and that magnetic monopoles do not exist at least up to this order of approximation. Even though being limited, the model is consistent and offers the possibility of an experimental test of validity.
Multiphase flow in geometrically simple fracture intersections
Basagaoglu, H.; Meakin, P.; Green, C.T.; Mathew, M.
2006-01-01
A two-dimensional lattice Boltzmann (LB) model with fluid-fluid and solid-fluid interaction potentials was used to study gravity-driven flow in geometrically simple fracture intersections. Simulated scenarios included fluid dripping from a fracture aperture, two-phase flow through intersecting fractures and thin-film flow on smooth and undulating solid surfaces. Qualitative comparisons with recently published experimental findings indicate that for these scenarios the LB model captured the underlying physics reasonably well.
Generalized Chaplygin gas as geometrical dark energy
Heydari-Fard, M.; Sepangi, H. R.
2007-11-15
The generalized Chaplygin gas provides an interesting candidate for the present accelerated expansion of the universe. We explore a geometrical explanation for the generalized Chaplygin gas within the context of brane world theories where matter fields are confined to the brane by means of the action of a confining potential. We obtain the modified Friedmann equations, deceleration parameter, and age of the universe in this scenario and show that they are consistent with the present observational data.
Geometric continuum regularization of quantum field theory
Halpern, M.B. . Dept. of Physics)
1989-11-08
An overview of the continuum regularization program is given. The program is traced from its roots in stochastic quantization, with emphasis on the examples of regularized gauge theory, the regularized general nonlinear sigma model and regularized quantum gravity. In its coordinate-invariant form, the regularization is seen as entirely geometric: only the supermetric on field deformations is regularized, and the prescription provides universal nonperturbative invariant continuum regularization across all quantum field theory. 54 refs.
Geometric Transitions and Dynamical SUSY Breaking
Aganagic, Mina; Beem, Christopher; Kachru, Shamit; /UC, Berkeley /SLAC
2007-10-01
We show that the physics of D-brane theories that exhibit dynamical SUSY breaking due to stringy instanton effects is well captured by geometric transitions, which recast the non-perturbative superpotential as a classical flux superpotential. This allows for simple engineering of Fayet, Polonyi, O'Raifeartaigh, and other canonical models of supersymmetry breaking in which an exponentially small scale of breaking can be understood either as coming from stringy instantons or as arising from the classical dynamics of fluxes.
Broadband Hybrid Holographic Multiplexing with Geometric Metasurfaces.
Huang, Lingling; Mühlenbernd, Holger; Li, Xiaowei; Song, Xu; Bai, Benfeng; Wang, Yongtian; Zentgraf, Thomas
2015-11-01
An effective way for broadband holographic multiplexing based on geometric metasurfaces is demonstrated by the integration of several recording channels into a single device. Each image can be individually addressed with a unique set of parameters, such as circular polarization, position, and angle. Such a technique paves the way for a wide range of applications related to optical patterning, encryption, and information processing. PMID:26398589
New geometric continuity solution of parametric surfaces
NASA Astrophysics Data System (ADS)
Skala, Vaclav
2013-10-01
This paper presents a new approach to computation of geometric continuity for parametric bi-cubic patches, based on a simple mathematical reformulation which leads to simple additional conditions to be applied in the patching computation. The paper presents an Hermite formulation of a bicubic parametric patch, but reformulations can be made also for Bézier and B-Spline patches as well. The presented approach is convenient for the cases when valencies of corners are different from the value 4, in general.
Fast decoding algorithms for geometric coded apertures
NASA Astrophysics Data System (ADS)
Byard, Kevin
2015-12-01
Fast decoding algorithms are described for the class of coded aperture designs known as geometric coded apertures which were introduced by Gourlay and Stephen. When compared to the direct decoding method, the algorithms significantly reduce the number of calculations required when performing the decoding for these apertures and hence speed up the decoding process. Experimental tests confirm the efficacy of these fast algorithms, demonstrating a speed up of approximately two to three orders of magnitude over direct decoding.
The geometric phase controls ultracold chemistry
Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.
2015-07-30
In this study, the geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Bornâ€“Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O + OH â†’ H + O2moreÂ Â» reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.Â«Â less
Geometrical branching model: Correlations and jets
NASA Astrophysics Data System (ADS)
Hwa, Rudolph C.
1988-04-01
A geometrical model for multiparticle production at low as well as high pT is discussed. Below the threshold of substantial production of jets, the model has geometrical scaling and Koba-Nielsen-Olesen scaling, the latter being a result of Furry branching in multiplicity distribution at each impact parameter. Above the threshold the production of jets is explicitly taken into account by use of perturbative QCD. The separation into soft and hard components is done in the eikonal formalism consistent with unitarity. Geometrical scaling defines the soft component of the eikonal function. The hard component is related to the jet-production cross section; the pT cutoff is not chosen arbitrarily, but is to be determined by ?el and ?tot. Forward-backward multiplicity correlation can be calculated separately for the cases of no jets and with jets. The emphasis in this paper is on the formalism of the model. The procedure to determine the multiplicity distribution at all s is discussed.
Landsat-5 bumper-mode geometric correction
Storey, J.C.; Choate, Michael J.
2004-01-01
The Landsat-5 Thematic Mapper (TM) scan mirror was switched from its primary operating mode to a backup mode in early 2002 in order to overcome internal synchronization problems arising from long-term wear of the scan mirror mechanism. The backup bumper mode of operation removes the constraints on scan start and stop angles enforced in the primary scan angle monitor operating mode, requiring additional geometric calibration effort to monitor the active scan angles. It also eliminates scan timing telemetry used to correct the TM scan geometry. These differences require changes to the geometric correction algorithms used to process TM data. A mathematical model of the scan mirror's behavior when operating in bumper mode was developed. This model includes a set of key timing parameters that characterize the time-varying behavior of the scan mirror bumpers. To simplify the implementation of the bumper-mode model, the bumper timing parameters were recast in terms of the calibration and telemetry data items used to process normal TM imagery. The resulting geometric performance, evaluated over 18 months of bumper-mode operations, though slightly reduced from that achievable in the primary operating mode, is still within the Landsat specifications when the data are processed with the most up-to-date calibration parameters.
Geometric Morphometrics of Rodent Sperm Head Shape
Varea Sánchez, María; Bastir, Markus; Roldan, Eduardo R. S.
2013-01-01
Mammalian spermatozoa, particularly those of rodent species, are extremely complex cells and differ greatly in form and dimensions. Thus, characterization of sperm size and, particularly, sperm shape represents a major challenge. No consensus exists on a method to objectively assess size and shape of spermatozoa. In this study we apply the principles of geometric morphometrics to analyze rodent sperm head morphology and compare them with two traditional morphometry methods, that is, measurements of linear dimensions and dimensions-derived parameters calculated using formulae employed in sperm morphometry assessments. Our results show that geometric morphometrics clearly identifies shape differences among rodent spermatozoa. It is also capable of discriminating between size and shape and to analyze these two variables separately. Thus, it provides an accurate method to assess sperm head shape. Furthermore, it can identify which sperm morphology traits differ between species, such as the protrusion or retraction of the base of the head, the orientation and relative position of the site of flagellum insertion, the degree of curvature of the hook, and other distinct anatomical features and appendices. We envisage that the use of geometric morphometrics may have a major impact on future studies focused on the characterization of sperm head formation, diversity of sperm head shape among species (and underlying evolutionary forces), the effects of reprotoxicants on changes in cell shape, and phenotyping of genetically-modified individuals. PMID:24312234
The geometric and the atomic world views
Bohr, Aage; Mottelson, Ben R.; Ulfbeck, Ole
2008-01-01
The atomic world view is based on the notion that matter is built of elementary constituents called atoms, and quantum mechanics was created in the pursuit of this view with probabilistic events caused by atomic particles. This conception involves unresolved ambiguities linked to the notion of an elementary quantum of action. The resolution of these problems in quantum mechanics requires a new, geometric, world view, which recognizes the occurrence of events, clicks in counters, coming without a cause, referred to as fortuitous. The possibility of a rational theory of probabilities for such events is based on the assignment to the individual click of a proper value of an element of (flat) space–time symmetry. Thereby, the distributions of uncaused clicks can be endowed with a geometric content in terms of the irreducible representations of space–time symmetry. Through fortuity, space–time invariance itself thus acquires a hitherto unrecognized role. Departing from the norms of physical theory, the uncaused click is not a measurement of something, and the reality mirrored in the distributions is the geometry of space time itself, and not a property of an imagined object. The geometric world view involves only the dimensions of space and time, and the absence of an irreducible dimension of mass is seen as the result of the discovery of new physical phenomena. Accordingly Planck's constant has no place in fundamental theory and is seen as a relic of dimensions that have become superfluous.
Salt Bridges: Geometrically Specific, Designable Interactions
Donald, Jason E.; Kulp, Daniel W.; DeGrado, William F.
2010-01-01
Salt bridges occur frequently in proteins, providing conformational specificity and contributing to molecular recognition and catalysis. We present a comprehensive analysis of these interactions in protein structures by surveying a large database of protein structures. Salt bridges between Asp or Glu and His, Arg, or Lys display extremely well-defined geometric preferences. Several previously observed preferences are confirmed and others that were previously unrecognized are discovered. Salt bridges are explored for their preferences for different separations in sequence and in space, geometric preferences within proteins and at protein-protein interfaces, cooperativity in networked salt bridges, inclusion within metal-binding sites, preference for acidic electrons, apparent conformational side chain entropy reduction upon formation, and degree of burial. Salt bridges occur far more frequently between residues at close than distant sequence separations, but at close distances there remain strong preferences for salt bridges at specific separations. Specific types of complex salt bridges, involving three or more members, are also discovered. As we observe a strong relationship between the propensity to form a salt bridge and the placement of salt-bridging residues in protein sequences, we discuss the role that salt bridges might play in kinetically influencing protein folding and thermodynamically stabilizing the native conformation. We also develop a quantitative method to select appropriate crystal structure resolution and B-factor cutoffs. Detailed knowledge of these geometric and sequence dependences should aid de novo design and prediction algorithms. PMID:21287621
Advanced Stress, Strain And Geometrical Analysis In Semiconductor Devices
Neels, Antonia; Dommann, Alex; Niedermann, Philippe; Farub, Claudiu; Kaenel, Hans von
2010-11-24
High stresses and defect densities increases the risk of semiconductor device failure. Reliability studies on potential failure sources have an impact on design and are essential to assure the long term functioning of the device. Related to the dramatically smaller volume of semiconductor devices and new bonding techniques on such devices, new methods in testing and qualification are needed. Reliability studies on potential failure sources have an impact on design and are essential to assure the long term functioning of the device. In this paper, the applications of advanced High Resolution X-ray Diffraction (HRXRD) methods in strain, defect and deformation analysis on semiconductor devices are discussed. HRXRD with Rocking Curves (RC's) and Reciprocal Space Maps (RSM's) is used as accurate, non-destructive experimental method to evaluate the crystalline quality, and more precisely for the given samples, the in-situ strain, defects and geometrical parameters such as tilt and bending of device. The combination with advanced FEM simulations gives the possibility to support efficiently semiconductor devices design.
The Calculation of Accurate Metal-Ligand Bond Energies
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W.; Partridge, Harry, III; Ricca, Alessandra; Arnold, James O. (Technical Monitor)
1997-01-01
The optimization of the geometry and calculation of zero-point energies are carried out at the B3LYP level of theory. The bond energies are determined at this level, as well as at the CCSD(T) level using very large basis sets. The successive OH bond energies to the first row transition metal cations are reported. For most systems there has been an experimental determination of the first OH. In general, the CCSD(T) values are in good agreement with experiment. The bonding changes from mostly covalent for the early metals to mostly electrostatic for the late transition metal systems.
Monte Carlo based geometrical model for efficiency calculation of an n-type HPGe detector.
Cabal, Fatima Padilla; Lopez-Pino, Neivy; Bernal-Castillo, Jose Luis; Martinez-Palenzuela, Yisel; Aguilar-Mena, Jimmy; D'Alessandro, Katia; Arbelo, Yuniesky; Corrales, Yasser; Diaz, Oscar
2010-12-01
A procedure to optimize the geometrical model of an n-type detector is described. Sixteen lines from seven point sources ((241)Am, (133)Ba, (22)Na, (60)Co, (57)Co, (137)Cs and (152)Eu) placed at three different source-to-detector distances (10, 20 and 30 cm) were used to calibrate a low-background gamma spectrometer between 26 and 1408 keV. Direct Monte Carlo techniques using the MCNPX 2.6 and GEANT 4 9.2 codes, and a semi-empirical procedure were performed to obtain theoretical efficiency curves. Since discrepancies were found between experimental and calculated data using the manufacturer parameters of the detector, a detail study of the crystal dimensions and the geometrical configuration is carried out. The relative deviation with experimental data decreases from a mean value of 18-4%, after the parameters were optimized. PMID:20643556
Geometric phases in sensing and control
NASA Astrophysics Data System (ADS)
Andersson, Sean B.
In many parameter-dependent systems, varying the parameters along a closed path generates a shift in the system depending only on the path itself and not on the manner in which that path is traversed. This effect is known as a geometric phase. In this thesis we focus on developing techniques to utilize geometric phases as engineering tools in both sensing and control. We begin by considering systems undergoing an imposed motion. If this motion is adiabatic then its effect on the system can be described by a geometric phase called the Hannay-Berry phase. Direct information about the imposed motion is obtained by measuring the corresponding phase shift. We illustrate this idea with an equal-sided, spring-jointed, four-bar mechanism and then apply the technique to a vibrating ring gyroscope. In physical systems the imposed motion cannot be truly adiabatic. Using Hamiltonian perturbation theory, we show that the Hannay-Berry phase is the first-order term in a perturbation expansion in the rate of imposed motion. Corrections accounting for the nonadiabatic nature of the imposed motion are then given by carrying the expansion to higher-order. The technique is applied to the vibrating ring gyroscope as an example. We also consider geometric phases in dissipative systems with symmetry. Given such a system with a parameter-dependent, exponentially asymptotically stable equilibrium point, we define a new connection, termed the Landsberg connection, which captures the effect of a cyclic, adiabatic variation of the parameters. Systems with stable, time-dependent solutions are handled by defining an appropriate dynamic phase. A simple example is developed to illustrate the technique. Finally we investigate the role of geometric phases in the control of nonholonomic systems with symmetry through an exploration of the H(3)-Racer, a two-node, one module G-snake on the three-dimensional Heisenberg group. We derive the governing equations for the internal shape of the system and the reconstruction equations relating changes in the shape to the overall motion. The controllability of the system is considered and the effect of various shape changes is explored through simulation.
Kraka, Elfi; Setiawan, Dani; Cremer, Dieter
2016-01-01
A set of 42 molecules with N-F, O-F, N-Cl, P-F, and As-F bonds has been investigated in the search for potential bond anomalies, which lead to reverse bond length-bond strength (BLBS) relationships. The intrinsic strength of each bond investigated has been determined by the local stretching force constant obtained at the CCSD(T)/aug-cc-pVTZ level of theory. N-F or O-F bond anomalies were found for fluoro amine radicals, fluoro amines, and fluoro oxides, respectively. A rationale for the deviation from the normal Badger-type inverse BLBS relation is given and it is shown that electron withdrawal accompanied by strong orbital contraction and bond shortening is one of the prerequisites for a bond anomaly. In the case of short electron-rich bonds such as N-F or O-F, anomeric delocalization of lone pair electrons in connection with lone pair repulsion are decisive whether a bond anomaly can be observed. This is quantitatively assessed with the help of the CCSD(T) local stretching force constants, CCSD(T) charge distributions, and G4 bond dissociation energies. Bond anomalies are not found for fluoro phosphines and fluoro arsines because the bond weakening effects are no longer decisive. © 2015 Wiley Periodicals, Inc. PMID:26515027
Geometric Approaches to Quadratic Equations from Other Times and Places.
ERIC Educational Resources Information Center
Allaire, Patricia R.; Bradley, Robert E.
2001-01-01
Focuses on geometric solutions of quadratic problems. Presents a collection of geometric techniques from ancient Babylonia, classical Greece, medieval Arabia, and early modern Europe to enhance the quadratic equation portion of an algebra course. (KHR)
Mukhopadhyay, Anamika; Pandey, Prasenjit; Chakraborty, Tapas
2010-04-15
In 1:1 CH...O hydrogen bonded complexes between haloforms and ethers, a correlation of the spectral shifts of nu(C-H) bands (Deltanu(C-H)) of the donors (haloforms) with C-O-C angular strain of the acceptors (ethers) is investigated by the electronic structure theory method at the MP2/6-311++G** level. The calculation predicts that the three-member cyclic ether (oxirane) that has the smallest C-O-C angle induces a much larger blue shifting effect on nu(C-H) transition of fluoroform compared with that by the open chain analogue, dimethyl ether. The natural bond orbital (NBO) analysis reveals that the effect originates because of higher "s" character in the hybrid lone electron pair orbital of the oxygen atom of the former, which is responsible for a smaller contribution to n(O) --> sigma*(C-H) hyperconjugation interaction energy between the donor-acceptor molecules. The optimized structures of the two complexes are largely different with respect to the intermolecular orientational parameters at the hydrogen bonding sites, and similar behavior is also predicted for the two chloroform complexes. Partial optimizations on a series of structures show that the total binding energy of the complexes are insensitive with respect to those geometric parameters. However, the Deltanu(C-H), hyperconjugation interaction energies and hybridization of the carbon-centric bonding orbital of the C-H bond are sensitive with respect to those parameters. The predicted Deltanu(C-H) of each complex is analyzed with respect to the IR spectral shift measured by van der Veken and coworkers in cryosolutions of inert gases. The disagreement found between the measured and calculated IR shifts is interpreted to be the outcome of deformation of the complex geometries along shallow binding potential energy surfaces owing to solvation in the liquefied inert gases. PMID:20334425
Neural network solutions to logic programs with geometric constraints
NASA Astrophysics Data System (ADS)
Parikh, Jo Ann; Werkheiser, Anne; Subrahmanian, V. S.
1993-09-01
Hybrid knowledge bases (HKBs), proposed by Nerode and Subrahmanian, provide a uniform theoretical framework for dealing with the mixed data types and multiple reasoning modes required for solving logical deployment problems. Algorithms based on mixed integer linear programming techniques have been developed for the syntactic subset of HKBs corresponding to function-free Prolog-like logic programs. In this study, we examine the ability of neural networks to solve a more comprehensive set of problems expressed within the hybrid knowledge base framework. The objective of this research is to design and implement a nonlinear optimization procedure for solving extended logic programs with neural networks. We focus upon two types of extensions which are typically required in the formulation of logical deployment problems. The first type of extension, which we shall refer to as a Type I extension, consists of embedding numerical and geometric constraints into logic programs. The second type of extension, which we shall call a Type II extension, consists of incorporating optimization problems into logic clauses.
Global-Local Finite Element Analysis for Thermo-Mechanical Stresses in Bonded Joints
NASA Technical Reports Server (NTRS)
Shkarayev, S.; Madenci, Erdogan; Camarda, C. J.
1997-01-01
An analysis of adhesively bonded joints using conventional finite elements does not capture the singular behavior of the stress field in regions where two or three dissimilar materials form a junction with or without free edges. However, these regions are characteristic of the bonded joints and are prone to failure initiation. This study presents a method to capture the singular stress field arising from the geometric and material discontinuities in bonded composites. It is achieved by coupling the local (conventional) elements with global (special) elements whose interpolation functions are constructed from the asymptotic solution.
Methodology and method and appartus for signaling with capacity optimized constellations
NASA Technical Reports Server (NTRS)
Barsoum, Maged F. (Inventor); Jones, Christopher R. (Inventor)
2012-01-01
Communication systems are described that use geometrically shaped constellations that have increased capacity compared to conventional constellations operating within a similar SNR band. In several embodiments, the geometrically shaped is optimized based upon a capacity measure such as parallel decoding capacity or joint capacity. In many embodiments, a capacity optimized geometrically shaped constellation can be used to replace a conventional constellation as part of a firmware upgrade to transmitters and receivers within a communication system. In a number of embodiments, the geometrically shaped constellation is optimized for an Additive White Gaussian Noise channel or a fading channel.
Geometric phase for neutrino propagation in magnetic field
NASA Astrophysics Data System (ADS)
Joshi, Sandeep; Jain, Sudhir R.
2016-03-01
The geometric phase for neutrinos propagating in an adiabatically varying magnetic field in matter is calculated. It is shown that for neutrino propagation in sufficiently large magnetic field the neutrino eigenstates develop a significant geometric phase. The geometric phase varies from 2Ï€ for magnetic fields âˆ¼ fraction of a micro gauss to Ï€ for fields âˆ¼107 gauss or more. The variation of geometric phase with magnetic field parameters is shown and its phenomenological implications are discussed.
Cooperativity in Tetrel Bonds.
MarÃn-Luna, Marta; Alkorta, Ibon; Elguero, JosÃ©
2016-02-01
A theoretical study of the cooperativity in linear chains of (H3SiCN)n and (H3SiNC)n complexes connected by tetrel bonds has been carried out by means of MP2 and CCSD(T) computational methods. In all cases, a favorable cooperativity is observed, especially in some of the largest linear chains of (H3SiNC)n, where the effect is so large that the SiH3 group is almost equidistant to the two surrounding CN groups and it becomes planar. In addition, the combination of tetrel bonds with other weak interactions (halogen, chalcogen, pnicogen, triel, beryllium, lithium, and hydrogen bond) has been explored using ternary complexes, (H3SiCN)2:XY and (H3SiNC)2:XY. In all cases, positive cooperativity is obtained, especially in the (H3SiNC)2:ClF and (H3SiNC)2:SHF ternary complexes, where, respectively, halogen and chalcogen shared complexes are formed. PMID:26756083
Nonadiabatic geometrical quantum gates in semiconductor quantum dots
Solinas, Paolo; Zanghi, Nino; Zanardi, Paolo; Rossi, Fausto
2003-05-01
In this paper, we study the implementation of nonadiabatic geometrical quantum gates with in semiconductor quantum dots. Different quantum information enconding (manipulation) schemes exploiting excitonic degrees of freedom are discussed. By means of the Aharanov-Anandan geometrical phase, one can avoid the limitations of adiabatic schemes relying on adiabatic Berry phase; fast geometrical quantum gates can be, in principle, implemented.
NASA Technical Reports Server (NTRS)
Altshuller, Aubrey P
1955-01-01
The average bond energies D(gm)(B-Z) for boron-containing molecules have been calculated by the Pauling geometric-mean equation. These calculated bond energies are compared with the average bond energies D(exp)(B-Z) obtained from experimental data. The higher values of D(exp)(B-Z) in comparison with D(gm)(B-Z) when Z is an element in the fifth, sixth, or seventh periodic group may be attributed to resonance stabilization or double-bond character.
Code of Federal Regulations, 2010 CFR
2010-10-01
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Code of Federal Regulations, 2013 CFR
2013-10-01
... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...
Code of Federal Regulations, 2011 CFR
2011-10-01
... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...
Code of Federal Regulations, 2014 CFR
2014-10-01
... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...
Code of Federal Regulations, 2012 CFR
2012-10-01
... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form...
Coulombic Models in Chemical Bonding.
ERIC Educational Resources Information Center
Sacks, Lawrence J.
1986-01-01
Compares the coulumbic point charge model for hydrogen chloride with the valence bond model. It is not possible to assign either a nonpolar or ionic canonical form of the valence bond model, while the covalent-ionic bond distribution does conform to the point charge model. (JM)
Obtaining low bond interest rates.
Bittel, S D; Grill, R R
1995-11-01
Healthcare executives whose organizations seek major capital financing through bond offerings typically focus their attention on obtaining the lowest possible bond placement fees for the services of underwriters, legal counsel, accounting firms, and other advisors. However, far greater savings can be achieved by employing a strategic approach to securing low bond interest rates. PMID:10151868
The relative roles of electrostatics and dispersion in the stabilization of halogen bonds.
Riley, Kevin E; Hobza, Pavel
2013-11-01
In this work we highlight recent work aimed at the characterization of halogen bonds. Here we discuss the origins of the ?-hole, the modulation of halogen bond strength by changing of neighboring chemical groups (i.e. halogen bond tuning), the performance of various computational methods in treating halogen bonds, and the strength and character of the halogen bond, the dihalogen bond, and two hydrogen bonds in bromomethanol dimers (which serve as model complexes) are compared. Symmetry adapted perturbation theory analysis of halogen bonding complexes indicates that halogen bonds strongly depend on both dispersion and electrostatics. The electrostatic interaction that occurs between the halogen ?-hole and the electronegative halogen bond donor is responsible for the high degree of directionality exhibited by halogen bonds. Because these noncovalent interactions have a strong dispersion component, it is important that the computational method used to treat a halogen bonding system be chosen very carefully, with correlated methods (such as CCSD(T)) being optimal. It is also noted here that most forcefield-based molecular mechanics methods do not describe the halogen ?-hole, and thus are not suitable for treating systems with halogen bonds. Recent attempts to improve the molecular mechanics description of halogen bonds are also discussed. PMID:24067893
Vector-based model of elastic bonds for simulation of granular solids.
Kuzkin, Vitaly A; Asonov, Igor E
2012-11-01
A model (further referred to as the V model) for the simulation of granular solids, such as rocks, ceramics, concrete, nanocomposites, and agglomerates, composed of bonded particles (rigid bodies), is proposed. It is assumed that the bonds, usually representing some additional gluelike material connecting particles, cause both forces and torques acting on the particles. Vectors rigidly connected with the particles are used to describe the deformation of a single bond. The expression for potential energy of the bond and corresponding expressions for forces and torques are derived. Formulas connecting parameters of the model with longitudinal, shear, bending, and torsional stiffnesses of the bond are obtained. It is shown that the model makes it possible to describe any values of the bond stiffnesses exactly; that is, the model is applicable for the bonds with arbitrary length/thickness ratio. Two different calibration procedures depending on bond length/thickness ratio are proposed. It is shown that parameters of the model can be chosen so that under small deformations the bond is equivalent to either a Bernoulli-Euler beam or a Timoshenko beam or short cylinder connecting particles. Simple analytical expressions, relating parameters of the V model with geometrical and mechanical characteristics of the bond, are derived. Two simple examples of computer simulation of thin granular structures using the V model are given. PMID:23214773
Vector-based model of elastic bonds for simulation of granular solids
NASA Astrophysics Data System (ADS)
Kuzkin, Vitaly A.; Asonov, Igor E.
2012-11-01
A model (further referred to as the V model) for the simulation of granular solids, such as rocks, ceramics, concrete, nanocomposites, and agglomerates, composed of bonded particles (rigid bodies), is proposed. It is assumed that the bonds, usually representing some additional gluelike material connecting particles, cause both forces and torques acting on the particles. Vectors rigidly connected with the particles are used to describe the deformation of a single bond. The expression for potential energy of the bond and corresponding expressions for forces and torques are derived. Formulas connecting parameters of the model with longitudinal, shear, bending, and torsional stiffnesses of the bond are obtained. It is shown that the model makes it possible to describe any values of the bond stiffnesses exactly; that is, the model is applicable for the bonds with arbitrary length/thickness ratio. Two different calibration procedures depending on bond length/thickness ratio are proposed. It is shown that parameters of the model can be chosen so that under small deformations the bond is equivalent to either a Bernoulli-Euler beam or a Timoshenko beam or short cylinder connecting particles. Simple analytical expressions, relating parameters of the V model with geometrical and mechanical characteristics of the bond, are derived. Two simple examples of computer simulation of thin granular structures using the V model are given.
Minimizing dose during fluoroscopic tracking through geometric performance feedback
Siddique, S.; Fiume, E.; Jaffray, D. A.
2011-01-01
Purpose: There is a growing concern regarding the dose delivered during x-ray fluoroscopy guided procedures, particularly in interventional cardiology and neuroradiology, and in real-time tumor tracking radiotherapy and radiosurgery. Many of these procedures involve long treatment times, and as such, there is cause for concern regarding the dose delivered and the associated radiation related risks. An insufficient dose, however, may convey less geometric information, which may lead to inaccuracy and imprecision in intervention placement. The purpose of this study is to investigate a method for achieving the required tracking uncertainty for a given interventional procedure using minimal dose.Methods: A simple model is used to demonstrate that a relationship exists between imaging dose and tracking uncertainty. A feedback framework is introduced that exploits this relationship to modulate the tube current (and hence the dose) in order to maintain the required uncertainty for a given interventional procedure. This framework is evaluated in the context of a fiducial tracking problem associated with image-guided radiotherapy in the lung. A particle filter algorithm is used to robustly track the fiducial as it traverses through regions of high and low quantum noise. Published motion models are incorporated in a tracking test suite to evaluate the dose-localization performance trade-offs.Results: It is shown that using this framework, the entrance surface exposure can be reduced by up to 28.6% when feedback is employed to operate at a geometric tracking uncertainty of 0.3 mm.Conclusions: The analysis reveals a potentially powerful technique for dynamic optimization of fluoroscopic imaging parameters to control the applied dose by exploiting the trade-off between tracking uncertainty and x-ray exposure per frame. PMID:21776784
On the bond distance in methane
NASA Technical Reports Server (NTRS)
Bowen-Jenkins, Philippa; Pettersson, Lars G. M.; Siegbahn, Per; Almloef, Jan; Taylor, Peter R.
1987-01-01
The equilibrium bond distance in methane was optimized using coupled-pair functional and contracted CI wave functions, and a Gaussian basis that includes g-type functions on carbon and d-type functions on hydrogen. The resulting bond distance, when corrected for core-valence correlation effects, agrees with the experimental value of 2.052 a(0) to within the experimental uncertainty of 0.002 a(0). The main source of error in the best previous studies, which showed discrepancies with experiment of 0.007 a(0) is shown to be basis set incompleteness. In particular, it is important that the basis set be close to saturation, at least for the lower angular quantum numbers.
On the bond distance in methane
NASA Technical Reports Server (NTRS)
Bowen-Jenkins, Philippa; Pettersson, Lars G. M.; Siegbahn, Per; Almlof, Jan; Taylor, Peter R.
1988-01-01
The equilibrium bond distance in methane has been optimized using coupled-pair functional and contracted CI wave functions, and a Gaussian basis that includes g-type functions on carbon and d-type functions on hydrogen. The resulting bond distance, when corrected for core-valance correlation effects, agrees with the experimental value of 2.052 a(0) to within the experimental uncertainty of 0.002 a(0). The main source of error in the best previous studies, which showed discrepancies with experiment of 0.007 a(0) is shown to be basis set incompleteness. In particular, it is important that the basis set be close to saturation, at least for the lower angular quantum numbers.
Water lubricates hydrogen-bonded molecular machines.
Panman, Matthijs R; Bakker, Bert H; den Uyl, David; Kay, Euan R; Leigh, David A; Buma, Wybren Jan; Brouwer, Albert M; Geenevasen, Jan A J; Woutersen, Sander
2013-11-01
The mechanical behaviour of molecular machines differs greatly from that of their macroscopic counterparts. This applies particularly when considering concepts such as friction and lubrication, which are key to optimizing the operation of macroscopic machinery. Here, using time-resolved vibrational spectroscopy and NMR-lineshape analysis, we show that for molecular machinery consisting of hydrogen-bonded components the relative motion of the components is accelerated strongly by adding small amounts of water. The translation of a macrocycle along a thread and the rotation of a molecular wheel around an axle both accelerate significantly on the addition of water, whereas other protic liquids have much weaker or opposite effects. We tentatively assign the superior accelerating effect of water to its ability to form a three-dimensional hydrogen-bond network between the moving parts of the molecular machine. These results may indicate a more general phenomenon that helps explain the function of water as the 'lubricant of life'. PMID:24153370
Femtosecond quantum control of molecular bond formation.
Nuernberger, Patrick; Wolpert, Daniel; Weiss, Horst; Gerber, Gustav
2010-06-01
Ultrafast lasers are versatile tools used in many scientific areas, from welding to eye surgery. They are also used to coherently manipulate light-matter interactions such as chemical reactions, but so far control experiments have concentrated on cleavage or rearrangement of existing molecular bonds. Here we demonstrate the synthesis of several molecular species starting from small reactant molecules in laser-induced catalytic surface reactions, and even the increase of the relative reaction efficiency by feedback-optimized laser pulses. We show that the control mechanism is nontrivial and sensitive to the relative proportion of the reactants. The control experiments open up a pathway towards photocatalysis and are relevant for research in physics, chemistry, and biology where light-induced bond formation is important. PMID:20505117
Image quality assessment based on multiscale geometric analysis.
Gao, Xinbo; Lu, Wen; Tao, Dacheng; Li, Xuelong
2009-07-01
Reduced-reference (RR) image quality assessment (IQA) has been recognized as an effective and efficient way to predict the visual quality of distorted images. The current standard is the wavelet-domain natural image statistics model (WNISM), which applies the Kullback-Leibler divergence between the marginal distributions of wavelet coefficients of the reference and distorted images to measure the image distortion. However, WNISM fails to consider the statistical correlations of wavelet coefficients in different subbands and the visual response characteristics of the mammalian cortical simple cells. In addition, wavelet transforms are optimal greedy approximations to extract singularity structures, so they fail to explicitly extract the image geometric information, e.g., lines and curves. Finally, wavelet coefficients are dense for smooth image edge contours. In this paper, to target the aforementioned problems in IQA, we develop a novel framework for IQA to mimic the human visual system (HVS) by incorporating the merits from multiscale geometric analysis (MGA), contrast sensitivity function (CSF), and the Weber's law of just noticeable difference (JND). In the proposed framework, MGA is utilized to decompose images and then extract features to mimic the multichannel structure of HVS. Additionally, MGA offers a series of transforms including wavelet, curvelet, bandelet, contourlet, wavelet-based contourlet transform (WBCT), and hybrid wavelets and directional filter banks (HWD), and different transforms capture different types of image geometric information. CSF is applied to weight coefficients obtained by MGA to simulate the appearance of images to observers by taking into account many of the nonlinearities inherent in HVS. JND is finally introduced to produce a noticeable variation in sensory experience. Thorough empirical studies are carried out upon the LIVE database against subjective mean opinion score (MOS) and demonstrate that 1) the proposed framework has good consistency with subjective perception values and the objective assessment results can well reflect the visual quality of images, 2) different transforms in MGA under the new framework perform better than the standard WNISM and some of them even perform better than the standard full-reference IQA model, i.e., the mean structural similarity index, and 3) HWD performs best among all transforms in MGA under the framework. PMID:19447715
A geometric hidden Markov tree wavelet model
NASA Astrophysics Data System (ADS)
Romberg, Justin K.; Wakin, Michael B.; Choi, Hyeokho; Baraniuk, Richard G.
2003-11-01
In the last few years, it has become apparent that traditional wavelet-based image processing algorithms and models have significant shortcomings in their treatment of edge contours. The standard modeling paradigm exploits the fact that wavelet coefficients representing smooth regions in images tend to have small magnitude, and that the multiscale nature of the wavelet transform implies that these small coefficients will persist across scale (the canonical example is the venerable zero-tree coder). The edge contours in the image, however, cause more and more large magnitude wavelet coefficients as we move down through scale to finer resolutions. But if the contours are smooth, they become simple as we zoom in on them, and are well approximated by straight lines at fine scales. Standard wavelet models exploit the grayscale regularity of the smooth regions of the image, but not the geometric regularity of the contours. In this paper, we build a model that accounts for this geometric regularity by capturing the dependencies between complex wavelet coefficients along a contour. The Geometric Hidden Markov Tree (GHMT) assigns each wavelet coefficient (or spatial cluster of wavelet coefficients) a hidden state corresponding to a linear approximation of the local contour structure. The shift and rotational-invariance properties of the complex wavelet transform allow the GHMT to model the behavior of each coefficient given the presence of a linear edge at a specified orientation --- the behavior of the wavelet coefficient given the state. By connecting the states together in a quadtree, the GHMT ties together wavelet coefficients along a contour, and also models how the contour itself behaves across scale. We demonstrate the effectiveness of the model by applying it to feature extraction.
Nonadiabatic fluctuation in the measured geometric phase
NASA Astrophysics Data System (ADS)
Ai, Qing; Huo, Wenyi; Long, Gui Lu; Sun, C. P.
2009-08-01
We study how the nonadiabatic effect causes the observable fluctuation in the “geometric phase” for a two-level system, which is defined as the experimentally measurable quantity in the adiabatic limit. From the Rabi exact solution to this model, we give a reasonable explanation to the experimental discovery of phase fluctuation in the superconducting circuit system [P. J. Leek, J. M. Fink, A. Blais, R. Bianchetti, M. Göppl, J. M. Gambetta, D. I. Schuster, L. Frunzio, R. J. Schoelkopf, and A. Wallraf, Science 318, 1889 (2007)], which seemed to be regarded as the conventional experimental error.
Unification Principle and a Geometric Field Theory
NASA Astrophysics Data System (ADS)
Wanas, Mamdouh I.; Osman, Samah N.; El-Kholy, Reham I.
2015-08-01
In the context of the geometrization philosophy, a covariant field theory is constructed. The theory satisfies the unification principle. The field equations of the theory are constructed depending on a general differential identity in the geometry used. The Lagrangian scalar used in the formalism is neither curvature scalar nor torsion scalar, but an alloy made of both, the W-scalar. The physical contents of the theory are explored depending on different methods. The analysis shows that the theory is capable of dealing with gravity, electromagnetism and material distribution with possible mutual interactions. The theory is shown to cover the domain of general relativity under certain conditions.
Extended geometric scaling from generalized traveling waves
Peschanski, R.
2010-03-01
We define a mapping of the QCD Balitsky-Kovchegov equation in the diffusive approximation with noise and a generalized coupling allowing a common treatment of the fixed and running QCD couplings. It corresponds to the extension of the stochastic Fisher and Kolmogorov-Petrovskii-Piscounov equation to the radial wave propagation in a medium with negative-gradient absorption responsible for anomalous diffusion, noninteger dimension, and damped noise fluctuations. We obtain its analytic traveling-wave solutions with a new scaling curve and for running coupling a new scaling variable allowing to extend the range and validity of the geometric-scaling QCD prediction beyond the previously known domain.
Evolution equation for geometric quantum correlation measures
NASA Astrophysics Data System (ADS)
Hu, Ming-Liang; Fan, Heng
2015-05-01
A simple relation is established for the evolution equation of quantum-information-processing protocols such as quantum teleportation, remote state preparation, Bell-inequality violation, and particularly the dynamics of geometric quantum correlation measures. This relation shows that when the system traverses the local quantum channel, various figures of merit of the quantum correlations for different protocols demonstrate a factorization decay behavior for dynamics. We identified the family of quantum states for different kinds of quantum channels under the action of which the relation holds. This relation simplifies the assessment of many quantum tasks.
Geometric optics and the "hairy ball theorem"
NASA Astrophysics Data System (ADS)
Bormashenko, Edward; Kazachkov, Alexander
Applications of the hairy ball theorem to the geometrical optics are discussed. When the ideal mirror, topologically equivalent to a sphere, is illuminated at every point, the "hairy ball theorem" prescribes the existence of at least one point at which the incident light will be normally reflected. For the more general case of the surface, topologically equivalent to a sphere, which is both reflecting and refracting the "hairy ball theorem" predicts the existence of at least one point, at which the incident light will be normally reflected and also normally refracted.