Generalized Kähler geometry and current algebras in classical N=2 superconformal WZW model

NASA Astrophysics Data System (ADS)

Parkhomenko, S. E.

2018-04-01

I examine the Generalized Kähler (GK) geometry of classical N = (2, 2) superconformal WZW model on a compact group and relate the right-moving and left-moving Kac-Moody superalgebra currents to the GK geometry data using biholomorphic gerbe formulation and Hamiltonian formalism. It is shown that the canonical Poisson homogeneous space structure induced by the GK geometry of the group manifold is crucial to provide N = (2, 2) superconformal σ-model with the Kac-Moody superalgebra symmetries. Then, the biholomorphic gerbe geometry is used to prove that Kac-Moody superalgebra currents are globally defined.

An immersed boundary method for modeling a dirty geometry data

NASA Astrophysics Data System (ADS)

Onishi, Keiji; Tsubokura, Makoto

2017-11-01

We present a robust, fast, and low preparation cost immersed boundary method (IBM) for simulating an incompressible high Re flow around highly complex geometries. The method is achieved by the dispersion of the momentum by the axial linear projection and the approximate domain assumption satisfying the mass conservation around the wall including cells. This methodology has been verified against an analytical theory and wind tunnel experiment data. Next, we simulate the problem of flow around a rotating object and demonstrate the ability of this methodology to the moving geometry problem. This methodology provides the possibility as a method for obtaining a quick solution at a next large scale supercomputer. This research was supported by MEXT as ``Priority Issue on Post-K computer'' (Development of innovative design and production processes) and used computational resources of the K computer provided by the RIKEN Advanced Institute for Computational Science.

Morphology-flow interactions lead to stage-selective vertical transport of larval sand dollars in shear flow.

PubMed

Clay, T W; Grünbaum, D

2010-04-01

Many larvae and other plankton have complex and variable morphologies of unknown functional significance. We experimentally and theoretically investigated the functional consequences of the complex morphologies of larval sand dollars, Dendraster excentricus (Eschscholtz), for hydrodynamic interactions between swimming and turbulent water motion. Vertical shearing flows (horizontal gradients of vertical flow) tilt organisms with simple geometries (e.g. spheres, ellipsoids), causing these organisms to move horizontally towards downwelling water and compromising their abilities to swim upwards. A biomechanical model of corresponding hydrodynamic interactions between turbulence-induced shear and the morphologically complex four-, six- and eight-armed stages of sand dollar larvae suggests that the movements of larval morphologies differ quantitatively and qualitatively across stages and shear intensities: at shear levels typical of calm conditions in estuarine and coastal environments, all modeled larval stages moved upward. However, at higher shears, modeled four- and eight-armed larvae moved towards downwelling, whereas six-armed larvae moved towards upwelling. We also experimentally quantified larval movement by tracking larvae swimming in low-intensity shear while simultaneously mapping the surrounding flow fields. Four- and eight-armed larvae moved into downwelling water, but six-armed larvae did not. Both the model and experiments suggest that stage-dependent changes to larval morphology lead to differences in larval movement: four- and eight-armed stages are more prone than the six-armed stage to moving into downwelling water. Our results suggest a mechanism by which differences can arise in the vertical distribution among larval stages. The ability to mitigate or exploit hydrodynamic interactions with shear is a functional consequence that potentially shapes larval evolution and development.

Impact of extraneous mispositioned events on motion-corrected brain SPECT images of freely moving animals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Angelis, Georgios I., E-mail: georgios.angelis@sydney.edu.au; Ryder, William J.; Bashar, Rezaul

Purpose: Single photon emission computed tomography (SPECT) brain imaging of freely moving small animals would allow a wide range of important neurological processes and behaviors to be studied, which are normally inhibited by anesthetic drugs or precluded due to the animal being restrained. While rigid body motion of the head can be tracked and accounted for in the reconstruction, activity in the torso may confound brain measurements, especially since motion of the torso is more complex (i.e., nonrigid) and not well correlated with that of the head. The authors investigated the impact of mispositioned events and attenuation due to themore » torso on the accuracy of motion corrected brain images of freely moving mice. Methods: Monte Carlo simulations of a realistic voxelized mouse phantom and a dual compartment phantom were performed. Each phantom comprised a target and an extraneous compartment which were able to move independently of each other. Motion correction was performed based on the known motion of the target compartment only. Two SPECT camera geometries were investigated: a rotating single head detector and a stationary full ring detector. The effects of motion, detector geometry, and energy of the emitted photons (hence, attenuation) on bias and noise in reconstructed brain regions were evaluated. Results: The authors observed two main sources of bias: (a) motion-related inconsistencies in the projection data and (b) the mismatch between attenuation and emission. Both effects are caused by the assumption that the orientation of the torso is difficult to track and model, and therefore cannot be conveniently corrected for. The motion induced bias in some regions was up to 12% when no attenuation effects were considered, while it reached 40% when also combined with attenuation related inconsistencies. The detector geometry (i.e., rotating vs full ring) has a big impact on the accuracy of the reconstructed images, with the full ring detector being more advantageous. Conclusions: Motion-induced inconsistencies in the projection data and attenuation/emission mismatch are the two main causes of bias in reconstructed brain images when there is complex motion. It appears that these two factors have a synergistic effect on the qualitative and quantitative accuracy of the reconstructed images.« less

Computational Hemodynamics Involving Artificial Devices

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, Cetin; Feiereisen, William (Technical Monitor)

2001-01-01

This paper reports the progress being made towards developing complete blood flow simulation capability in human, especially, in the presence of artificial devices such as valves and ventricular assist devices. Devices modeling poses unique challenges different from computing the blood flow in natural hearts and arteries. There are many elements needed such as flow solvers, geometry modeling including flexible walls, moving boundary procedures and physiological characterization of blood. As a first step, computational technology developed for aerospace applications was extended in the recent past to the analysis and development of mechanical devices. The blood flow in these devices is practically incompressible and Newtonian, and thus various incompressible Navier-Stokes solution procedures can be selected depending on the choice of formulations, variables and numerical schemes. Two primitive variable formulations used are discussed as well as the overset grid approach to handle complex moving geometry. This procedure has been applied to several artificial devices. Among these, recent progress made in developing DeBakey axial flow blood pump will be presented from computational point of view. Computational and clinical issues will be discussed in detail as well as additional work needed.

Computation of incompressible viscous flows through artificial heart devices with moving boundaries

NASA Technical Reports Server (NTRS)

Kiris, Cetin; Rogers, Stuart; Kwak, Dochan; Chang, I.-DEE

1991-01-01

The extension of computational fluid dynamics techniques to artificial heart flow simulations is illustrated. Unsteady incompressible Navier-Stokes equations written in 3-D generalized curvilinear coordinates are solved iteratively at each physical time step until the incompressibility condition is satisfied. The solution method is based on the pseudo compressibility approach and uses an implicit upwind differencing scheme together with the Gauss-Seidel line relaxation method. The efficiency and robustness of the time accurate formulation of the algorithm are tested by computing the flow through model geometries. A channel flow with a moving indentation is computed and validated with experimental measurements and other numerical solutions. In order to handle the geometric complexity and the moving boundary problems, a zonal method and an overlapping grid embedding scheme are used, respectively. Steady state solutions for the flow through a tilting disk heart valve was compared against experimental measurements. Good agreement was obtained. The flow computation during the valve opening and closing is carried out to illustrate the moving boundary capability.

Movement Timing and Invariance Arise from Several Geometries

PubMed Central

Bennequin, Daniel; Fuchs, Ronit; Berthoz, Alain; Flash, Tamar

2009-01-01

Human movements show several prominent features; movement duration is nearly independent of movement size (the isochrony principle), instantaneous speed depends on movement curvature (captured by the 2/3 power law), and complex movements are composed of simpler elements (movement compositionality). No existing theory can successfully account for all of these features, and the nature of the underlying motion primitives is still unknown. Also unknown is how the brain selects movement duration. Here we present a new theory of movement timing based on geometrical invariance. We propose that movement duration and compositionality arise from cooperation among Euclidian, equi-affine and full affine geometries. Each geometry posses a canonical measure of distance along curves, an invariant arc-length parameter. We suggest that for continuous movements, the actual movement duration reflects a particular tensorial mixture of these canonical parameters. Near geometrical singularities, specific combinations are selected to compensate for time expansion or compression in individual parameters. The theory was mathematically formulated using Cartan's moving frame method. Its predictions were tested on three data sets: drawings of elliptical curves, locomotion and drawing trajectories of complex figural forms (cloverleaves, lemniscates and limaçons, with varying ratios between the sizes of the large versus the small loops). Our theory accounted well for the kinematic and temporal features of these movements, in most cases better than the constrained Minimum Jerk model, even when taking into account the number of estimated free parameters. During both drawing and locomotion equi-affine geometry was the most dominant geometry, with affine geometry second most important during drawing; Euclidian geometry was second most important during locomotion. We further discuss the implications of this theory: the origin of the dominance of equi-affine geometry, the possibility that the brain uses different mixtures of these geometries to encode movement duration and speed, and the ontogeny of such representations. PMID:19593380

A structural study of [CpM(CO)3H] (M = Cr, Mo and W) by single-crystal X-ray diffraction and DFT calculations: sterically crowded yet surprisingly flexible molecules.

PubMed

Burchell, Richard P L; Sirsch, Peter; Decken, Andreas; McGrady, G Sean

2009-08-14

The single-crystal X-ray structures of the complexes [CpCr(CO)3H] 1, [CpMo(CO)3H] 2 and [CpW(CO)3H] 3 are reported. The results indicate that 1 adopts a structure close to a distorted three-legged piano stool geometry, whereas a conventional four-legged piano stool arrangement is observed for 2 and 3. Further insight into the equilibrium geometries and potential energy surfaces of all three complexes was obtained by DFT calculations. These show that in the gas phase complex 1 also prefers a geometry close to a four-legged piano stool in line with its heavier congeners, and implying strong packing forces at work for 1 in the solid state. Comparison with their isolelectronic group 7 tricarbonyl counterparts [CpM(CO)3] (M = Mn 4 and Re 5) illustrates that 1, 2 and 3 are sterically crowded complexes. However, a surprisingly soft bending potential is evident for the M-H moiety, whose order (1 approximately = 2 < 3) correlates with the M-H bond strength rather than with the degree of congestion at the metal centre, indicating electronic rather than steric control of the potential. The calculations also reveal cooperative motions of the hydride and carbonyl ligands in the M(CO)3H unit, which allow the M-H moiety to move freely, in spite of the closeness of the four basal ligands, helping to explain the surprising flexibility of the crowded coordination sphere observed for this family of high CN complexes.

An Upgrade of the Aeroheating Software ''MINIVER''

NASA Technical Reports Server (NTRS)

Louderback, Pierce

2013-01-01

Detailed computational modeling: CFO often used to create and execute computational domains. Increasing complexity when moving from 20 to 30 geometries. Computational time increased as finer grids are used (accuracy). Strong tool, but takes time to set up and run. MINIVER: Uses theoretical and empirical correlations. Orders of magnitude faster to set up and run. Not as accurate as CFO, but gives reasonable estimations. MINIVER's Drawbacks: Rigid command-line interface. Lackluster, unorganized documentation. No central control; multiple versions exist and have diverged.

LES of cavitating flow inside a Diesel injector including dynamic needle movement

NASA Astrophysics Data System (ADS)

Örley, F.; Hickel, S.; Schmidt, S. J.; Adams, N. A.

2015-12-01

We perform large-eddy simulations (LES) of the turbulent, cavitating flow inside a 9-hole solenoid common-rail injector including jet injection into gas during a full injection cycle. The liquid fuel, vapor, and gas phases are modelled by a homogeneous mixture approach. The cavitation model is based on a thermodynamic equilibrium assumption. The geometry of the injector is represented on a Cartesian grid by a conservative cut-element immersed boundary method. The strategy allows for the simulation of complex, moving geometries with sub-cell resolution. We evaluate the effects of needle movement on the cavitation characteristics in the needle seat and tip region during opening and closing of the injector. Moreover, we study the effect of cavitation inside the injector nozzles on primary jet break-up.

Changes in the geometries of C₂H₂ and C₂H₄ on coordination to CuCl revealed by broadband rotational spectroscopy and ab-initio calculations.

PubMed

Stephens, Susanna L; Bittner, Dror M; Mikhailov, Victor A; Mizukami, Wataru; Tew, David P; Walker, Nicholas R; Legon, Anthony C

2014-10-06

The molecular geometries of isolated complexes in which a single molecule of C2H4 or C2H2 is bound to CuCl have been determined through pure rotational spectroscopy and ab-initio calculations. The C2H2···CuCl and C2H4···CuCl complexes are generated through laser vaporization of a copper rod in the presence of a gas sample undergoing supersonic expansion and containing C2H2 (or C2H4), CCl4, and Ar. Results are presented for five isotopologues of C2H2···CuCl and six isotopologues of C2H4···CuCl. Both of these complexes adopt C(2v), T-shaped geometries in which the hydrocarbon binds to the copper atom through its π electrons such that the metal is equidistant from all H atoms. The linear and planar geometries of free C2H2 and C2H4, respectively, are observed to distort significantly on attachment to the CuCl unit, and the various changes are quantified. The ∠(*-C-H) parameter in C2H2 (where * indicates the midpoint of the C≡C bond) is measured to be 192.4(7)° in the r0 geometry of the complex representing a significant change from the linear geometry of the free molecule. This distortion of the linear geometry of C2H2 involves the hydrogen atoms moving away from the copper atom within the complex. Ab-initio calculations at the CCSD(T)(F12*)/AVTZ level predict a dihedral ∠(HCCCu) angle of 96.05° in C2H4···CuCl, and the experimental results are consistent with such a distortion from planarity. The bonds connecting the carbon atoms within each of C2H2 and C2H4, respectively, extend by 0.027 and 0.029 Å relative to the bond lengths in the isolated molecules. Force constants, k(σ), and nuclear quadrupole coupling constants, χ(aa)(Cu), [χ(bb)(Cu) - χ(cc)(Cu)], χ(aa)(Cl), and [χ(bb)(Cl) - χ(cc)(Cl)], are independently determined for all isotopologues of C2H2···CuCl studied and for four isotopologues of C2H4···CuCl.

Predictive models for moving contact line flows

NASA Technical Reports Server (NTRS)

Rame, Enrique; Garoff, Stephen

2003-01-01

Modeling flows with moving contact lines poses the formidable challenge that the usual assumptions of Newtonian fluid and no-slip condition give rise to a well-known singularity. This singularity prevents one from satisfying the contact angle condition to compute the shape of the fluid-fluid interface, a crucial calculation without which design parameters such as the pressure drop needed to move an immiscible 2-fluid system through a solid matrix cannot be evaluated. Some progress has been made for low Capillary number spreading flows. Combining experimental measurements of fluid-fluid interfaces very near the moving contact line with an analytical expression for the interface shape, we can determine a parameter that forms a boundary condition for the macroscopic interface shape when Ca much les than l. This parameter, which plays the role of an "apparent" or macroscopic dynamic contact angle, is shown by the theory to depend on the system geometry through the macroscopic length scale. This theoretically established dependence on geometry allows this parameter to be "transferable" from the geometry of the measurement to any other geometry involving the same material system. Unfortunately this prediction of the theory cannot be tested on Earth.

Optimal sensor placement for active guided wave interrogation of complex metallic components

NASA Astrophysics Data System (ADS)

Coelho, Clyde K.; Kim, Seung Bum; Chattopadhyay, Aditi

2011-04-01

With research in structural health monitoring (SHM) moving towards increasingly complex structures for damage interrogation, the placement of sensors is becoming a key issue in the performance of the damage detection methodologies. For ultrasonic wave based approaches, this is especially important because of the sensitivity of the travelling Lamb waves to material properties, geometry and boundary conditions that may obscure the presence of damage if they are not taken into account during sensor placement. The framework proposed in this paper defines a sensing region for a pair of piezoelectric transducers in a pitch-catch damage detection approach by taking into account the material attenuation and probability of false alarm. Using information about the region interrogated by a sensoractuator pair, a simulated annealing optimization framework was implemented in order to place sensors on complex metallic geometries such that a selected minimum damage type and size could be detected with an acceptable probability of false alarm anywhere on the structure. This approach was demonstrated on a lug joint to detect a crack and on a large Naval SHM test bed and resulted in a placement of sensors that was able to interrogate all parts of the structure using the minimum number of transducers.

A Simplified Mesh Deformation Method Using Commercial Structural Analysis Software

NASA Technical Reports Server (NTRS)

Hsu, Su-Yuen; Chang, Chau-Lyan; Samareh, Jamshid

2004-01-01

Mesh deformation in response to redefined or moving aerodynamic surface geometries is a frequently encountered task in many applications. Most existing methods are either mathematically too complex or computationally too expensive for usage in practical design and optimization. We propose a simplified mesh deformation method based on linear elastic finite element analyses that can be easily implemented by using commercially available structural analysis software. Using a prescribed displacement at the mesh boundaries, a simple structural analysis is constructed based on a spatially varying Young s modulus to move the entire mesh in accordance with the surface geometry redefinitions. A variety of surface movements, such as translation, rotation, or incremental surface reshaping that often takes place in an optimization procedure, may be handled by the present method. We describe the numerical formulation and implementation using the NASTRAN software in this paper. The use of commercial software bypasses tedious reimplementation and takes advantage of the computational efficiency offered by the vendor. A two-dimensional airfoil mesh and a three-dimensional aircraft mesh were used as test cases to demonstrate the effectiveness of the proposed method. Euler and Navier-Stokes calculations were performed for the deformed two-dimensional meshes.

Superficial simplicity of the 2010 El Mayorg-Cucapah earthquake of Baja California in Mexico

USGS Publications Warehouse

Wei, S.; Fielding, E.; Leprince, S.; Sladen, A.; Avouac, J.-P.; Helmberger, D.; Hauksson, E.; Chu, R.; Simons, M.; Hudnut, K.; Herring, T.; Briggs, R.

2011-01-01

The geometry of faults is usually thought to be more complicated at the surface than at depth and to control the initiation, propagation and arrest of seismic ruptures1-6. The fault system that runs from southern California into Mexico is a simple strike-slip boundary: the west side of California and Mexico moves northwards with respect to the east. However, the Mw 7.2 2010 El Mayorg-Cucapah earthquake on this fault system produced a pattern of seismic waves that indicates a far more complex source than slip on a planar strike-slip fault. Here we use geodetic, remote-sensing and seismological data to reconstruct the fault geometry and history of slip during this earthquake. We find that the earthquake produced a straight 120-km-long fault trace that cut through the Cucapah mountain range and across the Colorado River delta. However, at depth, the fault is made up of two different segments connected by a small extensional fault. Both segments strike N130 ??E, but dip in opposite directions. The earthquake was initiated on the connecting extensional fault and 15s later ruptured the two main segments with dominantly strike-slip motion. We show that complexities in the fault geometry at depth explain well the complex pattern of radiated seismic waves. We conclude that the location and detailed characteristics of the earthquake could not have been anticipated on the basis of observations of surface geology alone. ?? 2011 Macmillan Publishers Limited. All rights reserved.

A versatile embedded boundary adaptive mesh method for compressible flow in complex geometry

NASA Astrophysics Data System (ADS)

Al-Marouf, M.; Samtaney, R.

2017-05-01

We present an embedded ghost fluid method for numerical solutions of the compressible Navier Stokes (CNS) equations in arbitrary complex domains. A PDE multidimensional extrapolation approach is used to reconstruct the solution in the ghost fluid regions and imposing boundary conditions on the fluid-solid interface, coupled with a multi-dimensional algebraic interpolation for freshly cleared cells. The CNS equations are numerically solved by the second order multidimensional upwind method. Block-structured adaptive mesh refinement, implemented with the Chombo framework, is utilized to reduce the computational cost while keeping high resolution mesh around the embedded boundary and regions of high gradient solutions. The versatility of the method is demonstrated via several numerical examples, in both static and moving geometry, ranging from low Mach number nearly incompressible flows to supersonic flows. Our simulation results are extensively verified against other numerical results and validated against available experimental results where applicable. The significance and advantages of our implementation, which revolve around balancing between the solution accuracy and implementation difficulties, are briefly discussed as well.

Soft lubrication

NASA Astrophysics Data System (ADS)

Skotheim, Jan; Mahadevan, Laksminarayanan

2004-11-01

We study the lubrication of fluid-immersed soft interfaces and show that elastic deformation couples tangential and normal forces and thus generates lift. We consider materials that deform easily, due to either geometry (e.g a shell) or constitutive properties (e.g. a gel or a rubber), so that the effects of pressure and temperature on the fluid properties may be neglected. Four different system geometries are considered: a rigid cylinder moving tangentially to a soft layer coating a rigid substrate; a soft cylinder moving tangentially to a rigid substrate; a cylindrical shell moving tangentially to a rigid substrate; and finally a journal bearing coated with a thin soft layer, which being a conforming contact allows us to gauge the influence of contact geometry. In addition, for the particular case of a soft layer coating a rigid substrate we consider both elastic and poroelastic material responses. Finally, we consider the role of contact geometry in the context of the journal bearing, a conforming contact. For all these cases we find the same generic behavior: there is an optimal combination of geometric and material parameters that maximizes the dimensionless normal force as a function of the softness.

Extension of the XGC code for global gyrokinetic simulations in stellarator geometry

NASA Astrophysics Data System (ADS)

Cole, Michael; Moritaka, Toseo; White, Roscoe; Hager, Robert; Ku, Seung-Hoe; Chang, Choong-Seock

2017-10-01

In this work, the total-f, gyrokinetic particle-in-cell code XGC is extended to treat stellarator geometries. Improvements to meshing tools and the code itself have enabled the first physics studies, including single particle tracing and flux surface mapping in the magnetic geometry of the heliotron LHD and quasi-isodynamic stellarator Wendelstein 7-X. These have provided the first successful test cases for our approach. XGC is uniquely placed to model the complex edge physics of stellarators. A roadmap to such a global confinement modeling capability will be presented. Single particle studies will include the physics of energetic particles' global stochastic motions and their effect on confinement. Good confinement of energetic particles is vital for a successful stellarator reactor design. These results can be compared in the core region with those of other codes, such as ORBIT3d. In subsequent work, neoclassical transport and turbulence can then be considered and compared to results from codes such as EUTERPE and GENE. After sufficient verification in the core region, XGC will move into the stellarator edge region including the material wall and neutral particle recycling.

Characterizing the Peano fluidic muscle and the effects of its geometry properties on its behavior

NASA Astrophysics Data System (ADS)

Veale, Allan Joshua; Xie, Sheng Quan; Anderson, Iain Alexander

2016-06-01

In this work, we explore the basic static and dynamic behavior of a hydraulically actuated Peano muscle and how its geometry affects key static and dynamic performance metrics. The Peano muscle, or pouch motor is a fluid powered artificial muscle. Similar to McKibben pneumatic artificial muscles (PAMs), it has the ability to generate the high forces of biological muscles with the low threshold pressure of pleated PAMs, but in a slim, easily distributed form. We found that Peano muscles have similar characteristics to other PAMs, but produce lower free-strains. A test rig capable of measuring high-speed flow rates with a Venturi tube revealed that their efficiency peaks at about 40% during highly dynamic movements. Peano muscles with more tubes and of a greater size do not move faster. Also, their muscle tubes should have an aspect ratio of at least 1:3 and channel width greater than 20% to maximize performance. These findings suggest that finite element modeling be used to optimize more complex Peano muscle geometries.

Bootstrapping on Undirected Binary Networks Via Statistical Mechanics

NASA Astrophysics Data System (ADS)

Fushing, Hsieh; Chen, Chen; Liu, Shan-Yu; Koehl, Patrice

2014-09-01

We propose a new method inspired from statistical mechanics for extracting geometric information from undirected binary networks and generating random networks that conform to this geometry. In this method an undirected binary network is perceived as a thermodynamic system with a collection of permuted adjacency matrices as its states. The task of extracting information from the network is then reformulated as a discrete combinatorial optimization problem of searching for its ground state. To solve this problem, we apply multiple ensembles of temperature regulated Markov chains to establish an ultrametric geometry on the network. This geometry is equipped with a tree hierarchy that captures the multiscale community structure of the network. We translate this geometry into a Parisi adjacency matrix, which has a relative low energy level and is in the vicinity of the ground state. The Parisi adjacency matrix is then further optimized by making block permutations subject to the ultrametric geometry. The optimal matrix corresponds to the macrostate of the original network. An ensemble of random networks is then generated such that each of these networks conforms to this macrostate; the corresponding algorithm also provides an estimate of the size of this ensemble. By repeating this procedure at different scales of the ultrametric geometry of the network, it is possible to compute its evolution entropy, i.e. to estimate the evolution of its complexity as we move from a coarse to a fine description of its geometric structure. We demonstrate the performance of this method on simulated as well as real data networks.

Method and apparatus for a combination moving bed thermal treatment reactor and moving bed filter

DOEpatents

Badger, Phillip C.; Dunn, Jr., Kenneth J.

2015-09-01

A moving bed gasification/thermal treatment reactor includes a geometry in which moving bed reactor particles serve as both a moving bed filter and a heat carrier to provide thermal energy for thermal treatment reactions, such that the moving bed filter and the heat carrier are one and the same to remove solid particulates or droplets generated by thermal treatment processes or injected into the moving bed filter from other sources.

Blood Pump Development Using Rocket Engine Flow Simulation Technology

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, Cetin

2001-01-01

This paper reports the progress made towards developing complete blood flow simulation capability in humans, especially in the presence of artificial devices such as valves and ventricular assist devices. Devices modeling poses unique challenges different from computing the blood flow in natural hearts and arteries. There are many elements needed to quantify the flow in these devices such as flow solvers, geometry modeling including flexible walls, moving boundary procedures and physiological characterization of blood. As a first step, computational technology developed for aerospace applications was extended to the analysis and development of a ventricular assist device (VAD), i.e., a blood pump. The blood flow in a VAD is practically incompressible and Newtonian, and thus an incompressible Navier-Stokes solution procedure can be applied. A primitive variable formulation is used in conjunction with the overset grid approach to handle complex moving geometry. The primary purpose of developing the incompressible flow analysis capability was to quantify the flow in advanced turbopump for space propulsion system. The same procedure has been extended to the development of NASA-DeBakey VAD that is based on an axial blood pump. Due to massive computing requirements, high-end computing is necessary for simulating three-dimensional flow in these pumps. Computational, experimental, and clinical results are presented.

A moving control volume approach to computing hydrodynamic forces and torques on immersed bodies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nangia, Nishant; Johansen, Hans; Patankar, Neelesh A.

Here, we present a moving control volume (CV) approach to computing hydrodynamic forces and torques on complex geometries. The method requires surface and volumetric integrals over a simple and regular Cartesian box that moves with an arbitrary velocity to enclose the body at all times. The moving box is aligned with Cartesian grid faces, which makes the integral evaluation straightforward in an immersed boundary (IB) framework. Discontinuous and noisy derivatives of velocity and pressure at the fluid–structure interface are avoided and far-field (smooth) velo city and pressure information is used. We re-visit the approach to compute hydrodynamic forces and torquesmore » through force/torque balance equations in a Lagrangian frame that some of us took in a prior work (Bhalla et al., 2013 [13]). We prove the equivalence of the two approaches for IB methods, thanks to the use of Peskin's delta functions. Both approaches are able to suppress spurious force oscillations and are in excellent agreement, as expected theoretically. Test cases ranging from Stokes to high Reynolds number regimes are considered. We discuss regridding issues for the moving CV method in an adaptive mesh refinement (AMR) context. The proposed moving CV method is not limited to a specific IB method and can also be used, for example, with embedded boundary methods.« less

A moving control volume approach to computing hydrodynamic forces and torques on immersed bodies

DOE PAGES

Nangia, Nishant; Johansen, Hans; Patankar, Neelesh A.; ...

2017-10-01

Here, we present a moving control volume (CV) approach to computing hydrodynamic forces and torques on complex geometries. The method requires surface and volumetric integrals over a simple and regular Cartesian box that moves with an arbitrary velocity to enclose the body at all times. The moving box is aligned with Cartesian grid faces, which makes the integral evaluation straightforward in an immersed boundary (IB) framework. Discontinuous and noisy derivatives of velocity and pressure at the fluid–structure interface are avoided and far-field (smooth) velo city and pressure information is used. We re-visit the approach to compute hydrodynamic forces and torquesmore » through force/torque balance equations in a Lagrangian frame that some of us took in a prior work (Bhalla et al., 2013 [13]). We prove the equivalence of the two approaches for IB methods, thanks to the use of Peskin's delta functions. Both approaches are able to suppress spurious force oscillations and are in excellent agreement, as expected theoretically. Test cases ranging from Stokes to high Reynolds number regimes are considered. We discuss regridding issues for the moving CV method in an adaptive mesh refinement (AMR) context. The proposed moving CV method is not limited to a specific IB method and can also be used, for example, with embedded boundary methods.« less

Paramecium swimming in a capillary tube

NASA Astrophysics Data System (ADS)

Jana, Saikat; Jung, Sunghwan

2010-03-01

Micro-organisms exhibit different strategies for swimming in complex environments. Many micro-swimmers such as paramecium congregate and tend to live near wall. We investigate how paramecium moves in a confined space as compared to its motion in an unbounded fluid. A new theoretical model based on Taylor's sheet is developed, to study such boundary effects. In experiments, paramecia are put inside capillary tubes and their swimming behavior is observed. The data obtained from experiments is used to test the validity of our theoretical model and understand how the cilia influence the locomotion of paramecia in confined geometries.

Numerical study of aerodynamic effects on road vehicles lifting surfaces

NASA Astrophysics Data System (ADS)

Cernat, Mihail Victor; Cernat Bobonea, Andreea

2017-01-01

The aerodynamic performance analysis of road vehicles depends on the study of engine intake and cooling flow, internal ventilation, tire cooling, and overall external flow as the motion of air around a moving vehicle affects all of its components in one form or another. Due to the complex geometry of these, the aerodynamic interaction between the various body components is significant, resulting in vortex flow and lifting surface shapes. The present study, however focuses on the effects of external aerodynamics only, and in particular on the flow over the lifting surfaces of a common compact car, designed especially for this study.

Cell Migration in 1D and 2D Nanofiber Microenvironments.

PubMed

Estabridis, Horacio M; Jana, Aniket; Nain, Amrinder; Odde, David J

2018-03-01

Understanding how cells migrate in fibrous environments is important in wound healing, immune function, and cancer progression. A key question is how fiber orientation and network geometry influence cell movement. Here we describe a quantitative, modeling-based approach toward identifying the mechanisms by which cells migrate in fibrous geometries having well controlled orientation. Specifically, U251 glioblastoma cells were seeded onto non-electrospinning Spinneret based tunable engineering parameters fiber substrates that consist of networks of suspended 400 nm diameter nanofibers. Cells were classified based on the local fiber geometry and cell migration dynamics observed by light microscopy. Cells were found in three distinct geometries: adhering two a single fiber, adhering to two parallel fibers, and adhering to a network of orthogonal fibers. Cells adhering to a single fiber or two parallel fibers can only move in one dimension along the fiber axis, whereas cells on a network of orthogonal fibers can move in two dimensions. We found that cells move faster and more persistently in 1D geometries than in 2D, with cell migration being faster on parallel fibers than on single fibers. To explain these behaviors mechanistically, we simulated cell migration in the three different geometries using a motor-clutch based model for cell traction forces. Using nearly identical parameter sets for each of the three cases, we found that the simulated cells naturally replicated the reduced migration in 2D relative to 1D geometries. In addition, the modestly faster 1D migration on parallel fibers relative to single fibers was captured using a correspondingly modest increase in the number of clutches to reflect increased surface area of adhesion on parallel fibers. Overall, the integrated modeling and experimental analysis shows that cell migration in response to varying fibrous geometries can be explained by a simple mechanical readout of geometry via a motor-clutch mechanism.

An adaptive gridless methodology in one dimension

DOE Office of Scientific and Technical Information (OSTI.GOV)

Snyder, N.T.; Hailey, C.E.

1996-09-01

Gridless numerical analysis offers great potential for accurately solving for flow about complex geometries or moving boundary problems. Because gridless methods do not require point connection, the mesh cannot twist or distort. The gridless method utilizes a Taylor series about each point to obtain the unknown derivative terms from the current field variable estimates. The governing equation is then numerically integrated to determine the field variables for the next iteration. Effects of point spacing and Taylor series order on accuracy are studied, and they follow similar trends of traditional numerical techniques. Introducing adaption by point movement using a spring analogymore » allows the solution method to track a moving boundary. The adaptive gridless method models linear, nonlinear, steady, and transient problems. Comparison with known analytic solutions is given for these examples. Although point movement adaption does not provide a significant increase in accuracy, it helps capture important features and provides an improved solution.« less

Grasping versus knitting: A geometric perspective. Comment on "Hand synergies: Integration of robotics and neuroscience for understanding the control of biological and artificial hands" by M. Santello et al.

NASA Astrophysics Data System (ADS)

Laumond, Jean-Paul

2016-07-01

Grasping an object is a matter of first moving a prehensile organ at some position in the world, and then managing the contact relationship between the prehensile organ and the object. Once the contact relationship has been established and made stable, the object is part of the body and it can move in the world. As any action, the action of grasping is ontologically anchored in the physical space while the correlative movement originates in the space of the body. Robots-as any living system-access the physical space only indirectly through sensors and motors. Sensors and motors constitute the space of the body where homeostasis takes place. Physical space and both sensor space and motor space constitute a triangulation, which is the locus of the action embodiment, i.e. the locus of operations allowing the fundamental inversion between world-centered and body-centered frames. Referring to these three fundamental spaces, geometry appears as the best abstraction to capture the nature of action-driven movements. Indeed, a particular geometry is captured by a particular group of transformations of the points of a space such that every point or every direction in space can be transformed by an element of the group to every other point or direction within the group. Quoting mathematician Poincaré, the issue is not find the truest geometry but the most practical one to account for the complexity of the world [1]. Geometry is then the language fostering the dialog between neurophysiology and engineering about natural and artificial movement science and technology. Evolution has found amazing solutions that allow organisms to rapidly and efficiently manage the relationship between their body and the world [2]. It is then natural that roboticists consider taking inspiration of these natural solutions, while contributing to better understand their origin.

Tangle-Free Mesh Motion for Ablation Simulations

NASA Technical Reports Server (NTRS)

Droba, Justin

2016-01-01

Problems involving mesh motion-which should not be mistakenly associated with moving mesh methods, a class of adaptive mesh redistribution techniques-are of critical importance in numerical simulations of the thermal response of melting and ablative materials. Ablation is the process by which material vaporizes or otherwise erodes due to strong heating. Accurate modeling of such materials is of the utmost importance in design of passive thermal protection systems ("heatshields") for spacecraft, the layer of the vehicle that ensures survival of crew and craft during re-entry. In an explicit mesh motion approach, a complete thermal solve is first performed. Afterwards, the thermal response is used to determine surface recession rates. These values are then used to generate boundary conditions for an a posteriori correction designed to update the location of the mesh nodes. Most often, linear elastic or biharmonic equations are used to model this material response, traditionally in a finite element framework so that complex geometries can be simulated. A simple scheme for moving the boundary nodes involves receding along the surface normals. However, for all but the simplest problem geometries, evolution in time following such a scheme will eventually bring the mesh to intersect and "tangle" with itself, inducing failure. This presentation demonstrates a comprehensive and sophisticated scheme that analyzes the local geometry of each node with help from user-provided clues to eliminate the tangle and enable simulations on a wide-class of difficult problem geometries. The method developed is demonstrated for linear elastic equations but is general enough that it may be adapted to other modeling equations. The presentation will explicate the inner workings of the tangle-free mesh motion algorithm for both two and three-dimensional meshes. It will show abstract examples of the method's success, including a verification problem that demonstrates its accuracy and correctness. The focus of the presentation will be on the algorithm; specifics on how the techniques may be used in spacecraft design will be not discussed.

Unsteady Reynolds-averaged Navier-Stokes simulations of inlet distortion in the fan system of a gas-turbine aero-engine

NASA Astrophysics Data System (ADS)

Spotts, Nathan

As modern trends in commercial aircraft design move toward high-bypass-ratio fan systems of increasing diameter with shorter, nonaxisymmetric nacelle geometries, inlet distortion is becoming common in all operating regimes. The distortion may induce aerodynamic instabilities within the fan system, leading to catastrophic damage to fan blades, should the surge margin be exceeded. Even in the absence of system instability, the heterogeneity of the flow affects aerodynamic performance significantly. Therefore, an understanding of fan-distortion interaction is critical to aircraft engine system design. This thesis research elucidates the complex fluid dynamics and fan-distortion interaction by means of computational fluid dynamics (CFD) modeling of a complete engine fan system; including rotor, stator, spinner, nacelle and nozzle; under conditions typical of those encountered by commercial aircraft. The CFD simulations, based on a Reynolds-averaged Navier-Stokes (RANS) approach, were unsteady, three-dimensional, and of a full-annulus geometry. A thorough, systematic validation has been performed for configurations from a single passage of a rotor to a full-annulus system by comparing the predicted flow characteristics and aerodynamic performance to those found in literature. The original contributions of this research include the integration of a complete engine fan system, based on the NASA rotor 67 transonic stage and representative of the propulsion systems in commercial aircraft, and a benchmark case for unsteady RANS simulations of distorted flow in such a geometry under realistic operating conditions. This study is unique in that the complex flow dynamics, resulting from fan-distortion interaction, were illustrated in a practical geometry under realistic operating conditions. For example, the compressive stage is shown to influence upstream static pressure distributions and thus suppress separation of flow on the nacelle. Knowledge of such flow physics is valuable for engine system design.

An electrostatic Particle-In-Cell code on multi-block structured meshes

NASA Astrophysics Data System (ADS)

Meierbachtol, Collin S.; Svyatskiy, Daniil; Delzanno, Gian Luca; Vernon, Louis J.; Moulton, J. David

2017-12-01

We present an electrostatic Particle-In-Cell (PIC) code on multi-block, locally structured, curvilinear meshes called Curvilinear PIC (CPIC). Multi-block meshes are essential to capture complex geometries accurately and with good mesh quality, something that would not be possible with single-block structured meshes that are often used in PIC and for which CPIC was initially developed. Despite the structured nature of the individual blocks, multi-block meshes resemble unstructured meshes in a global sense and introduce several new challenges, such as the presence of discontinuities in the mesh properties and coordinate orientation changes across adjacent blocks, and polyjunction points where an arbitrary number of blocks meet. In CPIC, these challenges have been met by an approach that features: (1) a curvilinear formulation of the PIC method: each mesh block is mapped from the physical space, where the mesh is curvilinear and arbitrarily distorted, to the logical space, where the mesh is uniform and Cartesian on the unit cube; (2) a mimetic discretization of Poisson's equation suitable for multi-block meshes; and (3) a hybrid (logical-space position/physical-space velocity), asynchronous particle mover that mitigates the performance degradation created by the necessity to track particles as they move across blocks. The numerical accuracy of CPIC was verified using two standard plasma-material interaction tests, which demonstrate good agreement with the corresponding analytic solutions. Compared to PIC codes on unstructured meshes, which have also been used for their flexibility in handling complex geometries but whose performance suffers from issues associated with data locality and indirect data access patterns, PIC codes on multi-block structured meshes may offer the best compromise for capturing complex geometries while also maintaining solution accuracy and computational efficiency.

An electrostatic Particle-In-Cell code on multi-block structured meshes

DOE PAGES

Meierbachtol, Collin S.; Svyatskiy, Daniil; Delzanno, Gian Luca; ...

2017-09-14

We present an electrostatic Particle-In-Cell (PIC) code on multi-block, locally structured, curvilinear meshes called Curvilinear PIC (CPIC). Multi-block meshes are essential to capture complex geometries accurately and with good mesh quality, something that would not be possible with single-block structured meshes that are often used in PIC and for which CPIC was initially developed. In spite of the structured nature of the individual blocks, multi-block meshes resemble unstructured meshes in a global sense and introduce several new challenges, such as the presence of discontinuities in the mesh properties and coordinate orientation changes across adjacent blocks, and polyjunction points where anmore » arbitrary number of blocks meet. In CPIC, these challenges have been met by an approach that features: (1) a curvilinear formulation of the PIC method: each mesh block is mapped from the physical space, where the mesh is curvilinear and arbitrarily distorted, to the logical space, where the mesh is uniform and Cartesian on the unit cube; (2) a mimetic discretization of Poisson's equation suitable for multi-block meshes; and (3) a hybrid (logical-space position/physical-space velocity), asynchronous particle mover that mitigates the performance degradation created by the necessity to track particles as they move across blocks. The numerical accuracy of CPIC was verified using two standard plasma–material interaction tests, which demonstrate good agreement with the corresponding analytic solutions. And compared to PIC codes on unstructured meshes, which have also been used for their flexibility in handling complex geometries but whose performance suffers from issues associated with data locality and indirect data access patterns, PIC codes on multi-block structured meshes may offer the best compromise for capturing complex geometries while also maintaining solution accuracy and computational efficiency.« less

An electrostatic Particle-In-Cell code on multi-block structured meshes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meierbachtol, Collin S.; Svyatskiy, Daniil; Delzanno, Gian Luca

We present an electrostatic Particle-In-Cell (PIC) code on multi-block, locally structured, curvilinear meshes called Curvilinear PIC (CPIC). Multi-block meshes are essential to capture complex geometries accurately and with good mesh quality, something that would not be possible with single-block structured meshes that are often used in PIC and for which CPIC was initially developed. In spite of the structured nature of the individual blocks, multi-block meshes resemble unstructured meshes in a global sense and introduce several new challenges, such as the presence of discontinuities in the mesh properties and coordinate orientation changes across adjacent blocks, and polyjunction points where anmore » arbitrary number of blocks meet. In CPIC, these challenges have been met by an approach that features: (1) a curvilinear formulation of the PIC method: each mesh block is mapped from the physical space, where the mesh is curvilinear and arbitrarily distorted, to the logical space, where the mesh is uniform and Cartesian on the unit cube; (2) a mimetic discretization of Poisson's equation suitable for multi-block meshes; and (3) a hybrid (logical-space position/physical-space velocity), asynchronous particle mover that mitigates the performance degradation created by the necessity to track particles as they move across blocks. The numerical accuracy of CPIC was verified using two standard plasma–material interaction tests, which demonstrate good agreement with the corresponding analytic solutions. And compared to PIC codes on unstructured meshes, which have also been used for their flexibility in handling complex geometries but whose performance suffers from issues associated with data locality and indirect data access patterns, PIC codes on multi-block structured meshes may offer the best compromise for capturing complex geometries while also maintaining solution accuracy and computational efficiency.« less

Structural analysis using thrust-fault hanging-wall sequence diagrams: Ogden duplex, Wasatch Range, Utah

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schirmer, T.W.

1988-05-01

Detailed mapping and cross-section traverses provide the control for structural analysis and geometric modeling of the Ogden duplex, a complex thrust system exposed in the Wasatch Mountains, east of Ogden, Utah. The structures consist of east-dipping folded thrust faults, basement-cored horses, lateral ramps and folds, and tear faults. The sequence of thrusting determined by means of lateral overlap of horses, thrust-splay relationships, and a top-to-bottom piggyback development is Willard thrust, Ogden thrust, Weber thrust, and Taylor thrust. Major decollement zones occur in the Cambrian shales and limestones. The Tintic Quartzite is the marker for determining gross geometries of horses. Thismore » exposed duplex serves as a good model to illustrate the method of constructing a hanging-wall sequence diagram - a series of longitudinal cross sections that move forward in time and space, and show how a thrust system formed as it moved updip over various footwall ramps. A hanging wall sequence diagram also shows the complex lateral variations in a thrust system and helps to locate lateral ramps, lateral folds, tear faults, and other features not shown on dip-oriented cross sections. 8 figures.« less

Push-me-pull-you: how microtubules organize the cell interior

PubMed Central

2008-01-01

Dynamic organization of the cell interior, which is crucial for cell function, largely depends on the microtubule cytoskeleton. Microtubules move and position organelles by pushing, pulling, or sliding. Pushing forces can be generated by microtubule polymerization, whereas pulling typically involves microtubule depolymerization or molecular motors, or both. Sliding between a microtubule and another microtubule, an organelle, or the cell cortex is also powered by molecular motors. Although numerous examples of microtubule-based pushing and pulling in living cells have been observed, it is not clear why different cell types and processes employ different mechanisms. This review introduces a classification of microtubule-based positioning strategies and discusses the efficacy of pushing and pulling. The positioning mechanisms based on microtubule pushing are efficient for movements over small distances, and for centering of organelles in symmetric geometries. Mechanisms based on pulling, on the other hand, are typically more elaborate, but are necessary when the distances to be covered by the organelles are large, and when the geometry is asymmetric and complex. Thus, taking into account cell geometry and the length scale of the movements helps to identify general principles of the intracellular layout based on microtubule forces. PMID:18404264

Experimental investigation of the effects of aft blowing with various nozzle exit geometries on a 3.0 caliber tangent ogive at high angles of attack: Forebody pressure distributions

NASA Technical Reports Server (NTRS)

Chokani, Ndaona; Gittner, N. M.

1992-01-01

An experimental study of the effects of aft blowing on the asymmetric vortex flow of a slender, axisymmetric body at high angles of attack was conducted. A 3.0 caliber tangent ogive body fitted with a cylindrical afterbody was tested in a wind tunnel under subsonic, laminar flow test conditions. Asymmetric blowing from both a single nozzle and a double nozzle configuration, positioned near the body apex, was studied. Aft blowing was observed to alter the vortex asymmetry by moving the blowing-side vortex closer to the body surface while moving the non-blowing-side vortex further away from the body. The effect of increasing the blowing coefficient was to move the blowing-side vortex closer to the body surface at a more upstream location. The data also showed that blowing was more effective in altering the initial vortex asymmetry at the higher angles of attack than at the lower. The effects of changing the nozzle exit geometry were studied and it was observed that blowing from a nozzle with a low, broad exit geometry was more effective in reducing the vortex asymmetry than blowing from a high, narrow exit geometry.

A level-set method for two-phase flows with moving contact line and insoluble surfactant

NASA Astrophysics Data System (ADS)

Xu, Jian-Jun; Ren, Weiqing

2014-04-01

A level-set method for two-phase flows with moving contact line and insoluble surfactant is presented. The mathematical model consists of the Navier-Stokes equation for the flow field, a convection-diffusion equation for the surfactant concentration, together with the Navier boundary condition and a condition for the dynamic contact angle derived by Ren et al. (2010) [37]. The numerical method is based on the level-set continuum surface force method for two-phase flows with surfactant developed by Xu et al. (2012) [54] with some cautious treatment for the boundary conditions. The numerical method consists of three components: a flow solver for the velocity field, a solver for the surfactant concentration, and a solver for the level-set function. In the flow solver, the surface force is dealt with using the continuum surface force model. The unbalanced Young stress at the moving contact line is incorporated into the Navier boundary condition. A convergence study of the numerical method and a parametric study are presented. The influence of surfactant on the dynamics of the moving contact line is illustrated using examples. The capability of the level-set method to handle complex geometries is demonstrated by simulating a pendant drop detaching from a wall under gravity.

Enhanced Imaging of Corrosion in Aircraft Structures with Reverse Geometry X-ray(registered tm)

NASA Technical Reports Server (NTRS)

Winfree, William P.; Cmar-Mascis, Noreen A.; Parker, F. Raymond

2000-01-01

The application of Reverse Geometry X-ray to the detection and characterization of corrosion in aircraft structures is presented. Reverse Geometry X-ray is a unique system that utilizes an electronically scanned x-ray source and a discrete detector for real time radiographic imaging of a structure. The scanned source system has several advantages when compared to conventional radiography. First, the discrete x-ray detector can be miniaturized and easily positioned inside a complex structure (such as an aircraft wing) enabling images of each surface of the structure to be obtained separately. Second, using a measurement configuration with multiple detectors enables the simultaneous acquisition of data from several different perspectives without moving the structure or the measurement system. This provides a means for locating the position of flaws and enhances separation of features at the surface from features inside the structure. Data is presented on aircraft specimens with corrosion in the lap joint. Advanced laminographic imaging techniques utilizing data from multiple detectors are demonstrated to be capable of separating surface features from corrosion in the lap joint and locating the corrosion in multilayer structures. Results of this technique are compared to computed tomography cross sections obtained from a microfocus x-ray tomography system. A method is presented for calibration of the detectors of the Reverse Geometry X-ray system to enable quantification of the corrosion to within 2%.

Electroosmotically Driven Liquid Flows in Complex Micro-Geometries

NASA Astrophysics Data System (ADS)

Dutta, Prashanta; Warburton, Timothy C.; Beskok, Ali

1999-11-01

Electroosmotically driven flows in micro-channels are analyzed analytically and numerically by using a high-order h/p type spectral element simulation suite, Nektar. The high-resolution characteristic of the spectral element method enables us to resolve the sharp electric double layers with successive p-type mesh refinements. For electric double layers that are much smaller than the channel height, the Helmholtz Smoluchowski velocity is used to develop semi-analytical relations for the velocity and the pressure distributions in micro channels. Analytical relations for wall shear stress and pressure distributions are also obtained. These relations show amplification of the normal and shear stresses on the micro-channel walls. Finally, flow through a step-channel is analyzed to document the interaction of the electroosmotic forces with the adverse pressure gradients. Depending on the direction and the magnitude of the electroosmotic force, enhancement or elimination of the separation bubble is observed. These findings can be used to develop innovative strategies for flow control with no moving components and for promotion of mixing in micro-scale geometries.

Continuous motion scan ptychography: Characterization for increased speed in coherent x-ray imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deng, Junjing; Nashed, Youssef S. G.; Chen, Si

Ptychography is a coherent diffraction imaging (CDI) method for extended objects in which diffraction patterns are acquired sequentially from overlapping coherent illumination spots. The object’s complex transmission function can be reconstructed from those diffraction patterns at a spatial resolution limited only by the scattering strength of the object and the detector geometry. Most experiments to date have positioned the illumination spots on the sample using a move-settle-measure sequence in which the move and settle steps can take longer to complete than the measure step. We describe here the use of a continuous “fly-scan” mode for ptychographic data collection in whichmore » the sample is moved continuously, so that the experiment resembles one of integrating the diffraction patterns from multiple probe positions. This allows one to use multiple probe mode reconstruction methods to obtain an image of the object and also of the illumination function. We show in simulations, and in x-ray imaging experiments, some of the characteristics of fly-scan ptychography, including a factor of 25 reduction in the data acquisition time. This approach will become increasingly important as brighter x-ray sources are developed, such as diffraction limited storage rings.« less

Continuous motion scan ptychography: Characterization for increased speed in coherent x-ray imaging

DOE PAGES

Deng, Junjing; Nashed, Youssef S. G.; Chen, Si; ...

2015-02-23

Ptychography is a coherent diffraction imaging (CDI) method for extended objects in which diffraction patterns are acquired sequentially from overlapping coherent illumination spots. The object’s complex transmission function can be reconstructed from those diffraction patterns at a spatial resolution limited only by the scattering strength of the object and the detector geometry. Most experiments to date have positioned the illumination spots on the sample using a move-settle-measure sequence in which the move and settle steps can take longer to complete than the measure step. We describe here the use of a continuous “fly-scan” mode for ptychographic data collection in whichmore » the sample is moved continuously, so that the experiment resembles one of integrating the diffraction patterns from multiple probe positions. This allows one to use multiple probe mode reconstruction methods to obtain an image of the object and also of the illumination function. We show in simulations, and in x-ray imaging experiments, some of the characteristics of fly-scan ptychography, including a factor of 25 reduction in the data acquisition time. This approach will become increasingly important as brighter x-ray sources are developed, such as diffraction limited storage rings.« less

Continuous motion scan ptychography: characterization for increased speed in coherent x-ray imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deng, Junjing; Nashed, Youssef S. G.; Chen, Si

2015-01-01

Ptychography is a coherent diffraction imaging (CDI) method for extended objects in which diffraction patterns are acquired sequentially from overlapping coherent illumination spots. The object's complex transmission function can be reconstructed from those diffraction patterns at a spatial resolution limited only by the scattering strength of the object and the detector geometry. Most experiments to date have positioned the illumination spots on the sample using a move-settle-measure sequence in which the move and settle steps can take longer to complete than the measure step. We describe here the use of a continuous "fly-scan" mode for ptychographic data collection in whichmore » the sample is moved continuously, so that the experiment resembles one of integrating the diffraction patterns from multiple probe positions. This allows one to use multiple probe mode reconstruction methods to obtain an image of the object and also of the illumination function. We show in simulations, and in x-ray imaging experiments, some of the characteristics of fly-scan ptychography, including a factor of 25 reduction in the data acquisition time. This approach will become increasingly important as brighter x-ray sources are developed, such as diffraction limited storage rings.« less

Continuous motion scan ptychography: characterization for increased speed in coherent x-ray imaging.

PubMed

Deng, Junjing; Nashed, Youssef S G; Chen, Si; Phillips, Nicholas W; Peterka, Tom; Ross, Rob; Vogt, Stefan; Jacobsen, Chris; Vine, David J

2015-03-09

Ptychography is a coherent diffraction imaging (CDI) method for extended objects in which diffraction patterns are acquired sequentially from overlapping coherent illumination spots. The object's complex transmission function can be reconstructed from those diffraction patterns at a spatial resolution limited only by the scattering strength of the object and the detector geometry. Most experiments to date have positioned the illumination spots on the sample using a move-settle-measure sequence in which the move and settle steps can take longer to complete than the measure step. We describe here the use of a continuous "fly-scan" mode for ptychographic data collection in which the sample is moved continuously, so that the experiment resembles one of integrating the diffraction patterns from multiple probe positions. This allows one to use multiple probe mode reconstruction methods to obtain an image of the object and also of the illumination function. We show in simulations, and in x-ray imaging experiments, some of the characteristics of fly-scan ptychography, including a factor of 25 reduction in the data acquisition time. This approach will become increasingly important as brighter x-ray sources are developed, such as diffraction limited storage rings.

Computational Vision in Uv-Mapping of Textured Meshes Coming from Photogrammetric Recovery: Unwrapping Frescoed Vaults

NASA Astrophysics Data System (ADS)

Robleda, P. G.; Caroti, G.; Martínez-Espejo Zaragoza, I.; Piemonte, A.

2016-06-01

Sometimes it is difficult to represent "on paper" the existing reality of architectonic elements, depending on the complexity of his geometry, but not only in cases with complex geometries: non-relief surfaces, can need a "special planar format" for its graphical representation. Nowadays, there are a lot of methods to obtain tridimensional recovery of our Cultural Heritage with different ranges of the relationship accuracy / costs, even getting high accuracy using "low-cost" recovery methods as digital photogrammetry, which allow us easily to obtain a graphical representation "on paper": ortho-images of different points of view. This can be useful for many purposes but, for others, an orthographic projection is not really very interesting. In non-site restoration tasks of frescoed vaults, a "planar format" representation in needed to see in true magnitude the paintings represented on the intrados vault, because of the general methodology used: gluing the fresco on a fabric, removing the fresco-fabric from the support, moving to laboratory, removing the fresco from the fabric, restoring the fresco, gluing back the restored fresco on another fabric, laying the restored fresco on the original location and removing the fabric. Because of this, many times, an unfolded model is needed, in a similar way a cylinder or cone can be unfolded, but in this case with a texture included: UV unwrapping. Unfold and fold-back processes, can be especially interesting in restoration field of frescoed vaults and domes at: chromatic recovery of paintings, reconstruction of partially missed geometries, transference of paintings on surfaces, etc.

Constructing Spatial Understanding

ERIC Educational Resources Information Center

Obara, Samuel

2010-01-01

Activities that enable students to move between two and three dimensions will help them understand solid geometry. This knowledge is critical for teachers, and they need to learn this skill so that they can give their students the opportunity to experience hands-on geometry and benefit from the challenge of creating nets, building models, and…

Fully implicit moving mesh adaptive algorithm

NASA Astrophysics Data System (ADS)

Serazio, C.; Chacon, L.; Lapenta, G.

2006-10-01

In many problems of interest, the numerical modeler is faced with the challenge of dealing with multiple time and length scales. The former is best dealt with with fully implicit methods, which are able to step over fast frequencies to resolve the dynamical time scale of interest. The latter requires grid adaptivity for efficiency. Moving-mesh grid adaptive methods are attractive because they can be designed to minimize the numerical error for a given resolution. However, the required grid governing equations are typically very nonlinear and stiff, and of considerably difficult numerical treatment. Not surprisingly, fully coupled, implicit approaches where the grid and the physics equations are solved simultaneously are rare in the literature, and circumscribed to 1D geometries. In this study, we present a fully implicit algorithm for moving mesh methods that is feasible for multidimensional geometries. Crucial elements are the development of an effective multilevel treatment of the grid equation, and a robust, rigorous error estimator. For the latter, we explore the effectiveness of a coarse grid correction error estimator, which faithfully reproduces spatial truncation errors for conservative equations. We will show that the moving mesh approach is competitive vs. uniform grids both in accuracy (due to adaptivity) and efficiency. Results for a variety of models 1D and 2D geometries will be presented. L. Chac'on, G. Lapenta, J. Comput. Phys., 212 (2), 703 (2006) G. Lapenta, L. Chac'on, J. Comput. Phys., accepted (2006)

Complex phase error and motion estimation in synthetic aperture radar imaging

NASA Astrophysics Data System (ADS)

Soumekh, M.; Yang, H.

1991-06-01

Attention is given to a SAR wave equation-based system model that accurately represents the interaction of the impinging radar signal with the target to be imaged. The model is used to estimate the complex phase error across the synthesized aperture from the measured corrupted SAR data by combining the two wave equation models governing the collected SAR data at two temporal frequencies of the radar signal. The SAR system model shows that the motion of an object in a static scene results in coupled Doppler shifts in both the temporal frequency domain and the spatial frequency domain of the synthetic aperture. The velocity of the moving object is estimated through these two Doppler shifts. It is shown that once the dynamic target's velocity is known, its reconstruction can be formulated via a squint-mode SAR geometry with parameters that depend upon the dynamic target's velocity.

Development of a position sensitive X-ray detector for use in a light weight X-ray diffractometer

NASA Technical Reports Server (NTRS)

Semmler, R. A.

1971-01-01

A position sensitive proportional counter for use in an X-ray diffractometer is developed to permit drastic reductions in the power and weight requirements of the X-ray source and the elimination of the power, weight, and complexity of a moving slit. The final detector constructed and tested has a window spanning 138 and a free standing anode curved along an arc of 7.1 cm radius. Demonstration spectra of a quartz sample in a Debye-Sherrer geometry indicate a spatial resolution of 0.4 - 0.5 mm (0.3 - 0.4 theta). The lunar diffractometer consumed 25 watts in the X-ray generator and weighed about 20 pounds.

An investigation of the effects of aft blowing on a 3.0 caliber tangent ogive body at high angles of attack. M.S. Thesis

NASA Technical Reports Server (NTRS)

Gittner, Nathan M.

1992-01-01

An experimental investigation of the effects of aft blowing on the asymmetric vortex flow of a slender, axisymmetric body at high angles of attack was conducted. A 3.0 caliber tangent ogive body fitted with a cylindrical afterbody was tested in a wind tunnel under subsonic, laminar flow test conditions. Asymmetric blowing from both a single nozzle and a double nozzle configuration, positioned near the body apex, was investigated. Aft blowing was observed to alter the vortex asymmetry by moving the blowing-side vortex closer to the body surface while moving the non-blowing-side vortex further away from the body. The effect of increasing the blowing coefficient was to move the blowing-side vortex closer to the body surface at a more upstream location. The data also showed that blowing was more effective in altering the initial vortex asymmetry at the higher angles of attack than at the lower. The effects of changing the nozzle exit geometry were investigated and it was observed that blowing from a nozzle with a low, broad exit geometry was more effective in reducing the vortex asymmetry than blowing from a high, narrow exit geometry.

Non-metallocene organometallic complexes and related methods and systems

DOEpatents

Agapie, Theodor; Golisz, Suzanne Rose; Tofan, Daniel; Bercaw, John E.

2010-12-07

A non-metallocene organometallic complex comprising a tridentate ligand and a metal bonded to a tridentate ligand, wherein two substituted aryl groups in the tridentate ligand are connected to a cyclic group at the ortho position via semi-rigid ring-ring linkages, and selected so to provide the resulting non-metallocene organometallic complex with a C.sub.S geometry, a C.sub.1 geometry, a C.sub.2 geometry or a C.sub.2v geometry. Method for performing olefin polymerization with a non-metallocene organometallic complex as a catalyst, related catalytic systems, tridentate ligand and method for providing a non-metallocene organometallic complex.

A theoretical investigation on optimal structures of ethane clusters (C2H6)n with n ≤ 25 and their building-up principle.

PubMed

Takeuchi, Hiroshi

2011-05-01

Geometry optimization of ethane clusters (C(2)H(6))(n) in the range of n ≤ 25 is carried out with a Morse potential. A heuristic method based on perturbations of geometries is used to locate global minima of the clusters. The following perturbations are carried out: (1) the molecule or group with the highest energy is moved to the interior of a cluster, (2) it is moved to stable positions on the surface of a cluster, and (3) orientations of one and two molecules are randomly modified. The geometry obtained after each perturbation is optimized by a quasi-Newton method. The global minimum of the dimer is consistent with that previously reported. The putative global minima of the clusters with 3 ≤ n ≤ 25 are first proposed and their building-up principle is discussed. Copyright © 2010 Wiley Periodicals, Inc.

The Influence of Hierarchy and Layout Geometry in the Design of Learning Spaces

ERIC Educational Resources Information Center

Smith, Charlie

2017-01-01

For a number of years, higher education has moved away from didactic teaching toward collaborative and self-directed learning. This paper discusses how the configuration and spatial geometry of learning spaces influences engagement and interaction, with a particular focus on hierarchies between people within the space. Layouts, presented as…

Multigrid Methods for Aerodynamic Problems in Complex Geometries

NASA Technical Reports Server (NTRS)

Caughey, David A.

1995-01-01

Work has been directed at the development of efficient multigrid methods for the solution of aerodynamic problems involving complex geometries, including the development of computational methods for the solution of both inviscid and viscous transonic flow problems. The emphasis is on problems of complex, three-dimensional geometry. The methods developed are based upon finite-volume approximations to both the Euler and the Reynolds-Averaged Navier-Stokes equations. The methods are developed for use on multi-block grids using diagonalized implicit multigrid methods to achieve computational efficiency. The work is focused upon aerodynamic problems involving complex geometries, including advanced engine inlets.

Methods of treating complex space vehicle geometry for charged particle radiation transport

NASA Technical Reports Server (NTRS)

Hill, C. W.

1973-01-01

Current methods of treating complex geometry models for space radiation transport calculations are reviewed. The geometric techniques used in three computer codes are outlined. Evaluations of geometric capability and speed are provided for these codes. Although no code development work is included several suggestions for significantly improving complex geometry codes are offered.

Investigation of a stripline transmission line structure for gyromagnetic nonlinear transmission line high power microwave sources.

PubMed

Reale, D V; Parson, J M; Neuber, A A; Dickens, J C; Mankowski, J J

2016-03-01

A stripline gyromagnetic nonlinear transmission line (NLTL) was constructed out of yttrium iron garnet ferrite and tested at charge voltages of 35 kV-55 kV with bias fields ranging from 10 kA/m to 20 kA/m. Typically, high power gyromagnetic NLTLs are constructed in a coaxial geometry. While this approach has many advantages, including a uniform transverse electromagnetic (TEM) mode, simple interconnection between components, and the ability to use oil or pressurized gas as an insulator, the coaxial implementation suffers from complexity of construction, especially when using a solid insulator. By moving to a simpler transmission line geometry, NLTLs can be constructed more easily and arrayed on a single substrate. This work represents a first step in exploring the suitability of various transmission line structures, such as microstrips and coplanar waveguides. The resulting high power microwave (HPM) source operates in ultra high frequency (UHF) band with an average bandwidth of 40.1% and peak rf power from 2 MW to 12.7 MW.

Investigation of a stripline transmission line structure for gyromagnetic nonlinear transmission line high power microwave sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reale, D. V., E-mail: david.reale@ttu.edu; Parson, J. M.; Neuber, A. A.

2016-03-15

A stripline gyromagnetic nonlinear transmission line (NLTL) was constructed out of yttrium iron garnet ferrite and tested at charge voltages of 35 kV–55 kV with bias fields ranging from 10 kA/m to 20 kA/m. Typically, high power gyromagnetic NLTLs are constructed in a coaxial geometry. While this approach has many advantages, including a uniform transverse electromagnetic (TEM) mode, simple interconnection between components, and the ability to use oil or pressurized gas as an insulator, the coaxial implementation suffers from complexity of construction, especially when using a solid insulator. By moving to a simpler transmission line geometry, NLTLs can be constructedmore » more easily and arrayed on a single substrate. This work represents a first step in exploring the suitability of various transmission line structures, such as microstrips and coplanar waveguides. The resulting high power microwave (HPM) source operates in ultra high frequency (UHF) band with an average bandwidth of 40.1% and peak rf power from 2 MW to 12.7 MW.« less

Pedestrian Detection by Laser Scanning and Depth Imagery

NASA Astrophysics Data System (ADS)

Barsi, A.; Lovas, T.; Molnar, B.; Somogyi, A.; Igazvolgyi, Z.

2016-06-01

Pedestrian flow is much less regulated and controlled compared to vehicle traffic. Estimating flow parameters would support many safety, security or commercial applications. Current paper discusses a method that enables acquiring information on pedestrian movements without disturbing and changing their motion. Profile laser scanner and depth camera have been applied to capture the geometry of the moving people as time series. Procedures have been developed to derive complex flow parameters, such as count, volume, walking direction and velocity from laser scanned point clouds. Since no images are captured from the faces of pedestrians, no privacy issues raised. The paper includes accuracy analysis of the estimated parameters based on video footage as reference. Due to the dense point clouds, detailed geometry analysis has been conducted to obtain the height and shoulder width of pedestrians and to detect whether luggage has been carried or not. The derived parameters support safety (e.g. detecting critical pedestrian density in mass events), security (e.g. detecting prohibited baggage in endangered areas) and commercial applications (e.g. counting pedestrians at all entrances/exits of a shopping mall).

Surface grid generation for complex three-dimensional geometries

NASA Technical Reports Server (NTRS)

Luh, Raymond Ching-Chung

1988-01-01

An outline is presented for the creation of surface grids from primitive geometry data such as obtained from CAD/CAM systems. The general procedure is applicable to any geometry including full aircraft with wing, nacelle, and empennage. When developed in an interactive graphics environment, a code based on this procedure is expected to substantially improve the turn around time for generating surface grids on complex geometries. Results are shown for a general hypersonic airplane geometry.

Surface grid generation for complex three-dimensional geometries

NASA Technical Reports Server (NTRS)

Luh, Raymond Ching-Chung

1988-01-01

An outline is presented for the creation of surface grids from primitive geometry data such as obtained from CAD/CAM systems. The general procedure is applicable to any geometry including full aircraft with wing, nacelle, and empennage. When developed in an interactive graphics environment, a code base on this procedure is expected to substantially improve the turn around time for generating surface grids on complex geometries. Results are shown for a general hypersonic airplane geometry.

Unstructured Cartesian/prismatic grid generation for complex geometries

NASA Technical Reports Server (NTRS)

Karman, Steve L., Jr.

1995-01-01

The generation of a hybrid grid system for discretizing complex three dimensional (3D) geometries is described. The primary grid system is an unstructured Cartesian grid automatically generated using recursive cell subdivision. This grid system is sufficient for computing Euler solutions about extremely complex 3D geometries. A secondary grid system, using triangular-prismatic elements, may be added for resolving the boundary layer region of viscous flows near surfaces of solid bodies. This paper describes the grid generation processes used to generate each grid type. Several example grids are shown, demonstrating the ability of the method to discretize complex geometries, with very little pre-processing required by the user.

Implicit solution of Navier-Stokes equations on staggered curvilinear grids using a Newton-Krylov method with a novel analytical Jacobian.

NASA Astrophysics Data System (ADS)

Borazjani, Iman; Asgharzadeh, Hafez

2015-11-01

Flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates with explicit and semi-implicit schemes. Implicit schemes can be used to overcome these restrictions. However, implementing implicit solver for nonlinear equations including Navier-Stokes is not straightforward. Newton-Krylov subspace methods (NKMs) are one of the most advanced iterative methods to solve non-linear equations such as implicit descritization of the Navier-Stokes equation. The efficiency of NKMs massively depends on the Jacobian formation method, e.g., automatic differentiation is very expensive, and matrix-free methods slow down as the mesh is refined. Analytical Jacobian is inexpensive method, but derivation of analytical Jacobian for Navier-Stokes equation on staggered grid is challenging. The NKM with a novel analytical Jacobian was developed and validated against Taylor-Green vortex and pulsatile flow in a 90 degree bend. The developed method successfully handled the complex geometries such as an intracranial aneurysm with multiple overset grids, and immersed boundaries. It is shown that the NKM with an analytical Jacobian is 3 to 25 times faster than the fixed-point implicit Runge-Kutta method, and more than 100 times faster than automatic differentiation depending on the grid (size) and the flow problem. The developed methods are fully parallelized with parallel efficiency of 80-90% on the problems tested.

Sources of spurious force oscillations from an immersed boundary method for moving-body problems

NASA Astrophysics Data System (ADS)

Lee, Jongho; Kim, Jungwoo; Choi, Haecheon; Yang, Kyung-Soo

2011-04-01

When a discrete-forcing immersed boundary method is applied to moving-body problems, it produces spurious force oscillations on a solid body. In the present study, we identify two sources of these force oscillations. One source is from the spatial discontinuity in the pressure across the immersed boundary when a grid point located inside a solid body becomes that of fluid with a body motion. The addition of mass source/sink together with momentum forcing proposed by Kim et al. [J. Kim, D. Kim, H. Choi, An immersed-boundary finite volume method for simulations of flow in complex geometries, Journal of Computational Physics 171 (2001) 132-150] reduces the spurious force oscillations by alleviating this pressure discontinuity. The other source is from the temporal discontinuity in the velocity at the grid points where fluid becomes solid with a body motion. The magnitude of velocity discontinuity decreases with decreasing the grid spacing near the immersed boundary. Four moving-body problems are simulated by varying the grid spacing at a fixed computational time step and at a constant CFL number, respectively. It is found that the spurious force oscillations decrease with decreasing the grid spacing and increasing the computational time step size, but they depend more on the grid spacing than on the computational time step size.

Energy absorption capabilities of complex thin walled structures

NASA Astrophysics Data System (ADS)

Tarlochan, F.; AlKhatib, Sami

2017-10-01

Thin walled structures have been used in the area of energy absorption during an event of a crash. A lot of work has been done on tubular structures. Due to limitation of manufacturing process, complex geometries were dismissed as potential solutions. With the advancement in metal additive manufacturing, complex geometries can be realized. As a motivation, the objective of this study is to investigate computationally the crash performance of complex tubular structures. Five designs were considered. In was found that complex geometries have better crashworthiness performance than standard tubular structures used currently.

Fully implicit moving mesh adaptive algorithm

NASA Astrophysics Data System (ADS)

Chacon, Luis

2005-10-01

In many problems of interest, the numerical modeler is faced with the challenge of dealing with multiple time and length scales. The former is best dealt with with fully implicit methods, which are able to step over fast frequencies to resolve the dynamical time scale of interest. The latter requires grid adaptivity for efficiency. Moving-mesh grid adaptive methods are attractive because they can be designed to minimize the numerical error for a given resolution. However, the required grid governing equations are typically very nonlinear and stiff, and of considerably difficult numerical treatment. Not surprisingly, fully coupled, implicit approaches where the grid and the physics equations are solved simultaneously are rare in the literature, and circumscribed to 1D geometries. In this study, we present a fully implicit algorithm for moving mesh methods that is feasible for multidimensional geometries. A crucial element is the development of an effective multilevel treatment of the grid equation.ootnotetextL. Chac'on, G. Lapenta, A fully implicit, nonlinear adaptive grid strategy, J. Comput. Phys., accepted (2005) We will show that such an approach is competitive vs. uniform grids both from the accuracy (due to adaptivity) and the efficiency standpoints. Results for a variety of models 1D and 2D geometries, including nonlinear diffusion, radiation-diffusion, Burgers equation, and gas dynamics will be presented.

Multiphysics analysis of liquid metal annular linear induction pumps: A project overview

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maidana, Carlos Omar; Nieminen, Juha E.

Liquid metal-cooled fission reactors are both moderated and cooled by a liquid metal solution. These reactors are typically very compact and they can be used in regular electric power production, for naval and space propulsion systems or in fission surface power systems for planetary exploration. The coupling between the electromagnetics and thermo-fluid mechanical phenomena observed in liquid metal thermo-magnetic systems for nuclear and space applications gives rise to complex engineering magnetohydrodynamics and numerical problems. It is known that electromagnetic pumps have a number of advantages over rotating mechanisms: absence of moving parts, low noise and vibration level, simplicity of flowmore » rate regulation, easy maintenance and so on. However, while developing annular linear induction pumps, we are faced with a significant problem of magnetohydrodynamic instability arising in the device. The complex flow behavior in this type of devices includes a time-varying Lorentz force and pressure pulsation due to the time-varying electromagnetic fields and the induced convective currents that originates from the liquid metal flow, leading to instability problems along the device geometry. The determinations of the geometry and electrical configuration of liquid metal thermo-magnetic devices give rise to a complex inverse magnetohydrodynamic field problem were techniques for global optimization should be used, magnetohydrodynamics instabilities understood –or quantified- and multiphysics models developed and analyzed. Lastly, we present a project overview as well as a few computational models developed to study liquid metal annular linear induction pumps using first principles and the a few results of our multi-physics analysis.« less

Multiphysics analysis of liquid metal annular linear induction pumps: A project overview

DOE PAGES

Maidana, Carlos Omar; Nieminen, Juha E.

2016-03-14

Liquid metal-cooled fission reactors are both moderated and cooled by a liquid metal solution. These reactors are typically very compact and they can be used in regular electric power production, for naval and space propulsion systems or in fission surface power systems for planetary exploration. The coupling between the electromagnetics and thermo-fluid mechanical phenomena observed in liquid metal thermo-magnetic systems for nuclear and space applications gives rise to complex engineering magnetohydrodynamics and numerical problems. It is known that electromagnetic pumps have a number of advantages over rotating mechanisms: absence of moving parts, low noise and vibration level, simplicity of flowmore » rate regulation, easy maintenance and so on. However, while developing annular linear induction pumps, we are faced with a significant problem of magnetohydrodynamic instability arising in the device. The complex flow behavior in this type of devices includes a time-varying Lorentz force and pressure pulsation due to the time-varying electromagnetic fields and the induced convective currents that originates from the liquid metal flow, leading to instability problems along the device geometry. The determinations of the geometry and electrical configuration of liquid metal thermo-magnetic devices give rise to a complex inverse magnetohydrodynamic field problem were techniques for global optimization should be used, magnetohydrodynamics instabilities understood –or quantified- and multiphysics models developed and analyzed. Lastly, we present a project overview as well as a few computational models developed to study liquid metal annular linear induction pumps using first principles and the a few results of our multi-physics analysis.« less

3D cancer cell migration in a confined matrix

NASA Astrophysics Data System (ADS)

Alobaidi, Amani; Sun, Bo

Cancer cell migration is widely studied in 2D motion, which does not mimic the invasion processes in vivo. More recently, 3D cell migration studies have been performed. The ability of cancer cells to migrate within the extracellular matrix depends on the physical and biochemical features of the extracellular matrix. We present a model of cell motility in confined matrix geometry. The aim of the study is to study cancer migration in collagen matrix, as a soft tissue, to investigate their motility within the confined and surrounding collagen environment. Different collagen concentrations have been used to show the ability of these cancer cells to move through such a complex structure by measuring Cancer cell migration velocity as well as the displacement. Graduate student physics department.

Numerical Simulation of the ``Fluid Mechanical Sewing Machine''

NASA Astrophysics Data System (ADS)

Brun, Pierre-Thomas; Audoly, Basile; Ribe, Neil

2011-11-01

A thin thread of viscous fluid falling onto a moving conveyor belt generates a wealth of complex ``stitch'' patterns depending on the belt speed and the fall height. To understand the rich nonlinear dynamics of this system, we have developed a new numerical code for simulating unsteady viscous threads, based on a discrete description of the geometry and a variational formulation for the viscous stresses. The code successfully reproduces all major features of the experimental state diagram of Morris et al. (Phys. Rev. E 2008). Fourier analysis of the motion of the thread's contact point with the belt suggests a new classification of the observed patterns, and reveals that the system behaves as a nonlinear oscillator coupling the pendulum modes of the thread.

Parallel Three-Dimensional Computation of Fluid Dynamics and Fluid-Structure Interactions of Ram-Air Parachutes

NASA Technical Reports Server (NTRS)

Tezduyar, Tayfun E.

1998-01-01

This is a final report as far as our work at University of Minnesota is concerned. The report describes our research progress and accomplishments in development of high performance computing methods and tools for 3D finite element computation of aerodynamic characteristics and fluid-structure interactions (FSI) arising in airdrop systems, namely ram-air parachutes and round parachutes. This class of simulations involves complex geometries, flexible structural components, deforming fluid domains, and unsteady flow patterns. The key components of our simulation toolkit are a stabilized finite element flow solver, a nonlinear structural dynamics solver, an automatic mesh moving scheme, and an interface between the fluid and structural solvers; all of these have been developed within a parallel message-passing paradigm.

Quaternionic Kähler Detour Complexes and {mathcal{N} = 2} Supersymmetric Black Holes

NASA Astrophysics Data System (ADS)

Cherney, D.; Latini, E.; Waldron, A.

2011-03-01

We study a class of supersymmetric spinning particle models derived from the radial quantization of stationary, spherically symmetric black holes of four dimensional {{mathcal N} = 2} supergravities. By virtue of the c-map, these spinning particles move in quaternionic Kähler manifolds. Their spinning degrees of freedom describe mini-superspace-reduced supergravity fermions. We quantize these models using BRST detour complex technology. The construction of a nilpotent BRST charge is achieved by using local (worldline) supersymmetry ghosts to generate special holonomy transformations. (An interesting byproduct of the construction is a novel Dirac operator on the superghost extended Hilbert space.) The resulting quantized models are gauge invariant field theories with fields equaling sections of special quaternionic vector bundles. They underly and generalize the quaternionic version of Dolbeault cohomology discovered by Baston. In fact, Baston’s complex is related to the BPS sector of the models we write down. Our results rely on a calculus of operators on quaternionic Kähler manifolds that follows from BRST machinery, and although directly motivated by black hole physics, can be broadly applied to any model relying on quaternionic geometry.

Finite difference time domain modeling of steady state scattering from jet engines with moving turbine blades

NASA Technical Reports Server (NTRS)

Ryan, Deirdre A.; Langdon, H. Scott; Beggs, John H.; Steich, David J.; Luebbers, Raymond J.; Kunz, Karl S.

1992-01-01

The approach chosen to model steady state scattering from jet engines with moving turbine blades is based upon the Finite Difference Time Domain (FDTD) method. The FDTD method is a numerical electromagnetic program based upon the direct solution in the time domain of Maxwell's time dependent curl equations throughout a volume. One of the strengths of this method is the ability to model objects with complicated shape and/or material composition. General time domain functions may be used as source excitations. For example, a plane wave excitation may be specified as a pulse containing many frequencies and at any incidence angle to the scatterer. A best fit to the scatterer is accomplished using cubical cells in the standard cartesian implementation of the FDTD method. The material composition of the scatterer is determined by specifying its electrical properties at each cell on the scatterer. Thus, the FDTD method is a suitable choice for problems with complex geometries evaluated at multiple frequencies. It is assumed that the reader is familiar with the FDTD method.

Dynamics of tokamak plasma surface current in 3D ideal MHD model

NASA Astrophysics Data System (ADS)

Galkin, Sergei A.; Svidzinski, V. A.; Zakharov, L. E.

2013-10-01

Interest in the surface current which can arise on perturbed sharp plasma vacuum interface in tokamaks was recently generated by a few papers (see and references therein). In dangerous disruption events with plasma-touching-wall scenarios, the surface current can be shared with the wall leading to the strong, damaging forces acting on the wall A relatively simple analytic definition of δ-function surface current proportional to a jump of tangential component of magnetic field nevertheless leads to a complex computational problem on the moving plasma-vacuum interface, requiring the incorporation of non-linear 3D plasma dynamics even in one-fluid ideal MHD. The Disruption Simulation Code (DSC), which had recently been developed in a fully 3D toroidal geometry with adaptation to the moving plasma boundary, is an appropriate tool for accurate self-consistent δfunction surface current calculation. Progress on the DSC-3D development will be presented. Self-consistent surface current calculation under non-linear dynamics of low m kink mode and VDE will be discussed. Work is supported by the US DOE SBIR grant #DE-SC0004487.

Shuttle plate braiding machine

NASA Technical Reports Server (NTRS)

Huey, Jr., Cecil O. (Inventor)

1994-01-01

A method and apparatus for moving yarn in a selected pattern to form a braided article. The apparatus includes a segmented grid of stationary support elements and a plurality of shuttles configured to carry yarn. The shuttles are supported for movement on the grid assembly and each shuttle includes a retractable plunger for engaging a reciprocating shuttle plate that moves below the grid assembly. Such engagement at selected times causes the shuttles to move about the grid assembly in a selected pattern to form a braided article of a particular geometry.

Microscale transport and sorting by kinesin molecular motors.

PubMed

Jia, Lili; Moorjani, Samira G; Jackson, Thomas N; Hancock, William O

2004-03-01

As biomolecular detection systems shrink in size, there is an increasing demand for systems that transport and position materials at micron- and nanoscale dimensions. Our goal is to combine cellular transport machinery-kinesin molecular motors and microtubules-with integrated optoelectronics into a hybrid biological/engineered microdevice that will bind, transport, and detect specific proteins, DNA/RNA molecules, viruses, or cells. For microscale transport, 1.5 microm deep channels were created with SU-8 photoresist on glass, kinesin motors adsorbed to the bottom of the channels, and the channel walls used to bend and redirect microtubules moving over the immobilized motors. Novel channel geometries were investigated as a means to redirect and sort microtubules moving in these channels. We show that DC and AC electric fields are sufficient to transport microtubules in solution, establishing an approach for redirecting microtubules moving in channels. Finally, we inverted the geometry to demonstrate that kinesins can transport gold nanowires along surface immobilized microtubules, providing a model for nanoscale directed assembly.

Enrichment Activities for Geometry.

ERIC Educational Resources Information Center

Usiskin, Zalman

1983-01-01

Enrichment activities that teach about geometry as they instruct in geometry are given for some significant topics. The facets of geometry included are tessellations, round robin tournaments, geometric theorems on triangles, and connections between geometry and complex numbers. (MNS)

Geometry in Early Years: Sowing Seeds for a Mathematical Definition of Squares and Rectangles

ERIC Educational Resources Information Center

Bartolini Bussi, Maria G.; Baccaglini-Frank, Anna

2015-01-01

In early years schooling it is becoming common to propose activities that involve moving along paths, or programming robots to do so. In order to promote continuity towards the introduction of geometry in primary school, we developed a long-term teaching experiment (with 15 sessions) carried out over 4 months in a first grade classroom in northern…

Topography Modeling in Atmospheric Flows Using the Immersed Boundary Method

NASA Technical Reports Server (NTRS)

Ackerman, A. S.; Senocak, I.; Mansour, N. N.; Stevens, D. E.

2004-01-01

Numerical simulation of flow over complex geometry needs accurate and efficient computational methods. Different techniques are available to handle complex geometry. The unstructured grid and multi-block body-fitted grid techniques have been widely adopted for complex geometry in engineering applications. In atmospheric applications, terrain fitted single grid techniques have found common use. Although these are very effective techniques, their implementation, coupling with the flow algorithm, and efficient parallelization of the complete method are more involved than a Cartesian grid method. The grid generation can be tedious and one needs to pay special attention in numerics to handle skewed cells for conservation purposes. Researchers have long sought for alternative methods to ease the effort involved in simulating flow over complex geometry.

Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations.

PubMed

Freire, Ricardo O; Rocha, Gerd B; Simas, Alfredo M

2006-03-01

lanthanide coordination compounds efficiently and accurately is central for the design of new ligands capable of forming stable and highly luminescent complexes. Accordingly, we present in this paper a report on the capability of various ab initio effective core potential calculations in reproducing the coordination polyhedron geometries of lanthanide complexes. Starting with all combinations of HF, B3LYP and MP2(Full) with STO-3G, 3-21G, 6-31G, 6-31G* and 6-31+G basis sets for [Eu(H2O)9]3+ and closing with more manageable calculations for the larger complexes, we computed the fully predicted ab initio geometries for a total of 80 calculations on 52 complexes of Sm(III), Eu(III), Gd(III), Tb(III), Dy(III), Ho(III), Er(III) and Tm(III), the largest containing 164 atoms. Our results indicate that RHF/STO-3G/ECP appears to be the most efficient model chemistry in terms of coordination polyhedron crystallographic geometry predictions from isolated lanthanide complex ion calculations. Moreover, both augmenting the basis set and/or including electron correlation generally enlarged the deviations and aggravated the quality of the predicted coordination polyhedron crystallographic geometry. Our results further indicate that Cosentino et al.'s suggestion of using RHF/3-21G/ECP geometries appears to be indeed a more robust, but not necessarily, more accurate recommendation to be adopted for the general lanthanide complex case. [Figure: see text].

Puzzles, Pastimes, Problems.

ERIC Educational Resources Information Center

Eperson, D. B.

1985-01-01

Presents six mathematical problems (with answers) which focus on: (1) chess moves; (2) patterned numbers; (3) quadratics with rational roots; (4) number puzzles; (5) Euclidean geometry; and (6) Carrollian word puzzles. (JN)

A Geometry Based Infra-Structure for Computational Analysis and Design

NASA Technical Reports Server (NTRS)

Haimes, Robert

1998-01-01

The computational steps traditionally taken for most engineering analysis suites (computational fluid dynamics (CFD), structural analysis, heat transfer and etc.) are: (1) Surface Generation -- usually by employing a Computer Assisted Design (CAD) system; (2) Grid Generation -- preparing the volume for the simulation; (3) Flow Solver -- producing the results at the specified operational point; (4) Post-processing Visualization -- interactively attempting to understand the results. For structural analysis, integrated systems can be obtained from a number of commercial vendors. These vendors couple directly to a number of CAD systems and are executed from within the CAD Graphical User Interface (GUI). It should be noted that the structural analysis problem is more tractable than CFD; there are fewer mesh topologies used and the grids are not as fine (this problem space does not have the length scaling issues of fluids). For CFD, these steps have worked well in the past for simple steady-state simulations at the expense of much user interaction. The data was transmitted between phases via files. In most cases, the output from a CAD system could go to Initial Graphics Exchange Specification (IGES) or Standard Exchange Program (STEP) files. The output from Grid Generators and Solvers do not really have standards though there are a couple of file formats that can be used for a subset of the gridding (i.e. PLOT3D data formats). The user would have to patch up the data or translate from one format to another to move to the next step. Sometimes this could take days. Specifically the problems with this procedure are:(1) File based -- Information flows from one step to the next via data files with formats specified for that procedure. File standards, when they exist, are wholly inadequate. For example, geometry from CAD systems (transmitted via IGES files) is defined as disjoint surfaces and curves (as well as masses of other information of no interest for the Grid Generator). This is particularly onerous for modern CAD systems based on solid modeling. The part was a proper solid and in the translation to IGES has lost this important characteristic. STEP is another standard for CAD data that exists and supports the concept of a solid. The problem with STEP is that a solid modeling geometry kernel is required to query and manipulate the data within this type of file. (2) 'Good' Geometry. A bottleneck in getting results from a solver is the construction of proper geometry to be fed to the grid generator. With 'good' geometry a grid can be constructed in tens of minutes (even with a complex configuration) using unstructured techniques. Adroit multi-block methods are not far behind. This means that a million node steady-state solution can be computed on the order of hours (using current high performance computers) starting from this 'good' geometry. Unfortunately, the geometry usually transmitted from the CAD system is not 'good' in the grid generator sense. The grid generator needs smooth closed solid geometry. It can take a week (or more) of interaction with the CAD output (sometimes by hand) before the process can begin. One way Communication. (3) One-way Communication -- All information travels on from one phase to the next. This makes procedures like node adaptation difficult when attempting to add or move nodes that sit on bounding surfaces (when the actual surface data has been lost after the grid generation phase). Until this process can be automated, more complex problems such as multi-disciplinary analysis or using the above procedure for design becomes prohibitive. There is also no way to easily deal with this system in a modular manner. One can only replace the grid generator, for example, if the software reads and writes the same files. Instead of the serial approach to analysis as described above, CAPRI takes a geometry centric approach. This makes the actual geometry (not a discretized version) accessible to all phases of the analysis. The connection to the geometry is made through an Application Programming Interface (API) and NOT a file system. This API isolates the top-level applications (grid generators, solvers and visualization components) from the geometry engine. Also this allows the replacement of one geometry kernel with another, without effecting these top-level applications. For example, if UniGraphics is used as the CAD package then Parasolid (UG's own geometry engine) can be used for all geometric queries so that no solid geometry information is lost in a translation. This is much better than STEP because when the data is queried, the same software is executed as used in the CAD system. Therefore, one analyzes the exact part that is in the CAD system. CAPRI uses the same idea as the commercial structural analysis codes but does not specify control. Software components of the CAD system are used, but the analysis suite, not the CAD operator, specifies the control of the software session. This also means that the license issues (may be) minimized and individuals need not have to know how to operate a CAD system in order to run the suite.

Multi-resolution MPS method

NASA Astrophysics Data System (ADS)

Tanaka, Masayuki; Cardoso, Rui; Bahai, Hamid

2018-04-01

In this work, the Moving Particle Semi-implicit (MPS) method is enhanced for multi-resolution problems with different resolutions at different parts of the domain utilising a particle splitting algorithm for the finer resolution and a particle merging algorithm for the coarser resolution. The Least Square MPS (LSMPS) method is used for higher stability and accuracy. Novel boundary conditions are developed for the treatment of wall and pressure boundaries for the Multi-Resolution LSMPS method. A wall is represented by polygons for effective simulations of fluid flows with complex wall geometries and the pressure boundary condition allows arbitrary inflow and outflow, making the method easier to be used in flow simulations of channel flows. By conducting simulations of channel flows and free surface flows, the accuracy of the proposed method was verified.

Irreversible particle motion in surfactant-laden interfaces due to pressure-dependent surface viscosity

NASA Astrophysics Data System (ADS)

Manikantan, Harishankar; Squires, Todd M.

2017-09-01

The surface shear viscosity of an insoluble surfactant monolayer often depends strongly on its surface pressure. Here, we show that a particle moving within a bounded monolayer breaks the kinematic reversibility of low-Reynolds-number flows. The Lorentz reciprocal theorem allows such irreversibilities to be computed without solving the full nonlinear equations, giving the leading-order contribution of surface pressure-dependent surface viscosity. In particular, we show that a disc translating or rotating near an interfacial boundary experiences a force in the direction perpendicular to that boundary. In unbounded monolayers, coupled modes of motion can also lead to non-intuitive trajectories, which we illustrate using an interfacial analogue of the Magnus effect. This perturbative approach can be extended to more complex geometries, and to two-dimensional suspensions more generally.

Digital Thickness Measurement of a Transparent Plastic Orthodontic Device

NASA Astrophysics Data System (ADS)

Kim, Yoon-Hwan; Rhim, Sung-Han

2018-05-01

A transparent orthodontic device is used to move the teeth to the final calibration position to form a proper set of teeth. Because the uniform thickness of the device plays an important role in tooth positioning, the accuracy of the device's thickness profile is important for effective orthodontic treatment. However, due to the complexity of the device's geometry and the transparency of the device's material, measuring the complete thickness profile has been difficult. In the present study, a new optical scanning method to measure the thickness profile of transparent plastic orthodontic devices is proposed and evaluated by using scanning electron microscopy (SEM). The error of the new measurement method is less than ±18 μm. The new method can be used to measure the thickness of non-specific, multi-curved, transparent orthodontic devices.

Passive orientation apparatus

DOEpatents

Spletzer, Barry L.; Fischer, Gary J.; Martinez, Michael A.

2001-01-01

An apparatus that can return a payload to a known orientation after unknown motion, without requiring external power or complex mechanical systems. The apparatus comprises a faceted cage that causes the system to rest in a stable position and orientation after arbitrary motion. A gimbal is mounted with the faceted cage and holds the payload, allowing the payload to move relative to the stable faceted cage. The payload is thereby placed in a known orientation by the interaction of gravity with the geometry of the faceted cage, the mass of the system, and the motion of the payload and gimbal. No additional energy, control, or mechanical actuation is required. The apparatus is suitable for use in applications requiring positioning of a payload to a known orientation after arbitrary or uncontrolled motion, including remote sensing and mobile robot applications.

KSC-01pp1195

NASA Image and Video Library

2001-06-26

KENNEDY SPACE CENTER, Fla. -- Workers at Launch Complex 17-B, Cape Canaveral Air Force Station, watch as fairing moves into position around the Microwave Anisotropy Probe (MAP) spacecraft. MAP is scheduled for launch on June 30 aboard a Boeing Delta II rocket. The launch will place MAP into a lunar-assisted trajectory to the Sun-Earth for a 27-month mission. The probe will measure small fluctuations in the temperature of the cosmic microwave background radiation to an accuracy of one millionth of a degree. These measurements should reveal the size, matter content, age, geometry and fate of the universe. They will also reveal the primordial structure that grew to form galaxies and will test ideas about the origins of these primordial structures. The MAP instrument will be continuously shaded from the Sun, Earth, and Moon by the spacecraft

KSC-01pp1194

NASA Image and Video Library

2001-06-26

KENNEDY SPACE CENTER, Fla. -- At Launch Complex 17-B, Cape Canaveral Air Force Station, the fairing is moved into position around the Microwave Anisotropy Probe (MAP) spacecraft. MAP is scheduled for launch on June 30 aboard a Boeing Delta II rocket. The launch will place MAP into a lunar-assisted trajectory to the Sun-Earth for a 27-month mission. The probe will measure small fluctuations in the temperature of the cosmic microwave background radiation to an accuracy of one millionth of a degree. These measurements should reveal the size, matter content, age, geometry and fate of the universe. They will also reveal the primordial structure that grew to form galaxies and will test ideas about the origins of these primordial structures. The MAP instrument will be continuously shaded from the Sun, Earth, and Moon by the spacecraft

Minimizing Actuator-Induced Residual Error in Active Space Telescope Primary Mirrors

DTIC Science & Technology

2010-09-01

actuator geometry, and rib-to-facesheet intersection geometry are exploited to achieve improved performance in silicon carbide ( SiC ) mirrors . A...are exploited to achieve improved performance in silicon carbide ( SiC ) mirrors . A parametric finite element model is used to explore the trade space...MOST) finite element model. The move to lightweight actively-controlled silicon carbide ( SiC ) mirrors is traced back to previous generations of space

Numerical Simulation of Multiphase Magnetohydrodynamic Flow and Deformation of Electrolyte-Metal Interface in Aluminum Electrolysis Cells

NASA Astrophysics Data System (ADS)

Hua, Jinsong; Rudshaug, Magne; Droste, Christian; Jorgensen, Robert; Giskeodegard, Nils-Haavard

2018-06-01

A computational fluid dynamics based multiphase magnetohydrodynamic (MHD) flow model for simulating the melt flow and bath-metal interface deformation in realistic aluminum reduction cells is presented. The model accounts for the complex physics of the MHD problem in aluminum reduction cells by coupling two immiscible fluids, electromagnetic field, Lorentz force, flow turbulence, and complex cell geometry with large length scale. Especially, the deformation of bath-metal interface is tracked directly in the simulation, and the condition of constant anode-cathode distance (ACD) is maintained by moving anode bottom dynamically with the deforming bath-metal interface. The metal pad deformation and melt flow predicted by the current model are compared to the predictions using a simplified model where the bath-metal interface is assumed flat. The effects of the induced electric current due to fluid flow and the magnetic field due to the interior cell current on the metal pad deformation and melt flow are investigated. The presented model extends the conventional simplified box model by including detailed cell geometry such as the ledge profile and all channels (side, central, and cross-channels). The simulations show the model sensitivity to different side ledge profiles and the cross-channel width by comparing the predicted melt flow and metal pad heaving. In addition, the model dependencies upon the reduction cell operation conditions such as ACD, current distribution on cathode surface and open/closed channel top, are discussed.

User's guide for a computer program for calculating the zero-lift wave drag of complex aircraft configurations

NASA Technical Reports Server (NTRS)

Craidon, C. B.

1983-01-01

A computer program was developed to extend the geometry input capabilities of previous versions of a supersonic zero lift wave drag computer program. The arbitrary geometry input description is flexible enough to describe almost any complex aircraft concept, so that highly accurate wave drag analysis can now be performed because complex geometries can be represented accurately and do not have to be modified to meet the requirements of a restricted input format.

The geometry of expertise

PubMed Central

Leone, María J.; Fernandez Slezak, Diego; Cecchi, Guillermo A.; Sigman, Mariano

2014-01-01

Theories of expertise based on the acquisition of chunk and templates suggest a differential geometric organization of perception between experts and novices. It is implied that expert representation is less anchored by spatial (Euclidean) proximity and may instead be dictated by the intrinsic relation in the structure and grammar of the specific domain of expertise. Here we set out to examine this hypothesis. We used the domain of chess which has been widely used as a tool to study human expertise. We reasoned that the movement of an opponent piece to a specific square constitutes an external cue and the reaction of the player to this “perturbation” should reveal his internal representation of proximity. We hypothesized that novice players will tend to respond by moving a piece in closer squares than experts. Similarly, but now in terms of object representations, we hypothesized weak players will more likely focus on a specific piece and hence produce sequence of actions repeating movements of the same piece. We capitalized on a large corpus of data obtained from internet chess servers. Results showed that, relative to experts, weaker players tend to (1) produce consecutive moves in proximal board locations, (2) move more often the same piece and (3) reduce the number of remaining pieces more rapidly, most likely to decrease cognitive load and mental effort. These three principles might reflect the effect of expertise on human actions in complex setups. PMID:24550869

Fluorescence imaging of single-molecule retention trajectories in reversed-phase chromatographic particles.

PubMed

Cooper, Justin T; Peterson, Eric M; Harris, Joel M

2013-10-01

Due to its high specific surface area and chemical stability, porous silica is used as a support structure in numerous applications, including heterogeneous catalysis, biomolecule immobilization, sensors, and liquid chromatography. Reversed-phase liquid chromatography (RPLC), which uses porous silica support particles, has become an indispensable separations tool in quality control, pharmaceutics, and environmental analysis requiring identification of compounds in mixtures. For complex samples, the need for higher resolution separations requires an understanding of the time scale of processes responsible for analyte retention in the stationary phase. In the present work, single-molecule fluorescence imaging is used to observe transport of individual molecules within RPLC porous silica particles. This technique allows direct measurement of intraparticle molecular residence times, intraparticle diffusion rates, and the spatial distribution of molecules within the particle. On the basis of the localization uncertainty and characteristic measured diffusion rates, statistical criteria were developed to resolve the frame-to-frame behavior of molecules into moving and stuck events. The measured diffusion coefficient of moving molecules was used in a Monte Carlo simulation of a random-walk model within the cylindrical geometry of the particle diameter and microscope depth-of-field. The simulated molecular transport is in good agreement with the experimental data, indicating transport of moving molecules in the porous particle is described by a random-walk. Histograms of stuck-molecule event times, locations, and their contributions to intraparticle residence times were also characterized.

A weakly-compressible Cartesian grid approach for hydrodynamic flows

NASA Astrophysics Data System (ADS)

Bigay, P.; Oger, G.; Guilcher, P.-M.; Le Touzé, D.

2017-11-01

The present article aims at proposing an original strategy to solve hydrodynamic flows. In introduction, the motivations for this strategy are developed. It aims at modeling viscous and turbulent flows including complex moving geometries, while avoiding meshing constraints. The proposed approach relies on a weakly-compressible formulation of the Navier-Stokes equations. Unlike most hydrodynamic CFD (Computational Fluid Dynamics) solvers usually based on implicit incompressible formulations, a fully-explicit temporal scheme is used. A purely Cartesian grid is adopted for numerical accuracy and algorithmic simplicity purposes. This characteristic allows an easy use of Adaptive Mesh Refinement (AMR) methods embedded within a massively parallel framework. Geometries are automatically immersed within the Cartesian grid with an AMR compatible treatment. The method proposed uses an Immersed Boundary Method (IBM) adapted to the weakly-compressible formalism and imposed smoothly through a regularization function, which stands as another originality of this work. All these features have been implemented within an in-house solver based on this WCCH (Weakly-Compressible Cartesian Hydrodynamic) method which meets the above requirements whilst allowing the use of high-order (> 3) spatial schemes rarely used in existing hydrodynamic solvers. The details of this WCCH method are presented and validated in this article.

Focusing patterns of seismicity with relocation and collapsing

NASA Astrophysics Data System (ADS)

Li, Ka Lok; Gudmundsson, Ólafur; Tryggvason, Ari; Bödvarsson, Reynir; Brandsdóttir, Bryndís

2016-07-01

Seismicity is generally concentrated on faults or in fault zones of varying, sometimes complex geometry. An earthquake catalog, compiled over time, contains useful information about this geometry, which can help understanding the tectonics of a region. Interpreting the geometrical distribution of events in a catalog is often complicated by the diffuseness of the earthquake locations. Here, we explore a number of strategies to reduce this diffuseness and hence simplify the seismicity pattern of an earthquake catalog. These strategies utilize information about event locations contained in their overall catalog distribution. They apply this distribution as an a priori constraint on relocations of the events, or as an attractor for each individual event in a collapsing scheme, and thereby focus the locations. The latter strategy is not a relocation strategy in a strict sense, although event foci are moved, because the movements are not driven by data misfit. Both strategies simplify the seismicity pattern of the catalog and may help to interpret it. A synthetic example and a real-data example from an aftershock sequence in south west Iceland are presented to demonstrate application of the strategies. Entropy is used to quantify their effect.

3D simulation of polyurethane foam injection and reacting mold flow in a complex geometry

NASA Astrophysics Data System (ADS)

Özdemir, İ. Bedii; Akar, Fırat

2018-05-01

The aim of the present work is to develop a flow model which can be used to determine the paths of the polyurethane foam in the mold filling process of a refrigerator cabinet so that improvements in the distribution and the size of the venting holes can be achieved without the expensive prototyping and experiments. For this purpose, the multi-component, two-phase chemically reacting flow is described by Navier Stokes and 12 scalar transport equations. The air and the multi-component foam zones are separated by an interface, which moves only with advection since the mass diffusion of species are set zero in the air zone. The inverse density, viscosity and other diffusion coefficients are calculated by a mass fraction weighted average of the corresponding temperature-dependent values of all species. Simulations are performed in a real refrigerator geometry, are able to reveal the problematical zones where air bubbles and voids trapped in the solidified foam are expected to occur. Furthermore, the approach proves itself as a reliable design tool to use in deciding the locations of air vents and sizing the channel dimensions.

Precursor systems analyses of automated highway systems. Activity area p preliminary cost/benefit factors analysis. Volume 4. Roadway costs. Final report, September 1993-November 1994

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1995-06-01

This report gives a preliminary cost benefit factor analysis for Automatic Highway Systems (AHS) implementation on a representative section of existing highway. The text describes the approach used to develop cost associated with the roadway portion of AHS and gives cost estimates for 5 basic implementation options: install `transparent equipment in roadway` that will give performance gains to those vehicles equipped to `see` it (e.g. magnetic nails); move towards separated roadway for AHS rumble strips or paint, then fully separated with either continuous barriers with dedicated entry/exit ramps or separate facility such an elevated structure; expand AHS capabilities further somore » AHS traffic can now use existing roadways with other traffic and formerly dedicated facilities can be converted to higher speed through traffic. However, the actual implementation will necessarily be a function of local roadway geometry, system demand, and a complex combination of other factors. Very few existing roadways can accommodate these specific conversions directly. Therefore, we have generated roadway retrofit options that can be used depending on local geometry to support this general evolution philosophy.« less

Synthesis, spectral characterization and catalytic activity of Co(II) complexes of drugs: crystal structure of Co(II)-trimethoprim complex.

PubMed

Madhupriya, Selvaraj; Elango, Kuppanagounder P

2014-01-24

New Co(II) complexes with drugs such as trimethoprim (TMP), cimetidine (CTD), niacinamide (NAM) and ofloxacin (OFL) as ligands were synthesized. The complexes were characterized by analytical analysis, various spectral techniques such as FT-IR, UV-Vis, magnetic measurements and molar conductivity. The magnetic susceptibility results coupled with the electronic spectra suggested a tetrahedral geometry for the complexes. The coordination mode of trimethoprim ligand and geometry of the complex were confirmed by single crystal X-ray studies. In this complex the metal ion possesses a tetrahedral geometry with two nitrogen atom from two TMP ligands and two chloride ions coordinated to it. The catalytic activity of the complexes in aryl-aryl coupling reaction was screened and the results indicated that among the four complexes [Co(OFL)Cl(H2O)] exhibited excellent catalytic activity. Copyright © 2013 Elsevier B.V. All rights reserved.

Solar Proton Transport within an ICRU Sphere Surrounded by a Complex Shield: Combinatorial Geometry

NASA Technical Reports Server (NTRS)

Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2015-01-01

The 3DHZETRN code, with improved neutron and light ion (Z (is) less than 2) transport procedures, was recently developed and compared to Monte Carlo (MC) simulations using simplified spherical geometries. It was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in general combinatorial geometry. A more complex shielding structure with internal parts surrounding a tissue sphere is considered and compared against MC simulations. It is shown that even in the more complex geometry, 3DHZETRN agrees well with the MC codes and maintains a high degree of computational efficiency.

WE-AB-207A-09: Optimization of the Design of a Moving Blocker for Cone-Beam CT Scatter Correction: Experimental Evaluation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, X; Ouyang, L; Jia, X

Purpose: A moving blocker based strategy has shown promising results for scatter correction in cone-beam computed tomography (CBCT). Different geometry designs and moving speeds of the blocker affect its performance in image reconstruction accuracy. The goal of this work is to optimize the geometric design and moving speed of the moving blocker system through experimental evaluations. Methods: An Elekta Synergy XVI system and an anthropomorphic pelvis phantom CIRS 801-P were used for our experiment. A blocker consisting of lead strips was inserted between the x-ray source and the phantom moving back and forth along rotation axis to measure the scattermore » signal. Accoriding to our Monte Carlo simulation results, three blockers were used, which have the same lead strip width 3.2mm and different gap between neighboring lead strips, 3.2, 6.4 and 9.6mm. For each blocker, three moving speeds were evaluated, 10, 20 and 30 pixels per projection (on the detector plane). Scatter signal in the unblocked region was estimated by cubic B-spline based interpolation from the blocked region. CBCT image was reconstructed by a total variation (TV) based algebraic iterative reconstruction (ART) algorithm from the partially blocked projection data. Reconstruction accuracy in each condition is quantified as CT number error of region of interest (ROI) by comparing to a CBCT reconstructed image from analytically simulated unblocked and scatter free projection data. Results: Highest reconstruction accuracy is achieved when the blocker width is 3.2 mm, the gap between neighboring lead strips is 9.6 mm and the moving speed is 20 pixels per projection. RMSE of the CT number of ROIs can be reduced from 436 to 27. Conclusions: Image reconstruction accuracy is greatly affected by the geometry design of the blocker. The moving speed does not have a very strong effect on reconstruction result if it is over 20 pixels per projection.« less

Application of conformal transformation to elliptic geometry for electric impedance tomography.

PubMed

Yilmaz, Atila; Akdoğan, Kurtuluş E; Saka, Birsen

2008-03-01

Electrical impedance tomography (EIT) is a medical imaging modality that is used to compute the conductivity distribution through measurements on the cross-section of a body part. An elliptic geometry model, which defines a more general frame, ensures more accurate results in reconstruction and assessment of inhomogeneities inside. This study provides a link between the analytical solutions defined in circular and elliptical geometries on the basis of the computation of conformal mapping. The results defined as voltage distributions for the homogeneous case in elliptic and circular geometries have been compared with those obtained by the use of conformal transformation between elliptical and well-known circular geometry. The study also includes the results of the finite element method (FEM) as another approach for more complex geometries for the comparison of performance in other complex scenarios for eccentric inhomogeneities. The study emphasizes that for the elliptic case the analytical solution with conformal transformation is a reliable and useful tool for developing insight into more complex forms including eccentric inhomogeneities.

Modelling Fault Zone Evolution: Implications for fluid flow.

NASA Astrophysics Data System (ADS)

Moir, H.; Lunn, R. J.; Shipton, Z. K.

2009-04-01

Flow simulation models are of major interest to many industries including hydrocarbon, nuclear waste, sequestering of carbon dioxide and mining. One of the major uncertainties in these models is in predicting the permeability of faults, principally in the detailed structure of the fault zone. Studying the detailed structure of a fault zone is difficult because of the inaccessible nature of sub-surface faults and also because of their highly complex nature; fault zones show a high degree of spatial and temporal heterogeneity i.e. the properties of the fault change as you move along the fault, they also change with time. It is well understood that faults influence fluid flow characteristics. They may act as a conduit or a barrier or even as both by blocking flow across the fault while promoting flow along it. Controls on fault hydraulic properties include cementation, stress field orientation, fault zone components and fault zone geometry. Within brittle rocks, such as granite, fracture networks are limited but provide the dominant pathway for flow within this rock type. Research at the EU's Soultz-sous-Forệt Hot Dry Rock test site [Evans et al., 2005] showed that 95% of flow into the borehole was associated with a single fault zone at 3490m depth, and that 10 open fractures account for the majority of flow within the zone. These data underline the critical role of faults in deep flow systems and the importance of achieving a predictive understanding of fault hydraulic properties. To improve estimates of fault zone permeability, it is important to understand the underlying hydro-mechanical processes of fault zone formation. In this research, we explore the spatial and temporal evolution of fault zones in brittle rock through development and application of a 2D hydro-mechanical finite element model, MOPEDZ. The authors have previously presented numerical simulations of the development of fault linkage structures from two or three pre-existing joints, the results of which compare well to features observed in mapped exposures. For these simple simulations from a small number of pre-existing joints the fault zone evolves in a predictable way: fault linkage is governed by three key factors: Stress ratio of s1 (maximum compressive stress) to s3(minimum compressive stress), original geometry of the pre-existing structures (contractional vs. dilational geometries) and the orientation of the principle stress direction (σ1) to the pre-existing structures. In this paper we present numerical simulations of the temporal and spatial evolution of fault linkage structures from many pre-existing joints. The initial location, size and orientations of these joints are based on field observations of cooling joints in granite from the Sierra Nevada. We show that the constantly evolving geometry and local stress field perturbations contribute significantly to fault zone evolution. The location and orientations of linkage structures previously predicted by the simple simulations are consistent with the predicted geometries in the more complex fault zones, however, the exact location at which individual structures form is not easily predicted. Markedly different fault zone geometries are predicted when the pre-existing joints are rotated with respect to the maximum compressive stress. In particular, fault surfaces range from evolving smooth linear structures to producing complex ‘stepped' fault zone geometries. These geometries have a significant effect on simulations of along and across-fault flow.

Use of integrated analogue and numerical modelling to predict tridimensional fracture intensity in fault-related-folds.

NASA Astrophysics Data System (ADS)

Pizzati, Mattia; Cavozzi, Cristian; Magistroni, Corrado; Storti, Fabrizio

2016-04-01

Fracture density pattern predictions with low uncertainty is a fundamental issue for constraining fluid flow pathways in thrust-related anticlines in the frontal parts of thrust-and-fold belts and accretionary prisms, which can also provide plays for hydrocarbon exploration and development. Among the drivers that concur to determine the distribution of fractures in fold-and-thrust-belts, the complex kinematic pathways of folded structures play a key role. In areas with scarce and not reliable underground information, analogue modelling can provide effective support for developing and validating reliable hypotheses on structural architectures and their evolution. In this contribution, we propose a working method that combines analogue and numerical modelling. We deformed a sand-silicone multilayer to eventually produce a non-cylindrical thrust-related anticline at the wedge toe, which was our test geological structure at the reservoir scale. We cut 60 serial cross-sections through the central part of the deformed model to analyze faults and folds geometry using dedicated software (3D Move). The cross-sections were also used to reconstruct the 3D geometry of reference surfaces that compose the mechanical stratigraphy thanks to the use of the software GoCad. From the 3D model of the experimental anticline, by using 3D Move it was possible to calculate the cumulative stress and strain underwent by the deformed reference layers at the end of the deformation and also in incremental steps of fold growth. Based on these model outputs it was also possible to predict the orientation of three main fractures sets (joints and conjugate shear fractures) and their occurrence and density on model surfaces. The next step was the upscaling of the fracture network to the entire digital model volume, to create DFNs.

An interactive local flattening operator to support digital investigations on artwork surfaces.

PubMed

Pietroni, Nico; Massimiliano, Corsini; Cignoni, Paolo; Scopigno, Roberto

2011-12-01

Analyzing either high-frequency shape detail or any other 2D fields (scalar or vector) embedded over a 3D geometry is a complex task, since detaching the detail from the overall shape can be tricky. An alternative approach is to move to the 2D space, resolving shape reasoning to easier image processing techniques. In this paper we propose a novel framework for the analysis of 2D information distributed over 3D geometry, based on a locally smooth parametrization technique that allows us to treat local 3D data in terms of image content. The proposed approach has been implemented as a sketch-based system that allows to design with a few gestures a set of (possibly overlapping) parameterizations of rectangular portions of the surface. We demonstrate that, due to the locality of the parametrization, the distortion is under an acceptable threshold, while discontinuities can be avoided since the parametrized geometry is always homeomorphic to a disk. We show the effectiveness of the proposed technique to solve specific Cultural Heritage (CH) tasks: the analysis of chisel marks over the surface of a unfinished sculpture and the local comparison of multiple photographs mapped over the surface of an artwork. For this very difficult task, we believe that our framework and the corresponding tool are the first steps toward a computer-based shape reasoning system, able to support CH scholars with a medium they are more used to. © 2011 IEEE

Engineering fluid flow using sequenced microstructures

NASA Astrophysics Data System (ADS)

Amini, Hamed; Sollier, Elodie; Masaeli, Mahdokht; Xie, Yu; Ganapathysubramanian, Baskar; Stone, Howard A.; di Carlo, Dino

2013-05-01

Controlling the shape of fluid streams is important across scales: from industrial processing to control of biomolecular interactions. Previous approaches to control fluid streams have focused mainly on creating chaotic flows to enhance mixing. Here we develop an approach to apply order using sequences of fluid transformations rather than enhancing chaos. We investigate the inertial flow deformations around a library of single cylindrical pillars within a microfluidic channel and assemble these net fluid transformations to engineer fluid streams. As these transformations provide a deterministic mapping of fluid elements from upstream to downstream of a pillar, we can sequentially arrange pillars to apply the associated nested maps and, therefore, create complex fluid structures without additional numerical simulation. To show the range of capabilities, we present sequences that sculpt the cross-sectional shape of a stream into complex geometries, move and split a fluid stream, perform solution exchange and achieve particle separation. A general strategy to engineer fluid streams into a broad class of defined configurations in which the complexity of the nonlinear equations of fluid motion are abstracted from the user is a first step to programming streams of any desired shape, which would be useful for biological, chemical and materials automation.

Slip-flow in complex porous media as determined by a multi-relaxation-time lattice Boltzmann model

NASA Astrophysics Data System (ADS)

Landry, C. J.; Prodanovic, M.; Eichhubl, P.

2014-12-01

The pores and throats of shales and mudrocks are predominantly found within a range of 1-100 nm, within this size range the flow of gas at reservoir conditions will fall within the slip-flow and low transition-flow regime (0.001 < Kn < 0.5). Currently, the study of slip-flows is for the most part limited to simple tube and channel geometries, however, the geometry of mudrock pores is often sponge-like (organic matter) and/or platy (clays). Molecular dynamics (MD) simulations can be used to predict slip-flow in complex geometries, but due to prohibitive computational demand are generally limited to small volumes (one to several pores). Here we present a multi-relaxation-time lattice Boltzmann model (LBM) parameterized for slip-flow (Guo et al. 2008) and adapted here to complex geometries. LBMs are inherently parallelizable, such that flow in complex geometries of significant (near REV-scale) volumes can be readily simulated at a fraction of the computational cost of MD simulations. At the macroscopic-scale the LBM is parameterized with local effective viscosities at each node to capture the variance of the mean-free-path of gas molecules in a bounded system. The corrected mean-free-path for each lattice node is determined using the mean distance of the node to the pore-wall and Stop's correction for mean-free-paths in an infinite parallel-plate geometry. At the microscopic-scale, a combined bounce-back specular-reflection boundary condition is applied to the pore-wall nodes to capture Maxwellian-slip. The LBM simulation results are first validated in simple tube and channel geometries, where good agreement is found for Knudsen numbers below 0.1, and fair agreement is found for Knudsen numbers between 0.1 and 0.5. More complex geometries are then examined including triangular-ducts and ellipsoid-ducts, both with constant and tapering/expanding cross-sections, as well as a clay pore-network imaged from a hydrocarbon producing shale by sequential focused ion-beam scanning electron microscopy. These results are analyzed to determine grid-independent resolutions, and used to explore the relationship between effective permeability and Knudsen number in complex geometries.

Solar proton exposure of an ICRU sphere within a complex structure Part I: Combinatorial geometry.

PubMed

Wilson, John W; Slaba, Tony C; Badavi, Francis F; Reddell, Brandon D; Bahadori, Amir A

2016-06-01

The 3DHZETRN code, with improved neutron and light ion (Z≤2) transport procedures, was recently developed and compared to Monte Carlo (MC) simulations using simplified spherical geometries. It was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in general combinatorial geometry. A more complex shielding structure with internal parts surrounding a tissue sphere is considered and compared against MC simulations. It is shown that even in the more complex geometry, 3DHZETRN agrees well with the MC codes and maintains a high degree of computational efficiency. Published by Elsevier Ltd.

Numerical Study of Impingement Location of Liquid Jet Poured from a Tilting Ladle with Lip Spout

NASA Astrophysics Data System (ADS)

Castilla, R.; Gamez-Montero, P. J.; Raush, G.; Khamashta, M.; Codina, E.

2017-04-01

A new approach for simulating liquid poured from a tilting lip spout is presented, using neither a dynamic mesh nor the moving solid solution method. In this case only the tilting ladle is moving, so we propose to rotate the gravitational acceleration at an angular velocity prescribed by a geometrical and dynamical calculation to keep the poured flow rate constant. This angular velocity is applied to modify the orientation of the gravity vector in computational fluid dynamics (CFD) simulations using the OpenFOAM® toolbox. Also, fictitious forces are considered. The modified solver is used to calculate the impingement location for six spout geometries and compare the jet dispersion there. This method could offer an inexpensive tool to calculate optimal spout geometries to reduce sprue size in the metal casting industry.

Dynamic finite element analysis and moving particle simulation of human enamel on a microscale.

PubMed

Yamaguchi, Satoshi; Coelho, Paulo G; Thompson, Van P; Tovar, Nick; Yamauchi, Junpei; Imazato, Satoshi

2014-12-01

The study of biomechanics of deformation and fracture of hard biological tissues involving organic matrix remains a challenge as variations in mechanical properties and fracture mode may have time-dependency. Finite element analysis (FEA) has been widely used but the shortcomings of FEA such as the long computation time owing to re-meshing in simulating fracture mechanics have warranted the development of alternative computational methods with higher throughput. The aim of this study was to compare dynamic two-dimensional FEA and moving particle simulation (MPS) when assuming a plane strain condition in the modeling of human enamel on a reduced scale. Two-dimensional models with the same geometry were developed for MPS and FEA and tested in tension generated with a single step of displacement. The displacement, velocity, pressure, and stress levels were compared and Spearman׳s rank-correlation coefficients R were calculated (p<0.001). The MPS and FEA were significantly correlated for displacement, velocity, pressure, and Y-stress. The MPS may be further developed as an alternative approach without mesh generation to simulate deformation and fracture phenomena of dental and potentially other hard tissues with complex microstructure. Copyright © 2014 Elsevier Ltd. All rights reserved.

Vorticity dipoles and a theoretical model of a finite force at the moving contact line singularity

NASA Astrophysics Data System (ADS)

Zhang, Peter; Devoria, Adam; Mohseni, Kamran

2017-11-01

In the well known works of Moffatt (1964) and Huh & Scriven (1971), an infinite force was reported at the moving contact line (MCL) and attributed to a non-integrable stress along the fluid-solid boundary. In our recent investigation of the boundary driven wedge, a model of the MCL, we find that the classical solution theoretically predicts a finite force at the contact line if the forces applied by the two boundaries that make up the corner are taken into consideration. Mathematically, this force can be obtained by the complex contour integral of the holomorphic vorticity-pressure function given by G = μω + ip . Alternatively, this force can also be found using a carefully defined real integral that incorporates the two boundaries. Motivated by this discovery, we have found that the rate of change in circulation, viscous energy dissipation, and viscous energy flux is also finite per unit contact line length. The analysis presented demonstrates that despite a singular stress and a relatively simple geometry, the no-slip semi-infinite wedge is capable of capturing some physical quantities of interest. Furthermore, this result provides a foundation for other challenging topics such as dynamic contact angle.

Fold-Thrust mapping using photogrammetry in Western Champsaur basin, SE France

NASA Astrophysics Data System (ADS)

Totake, Y.; Butler, R.; Bond, C. E.

2016-12-01

There is an increasing demand for high-resolution geometric data for outcropping geological structures - not only to test models for their formation and evolution but also to create synthetic seismic visualisations for comparison with subsurface data. High-resolution 3D scenes reconstructed by modern photogrammetry offer an efficient toolbox for such work. When integrated with direct field measurements and observations, these products can be used to build geological interpretations and models. Photogrammetric techniques using standard equipment are ideally suited to working in the high mountain terrain that commonly offers the best outcrops, as all equipment is readily portable and, in the absence of cloud-cover, not restricted to the meteorological and legal restrictions that can affect some airborne approaches. The workflows and approaches for generating geological models utilising such photogrammetry techniques are the focus of our contribution. Our case study comes from SE France where early Alpine fore-deep sediments have been deformed into arrays of fold-thrust complexes. Over 1500m vertical relief provides excellent outcrop control with surrounding hillsides providing vantage points for ground-based photogrammetry. We collected over 9,400 photographs across the fold-thrust array using a handheld digital camera from 133 ground locations that were individually georeferenced. We processed the photographic images within the software PhotoScan-Pro to build 3D landscape scenes. The built photogrammetric models were then imported into the software Move, along with field measurements, to map faults and sedimentary layers and to produce geological cross sections and 3D geological surfaces. Polylines of sediment beds and faults traced on our photogrammetry models allow interpretation of a pseudo-3D geometry of the deformation structures, and enable prediction of dips and strikes from inaccessible field areas, to map the complex geometries of the thrust faults and deformed strata in detail. The resultant structural geometry of the thrust zones delivers an exceptional analogue to inaccessible subsurface fold-thrust structures which are often challenging to obtain a clear seismic image.

The metamorphoses of relativity

NASA Astrophysics Data System (ADS)

Staley, Richard

This talk will explore the ways that problems shifted and disciplinary boundaries changed around physicists' engagement with relational physics and relativistic thought, first in research dealing with physiology, psychology and geometry in the late nineteenth century and then (a better-known story) moving between physics, mathematics and geometry in the twentieth century. I hope to develop a richer approach for understanding the disciplinary and political significance of relativity, especially by considering in one framework the work of Engels, Mach, Einstein and Planck.

Variable geometry Darrieus wind machine

NASA Astrophysics Data System (ADS)

Pytlinski, J. T.; Serrano, D.

1983-08-01

A variable geometry Darrieus wind machine is proposed. The lower attachment of the blades to the rotor can move freely up and down the axle allowing the blades of change shape during rotation. Experimental data for a 17 m. diameter Darrieus rotor and a theoretical model for multiple streamtube performance prediction were used to develop a computer simulation program for studying parameters that affect the machine's performance. This new variable geometry concept is described and interrelated with multiple streamtube theory through aerodynamic parameters. The computer simulation study shows that governor behavior of a Darrieus turbine can not be attained by a standard turbine operating within normally occurring rotational velocity limits. A second generation variable geometry Darrieus wind turbine which uses a telescopic blade is proposed as a potential improvement on the studied concept.

Reassessment of the Necessity of the Proton Gantry: Analysis of Beam Orientations From 4332 Treatments at the Massachusetts General Hospital Proton Center Over the Past 10 Years

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Susu, E-mail: syan5@mgh.harvard.edu; Lu, Hsiao-Ming; Flanz, Jay

2016-05-01

Purpose: To retrospectively analyze the beam approaches used in gantry-based proton treatments, and to reassess the practical advantages of the gantry, compared with beam approaches that are achievable without a gantry, in the context of present-day technology. Methods and Materials: We reviewed the proton therapy plans of 4332 patients treated on gantries at our hospital, delivered by the double scattering technique (n=4228) and, more recently, pencil beam scanning (PBS) (n=104). Beam approaches, relative to the patient frame, were analyzed individually to identify cases that could be treated without a gantry. Three treatment configurations were considered, with the patient in lying position,more » sitting position, or both. The FIXED geometry includes a fixed horizontal portal. The BEND geometry enables a limited vertical inflection of the beam by up to 20°. The MOVE geometry allows for flexibility of the patient head and body setup. Results: The percentage of patients with head and neck tumors that could be treated without a gantry using double scattering was 44% in FIXED, 70% in 20° BEND, and 100% in 90° MOVE. For torso regions, 99% of patients could be treated in 20° BEND. Of 104 PBS treatments, all but 1 could be reproduced with FIXED geometry. The only exception would require a 10° BEND capability. Note here that the PBS treatments were applied to select anatomic sites, including only 2 patients with skull-base tumors. Conclusions: The majority of practical beam approaches can be realized with gantry-less delivery, aided by limited beam bending and patient movements. Practical limitations of the MOVE geometry, and treatments requiring a combination of lying and sitting positions, may lower the percentage of head and neck patients who could be treated without a gantry. Further investigation into planning, immobilization, and imaging is needed to remove the practical limitations and to facilitate proton treatment without a gantry.« less

Transition States and transition state analogue interactions with enzymes.

PubMed

Schramm, Vern L

2015-04-21

Enzymatic transition states have lifetimes of a few femtoseconds (fs). Computational analysis of enzyme motions leading to transition state formation suggests that local catalytic site motions on the fs time scale provide the mechanism to locate transition states. An experimental test of protein fs motion and its relation to transition state formation can be provided by isotopically heavy proteins. Heavy enzymes have predictable mass-altered bond vibration states without altered electrostatic properties, according to the Born-Oppenheimer approximation. On-enzyme chemistry is slowed in most heavy proteins, consistent with altered protein bond frequencies slowing the search for the transition state. In other heavy enzymes, structural changes involved in reactant binding and release are also influenced. Slow protein motions associated with substrate binding and catalytic site preorganization are essential to allow the subsequent fs motions to locate the transition state and to facilitate the efficient release of products. In the catalytically competent geometry, local groups move in stochastic atomic motion on the fs time scale, within transition state-accessible conformations created by slower protein motions. The fs time scale for the transition state motions does not permit thermodynamic equilibrium between the transition state and stable enzyme states. Isotopically heavy enzymes provide a diagnostic tool for fast coupled protein motions to transition state formation and mass-dependent conformational changes. The binding of transition state analogue inhibitors is the opposite in catalytic time scale to formation of the transition state but is related by similar geometries of the enzyme-transition state and enzyme-inhibitor interactions. While enzymatic transition states have lifetimes as short as 10(-15) s, transition state analogues can bind tightly to enzymes with release rates greater than 10(3) s. Tight-binding transition state analogues stabilize the rare but evolved enzymatic geometry to form the transition state. Evolution to efficient catalysis optimized this geometry and its stabilization by a transition state mimic results in tight binding. Release rates of transition state analogues are orders of magnitude slower than product release in normal catalytic function. During catalysis, product release is facilitated by altered chemistry. Compared to the weak associations found in Michaelis complexes, transition state analogues involve strong interactions related to those in the transition state. Optimum binding of transition state analogues occurs when the complex retains the system motions intrinsic to transition state formation. Conserved dynamic motion retains the entropic components of inhibitor complexes, improving the thermodynamics of analogue binding.

Three VO2+ complexes of the pyridoxal-derived Schiff bases: Synthesis, experimental and theoretical characterizations, and catalytic activity in a cyclocondensation reaction

NASA Astrophysics Data System (ADS)

Jafari-Moghaddam, Faezeh; Beyramabadi, S. Ali; Khashi, Maryam; Morsali, Ali

2018-02-01

Three oxovanadium(IV) complexes of the pyridoxal Schiff bases have been newly synthesized and characterized. The used Schiff bases were N,N‧-dipyridoxyl(ethylenediamine), N,N‧-dipyridoxyl(1,3-propanediamine) and N,N‧-dipyridoxyl(1,2-benzenediamine). Also, the optimized geometry, assignment of the IR bands and the Natural Bond Orbital (NBO) analysis of the complexes have been computed using the density functional theory (DFT) methods. Dianionic form of the Schiff bases (L2-) acts as a tetradentate N2O2 ligand. The coordinating atoms of the Schiff base are the phenolate oxygens and imine nitrogens, which occupy four base positions of the square-pyramidal geometry of the complexes. The oxo ligand occupies the apical position of the [VO(L)] complexes. In the optimized geometry of the complexes, the coordinated Schiff bases have more planar structure than their free form. Due to the high-energy gaps, all of the complexes are predicted to be stable. Good agreement between the experimental values and the DFT-computed results supports suitability of the optimized geometries for the complexes. The investigated complexes show high catalytic activities in synthesis of the tetrahydrobenzo[b]pyrans through a three-component cyclocondensation reaction of dimedone, malononitrile and some aromatic aldehydes. The complexes catalyzed the reaction in solvent free conditions and the catalysts were found to be reusable.

Application of External Axis in Robot-Assisted Thermal Spraying

NASA Astrophysics Data System (ADS)

Deng, Sihao; Fang, Dandan; Cai, Zhenhua; Liao, Hanlin; Montavon, Ghislain

2012-12-01

Currently, industrial robots are widely used in the process of thermal spraying because of their high efficiency, security, and repeatability. Although robots are found suitable for use in industrial productions, they have some natural disadvantages because of their six-axis mechanical linkages. When a robot performs a series of stages of production, it could be hard to move from one to another because a few axes reach their limit value. For this reason, an external axis should be added to the robot system to extend the reachable space of the robots. This article concerns the application of external axis on ABB robots in thermal spraying and the different methods of off-line programming with external axis in the virtual environment. The developed software toolkit was applied to coat real workpiece with a complex geometry in atmospheric plasma spraying).

GPU-accelerated depth map generation for X-ray simulations of complex CAD geometries

NASA Astrophysics Data System (ADS)

Grandin, Robert J.; Young, Gavin; Holland, Stephen D.; Krishnamurthy, Adarsh

2018-04-01

Interactive x-ray simulations of complex computer-aided design (CAD) models can provide valuable insights for better interpretation of the defect signatures such as porosity from x-ray CT images. Generating the depth map along a particular direction for the given CAD geometry is the most compute-intensive step in x-ray simulations. We have developed a GPU-accelerated method for real-time generation of depth maps of complex CAD geometries. We preprocess complex components designed using commercial CAD systems using a custom CAD module and convert them into a fine user-defined surface tessellation. Our CAD module can be used by different simulators as well as handle complex geometries, including those that arise from complex castings and composite structures. We then make use of a parallel algorithm that runs on a graphics processing unit (GPU) to convert the finely-tessellated CAD model to a voxelized representation. The voxelized representation can enable heterogeneous modeling of the volume enclosed by the CAD model by assigning heterogeneous material properties in specific regions. The depth maps are generated from this voxelized representation with the help of a GPU-accelerated ray-casting algorithm. The GPU-accelerated ray-casting method enables interactive (> 60 frames-per-second) generation of the depth maps of complex CAD geometries. This enables arbitrarily rotation and slicing of the CAD model, leading to better interpretation of the x-ray images by the user. In addition, the depth maps can be used to aid directly in CT reconstruction algorithms.

Visuospatial Working Memory in Intuitive Geometry, and in Academic Achievement in Geometry

ERIC Educational Resources Information Center

Giofre, David; Mammarella, Irene C.; Ronconi, Lucia; Cornoldi, Cesare

2013-01-01

A study was conducted on the involvement of visuospatial working memory (VSWM) in intuitive geometry and in school performance in geometry at secondary school. A total of 166 pupils were administered: (1) six VSWM tasks, comprising simple storage and complex span tasks; and (2) the intuitive geometry task devised by Dehaene, Izard, Pica, and…

The geometry and fluid dynamics of two- and three-dimensional maneuvers of burrowing and swimming C. elegans

NASA Astrophysics Data System (ADS)

Blawzdziewicz, Jerzy; Bilbao, Alejandro; Patel, Amar; Rahman, Mizanur; Vanapalli, Siva A.

2016-11-01

In its natural environment, which is decomposing organic matter and water, C. elegans swims and burrows in 3D complex media. Yet quantitative investigations of C. elegans locomotion have been limited to 2D motion. Recently we have provided a quantitative analysis of turning maneuvers of crawling and swimming nematodes on flat surfaces and in 2D fluid layers. Here, we follow with the first full 3D description of how C. elegans moves in complex 3D environments. We show that the nematode can explore 3D space by combining 2D turns with roll maneuvers that result in rotation of the undulation plane around the direction of motion. Roll motion is achieved by superposing a 2D curvature wave with nonzero body torsion; 2D turns (within the current undulation plane) are attained by variation of undulation wave parameters. Our results indicate that while hydrodynamic interactions reduce angles of 2D turns, the roll efficiency is significantly enhanced. This hydrodynamic effect explains the rapid nematode reorientation observed in 3D swimming.

Phase geometries of two-dimensional excitable waves govern self-organized morphodynamics of amoeboid cells

PubMed Central

Taniguchi, Daisuke; Ishihara, Shuji; Oonuki, Takehiko; Honda-Kitahara, Mai; Kaneko, Kunihiko; Sawai, Satoshi

2013-01-01

In both randomly moving Dictyostelium and mammalian cells, phosphatidylinositol (3,4,5)-trisphosphate and F-actin are known to propagate as waves at the membrane and act to push out the protruding edge. To date, however, the relationship between the wave geometry and the patterns of amoeboid shape change remains elusive. Here, by using phase map analysis, we show that morphology dynamics of randomly moving Dictyostelium discoideum cells can be characterized by the number, topology, and position of spatial phase singularities, i.e., points that represent organizing centers of rotating waves. A single isolated singularity near the cellular edge induced a rotational protrusion, whereas a pair of singularities supported a symmetric extension. These singularities appeared by strong phase resetting due to de novo nucleation at the back of preexisting waves. Analysis of a theoretical model indicated excitability of the system that is governed by positive feedback from phosphatidylinositol (3,4,5)-trisphosphate to PI3-kinase activation, and we showed experimentally that this requires F-actin. Furthermore, by incorporating membrane deformation into the model, we demonstrated that geometries of competing waves explain most of the observed semiperiodic changes in amoeboid morphology. PMID:23479620

Hydrodynamic lubrication of rigid nonconformal contacts in combined rolling and normal motion

NASA Technical Reports Server (NTRS)

Ghosh, M. K.; Hamrock, B. J.; Brewe, D. E.

1984-01-01

A numerical solution to the problem of hydrodynamic lubrication of rigid point contacts with an isoviscous, incompressible lubricant was obtained. The hydrodynamic load-carrying capacity under unsteady (or dynamic) conditions arising from the combined effects of squeeze motion superposed upon the entraining motion was determined for both normal approach and separation. Superposed normal motion considerably increases net load-carrying capacity during normal approach and substantially reduces net load-carrying capacity during separation. Geometry was also found to have a significant influence on the dynamic load-carrying capacity. The ratio of dynamic to steady state load-carrying capacity increases with increasing geometry parameter for normal approach and decreases during separation. The cavitation (film rupture) boundary is also influenced significantly by the normal motion, moving downstream during approach and upstream during separation. For sufficiently high normal separation velocity the rupture boundary may even move upstream of the minimum-film-thickness position. Sixty-three cases were used to derive a functional relationship for the ratio of the dynamic to steady state load-carrying capacity in terms of the dimensionless normal velocity parameter (incorporating normal velocity, entraining velocity, and film thickness) and the geometry parameter.

Hydrodynamic lubrication of rigid nonconformal contacts in combined rolling and normal motion

NASA Technical Reports Server (NTRS)

Ghosh, M. K.; Hamrock, B. J.; Brewe, D.

1985-01-01

A numerical solution to the problem of hydrodynamic lubrication of rigid point contacts with an isoviscous, incompressible lubricant was obtained. The hydrodynamic load-carrying capacity under unsteady (or dynamic) conditions arising from the combined effects of squeeze motion superposed upon the entraining motion was determined for both normal approach and separation. Superposed normal motion considerably increases net load-carrying capacity during normal approach and substantially reduces net load-carrying capacity during separation. Geometry was also found to have a significant influence on the dynamic load-carrying capacity. The ratio of dynamic to steady state load-carrying capacity increases with increasing geometry parameter for normal approach and decreases during separation. The cavitation (film rupture) boundary is also influenced significantly by the normal motion, moving downstream during approach and upstream during separation. For sufficiently high normal separation velocity the rupture boundary may even move upstream of the minimum-film-thickness position. Sixty-three cases were used to derive a functional relationship for the ratio of the dynamic to steady state load-carrying capacity in terms of the dimensionless normal velocity parameter (incorporating normal velocity, entraining velocity, and film thickness) and the geometry parameter.

Numerical Simulation of Flow Through an Artificial Heart

NASA Technical Reports Server (NTRS)

Rogers, Stuart E.; Kutler, Paul; Kwak, Dochan; Kiris, Cetin

1989-01-01

A solution procedure was developed that solves the unsteady, incompressible Navier-Stokes equations, and was used to numerically simulate viscous incompressible flow through a model of the Pennsylvania State artificial heart. The solution algorithm is based on the artificial compressibility method, and uses flux-difference splitting to upwind the convective terms; a line-relaxation scheme is used to solve the equations. The time-accuracy of the method is obtained by iteratively solving the equations at each physical time step. The artificial heart geometry involves a piston-type action with a moving solid wall. A single H-grid is fit inside the heart chamber. The grid is continuously compressed and expanded with a constant number of grid points to accommodate the moving piston. The computational domain ends at the valve openings where nonreflective boundary conditions based on the method of characteristics are applied. Although a number of simplifing assumptions were made regarding the geometry, the computational results agreed reasonably well with an experimental picture. The computer time requirements for this flow simulation, however, are quite extensive. Computational study of this type of geometry would benefit greatly from improvements in computer hardware speed and algorithm efficiency enhancements.

The Effect of the Three-Dimensional Geometry of Cargo on the Detection of Radioactive Sources in Cargo Containers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schweppe, John E.; Ely, James H.; McConn, Ronald J.

Pacific Northwest National Laboratory has developed computer models to simulate the screening of vehicles and cargo with radiation portal monitors for the presence of illegitimate radioactive material. In addition, selected measurements have been conducted to validate the models. An important consideration in the modeling of realistic scenarios is the influence of the three-dimensional geometry of the cargo on the measured signature. This is particularly important for scenarios where the source and detector move with respect to each other. Two cases of the influence of the three-dimensional geometry of the cargo on the measured radiation signature are analyzed. In the first,more » measurements show that spectral data collected from moving sources so as to maximize the gross-counting signal-to-noise ratio has minimal spectral distortion, so that the spectral data can be summed over this time interval. In the second, modeling demonstrates that the ability to detect radioactive sources at all locations in a container full of cargo scales approximately linearly with the vertical height of the detector, suggesting that detectors should be approximately the same height as the container they scan.« less

Molecular orbital study of some eight-coordinate sulfur chelate complexes of molybdenum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perkins, P.G.; Schultz, F.A.

1983-03-30

A number of molybdenum complexes involving the formal oxidation states Mo(IV) and Mo(V) have been studied by a self-consistent-field molecular orbital technique. All the complexes were of dodecahedral geometry and had eight sulfurs chelated to the central metal atom. In all, a series of five tetrakis complexes was studied, including the ligands dithiocarbamate (dtc), thioxanthate (txn), 1,1-dicyano-2,2-ethylenedithiolate (i-mnt), 1-cyano-1-carbethoxy-2,2-ethylenedithiolate (ced), and 1,1-dicarbethoxy-2,2-ethylenedithiolate (ded). The 4d orbitals were included on molybdenum, and the empty 3d levels on all sulfur atoms. The results show that the highest occupied molecular orbital in each case has over 90% metal d/sub xy/ character. Further, themore » energy of this orbital is linearly related to the reversible half-wave potentials for Mo(IV) ..-->.. Mo(V) and Mo(V) ..-->.. Mo(VI) oxidations of the complexes. A further irreversible oxidation observed experimentally also is closely related to the calculated energy levels. Relationships between the calculated results and Mo 3d/sub 5///sub 2/ X-ray photoelectron binding energies, EPR parameters, and charge-transfer absorption energies are discussed. Electrochemical and spectroscopic properties of these MoS/sub 8/ complexes can be understood in terms of a manifold of orbital energies that retain approximately constant spacings between one another and that move up or down in absolute energy in response to the charge donated or withdrawn by the ligands.« less

Peculiarities of field penetration in the presence of cross-flux interaction

NASA Astrophysics Data System (ADS)

Berseth, V.; Buzdin, A. I.; Indenbom, M. V.; Benoit, W.

1996-02-01

The attractive core interaction between two orthogonal vortex lattices in alayered superconductor is calculated. When one of these lattices is moving, this interaction gives rise to a drag force acting on the other one. Considering a moving in-plane flux lattice, the effect of the drag force on the perpendicular flux is modelled through a modification of the bulk critical current for this field component. The new critical current depends on the direction of motion of both parallel and perpendicular vortices. The results are derived within the critical-state model for the infinite slab and for the thin strip. For this latter geometry, computations are made with the help of a new numerical method simulating flux penetration in the critical state. The new predicted qualitative phenomena (like the formation of a vortex-free region between two zones of opposite flux in the flat geometry) can be directly verified by the magneto-optic technique.

Performance characterization of complex fuel port geometries for hybrid rocket fuel grains

NASA Astrophysics Data System (ADS)

Bath, Andrew

This research investigated the 3D printing and burning of fuel grains with complex geometry and the development of software capable of modeling and predicting the regression of a cross-section of these complex fuel grains. The software developed did predict the geometry to a fair degree of accuracy, especially when enhanced corner rounding was turned on. The model does have some drawbacks, notably being relatively slow, and does not perfectly predict the regression. If corner rounding is turned off, however, the model does become much faster; although less accurate, this method does still predict a relatively accurate resulting burn geometry, and is fast enough to be used for performance-tuning or genetic algorithms. In addition to the modeling method, preliminary investigations into the burning behavior of fuel grains with a helical flow path were performed. The helix fuel grains have a regression rate of nearly 3 times that of any other fuel grain geometry, primarily due to the enhancement of the friction coefficient between the flow and flow path.

Turbomachinery computational fluid dynamics: asymptotes and paradigm shifts.

PubMed

Dawes, W N

2007-10-15

This paper reviews the development of computational fluid dynamics (CFD) specifically for turbomachinery simulations and with a particular focus on application to problems with complex geometry. The review is structured by considering this development as a series of paradigm shifts, followed by asymptotes. The original S1-S2 blade-blade-throughflow model is briefly described, followed by the development of two-dimensional then three-dimensional blade-blade analysis. This in turn evolved from inviscid to viscous analysis and then from steady to unsteady flow simulations. This development trajectory led over a surprisingly small number of years to an accepted approach-a 'CFD orthodoxy'. A very important current area of intense interest and activity in turbomachinery simulation is in accounting for real geometry effects, not just in the secondary air and turbine cooling systems but also associated with the primary path. The requirements here are threefold: capturing and representing these geometries in a computer model; making rapid design changes to these complex geometries; and managing the very large associated computational models on PC clusters. Accordingly, the challenges in the application of the current CFD orthodoxy to complex geometries are described in some detail. The main aim of this paper is to argue that the current CFD orthodoxy is on a new asymptote and is not in fact suited for application to complex geometries and that a paradigm shift must be sought. In particular, the new paradigm must be geometry centric and inherently parallel without serial bottlenecks. The main contribution of this paper is to describe such a potential paradigm shift, inspired by the animation industry, based on a fundamental shift in perspective from explicit to implicit geometry and then illustrate this with a number of applications to turbomachinery.

Optical probe

DOEpatents

Hencken, Kenneth; Flower, William L.

1999-01-01

A compact optical probe is disclosed particularly useful for analysis of emissions in industrial environments. The instant invention provides a geometry for optically-based measurements that allows all optical components (source, detector, rely optics, etc.) to be located in proximity to one another. The geometry of the probe disclosed herein provides a means for making optical measurements in environments where it is difficult and/or expensive to gain access to the vicinity of a flow stream to be measured. Significantly, the lens geometry of the optical probe allows the analysis location within a flow stream being monitored to be moved while maintaining optical alignment of all components even when the optical probe is focused on a plurality of different analysis points within the flow stream.

Soft lubrication: The elastohydrodynamics of nonconforming and conforming contacts

NASA Astrophysics Data System (ADS)

Skotheim, J. M.; Mahadevan, L.

2005-09-01

We study the lubrication of fluid-immersed soft interfaces and show that elastic deformation couples tangential and normal forces and thus generates lift. We consider materials that deform easily, due to either geometry (e.g., a shell) or constitutive properties (e.g., a gel or a rubber), so that the effects of pressure and temperature on the fluid properties may be neglected. Four different system geometries are considered: a rigid cylinder moving parallel to a soft layer coating a rigid substrate; a soft cylinder moving parallel to a rigid substrate; a cylindrical shell moving parallel to a rigid substrate; and finally a cylindrical conforming journal bearing coated with a thin soft layer. In addition, for the particular case of a soft layer coating a rigid substrate, we consider both elastic and poroelastic material responses. For all these cases, we find the same generic behavior: there is an optimal combination of geometric and material parameters that maximizes the dimensionless normal force as a function of the softness parameter η =hydrodynamicpressure/elasticstiffness=surfacedeflection/gapthickness, which characterizes the fluid-induced deformation of the interface. The corresponding cases for a spherical slider are treated using scaling concepts.

Development and Application of Agglomerated Multigrid Methods for Complex Geometries

NASA Technical Reports Server (NTRS)

Nishikawa, Hiroaki; Diskin, Boris; Thomas, James L.

2010-01-01

We report progress in the development of agglomerated multigrid techniques for fully un- structured grids in three dimensions, building upon two previous studies focused on efficiently solving a model diffusion equation. We demonstrate a robust fully-coarsened agglomerated multigrid technique for 3D complex geometries, incorporating the following key developments: consistent and stable coarse-grid discretizations, a hierarchical agglomeration scheme, and line-agglomeration/relaxation using prismatic-cell discretizations in the highly-stretched grid regions. A signi cant speed-up in computer time is demonstrated for a model diffusion problem, the Euler equations, and the Reynolds-averaged Navier-Stokes equations for 3D realistic complex geometries.

Identification of different coordination geometries by XAFS in copper(II) complexes with trimesic acid

NASA Astrophysics Data System (ADS)

Gaur, A.; Klysubun, W.; Soni, Balram; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

2016-10-01

X-ray absorption spectroscopy (XAS) is very useful in revealing the information about geometric and electronic structure of a transition-metal absorber and thus commonly used for determination of metal-ligand coordination. But XAFS analysis becomes difficult if differently coordinated metal centers are present in a system. In the present investigation, existence of distinct coordination geometries around metal centres have been studied by XAFS in a series of trimesic acid Cu(II) complexes. The complexes studied are: Cu3(tma)2(im)6 8H2O (1), Cu3(tma)2(mim)6 17H2O (2), Cu3(tma)2(tmen)3 8.5H2O (3), Cu3(tma) (pmd)3 6H2O (ClO4)3 (4) and Cu3(tma)2 3H2O (5). These complexes have not only Cu metal centres with different coordination but in complexes 1-3, there are multiple coordination geometries present around Cu centres. Using XANES spectra, different coordination geometries present in these complexes have been identified. The variation observed in the pre-edge features and edge features have been correlated with the distortion of the specific coordination environment around Cu centres in the complexes. XANES spectra have been calculated for the distinct metal centres present in the complexes by employing ab-initio calculations. These individual spectra have been used to resolve the spectral contribution of the Cu centres to the particular XANES features exhibited by the experimental spectra of the multinuclear complexes. Also, the variation in the 4p density of states have been calculated for the different Cu centres and then correlated with the features originated from corresponding coordination of Cu. Thus, these spectral features have been successfully utilized to detect the presence of the discrete metal centres in a system. The inferences about the coordination geometry have been supported by EXAFS analysis which has been used to determine the structural parameters for these complexes.

Directing folding pathways for multi-component DNA origami nanostructures with complex topology

NASA Astrophysics Data System (ADS)

Marras, A. E.; Zhou, L.; Kolliopoulos, V.; Su, H.-J.; Castro, C. E.

2016-05-01

Molecular self-assembly has become a well-established technique to design complex nanostructures and hierarchical mesoscale assemblies. The typical approach is to design binding complementarity into nucleotide or amino acid sequences to achieve the desired final geometry. However, with an increasing interest in dynamic nanodevices, the need to design structures with motion has necessitated the development of multi-component structures. While this has been achieved through hierarchical assembly of similar structural units, here we focus on the assembly of topologically complex structures, specifically with concentric components, where post-folding assembly is not feasible. We exploit the ability to direct folding pathways to program the sequence of assembly and present a novel approach of designing the strand topology of intermediate folding states to program the topology of the final structure, in this case a DNA origami slider structure that functions much like a piston-cylinder assembly in an engine. The ability to program the sequence and control orientation and topology of multi-component DNA origami nanostructures provides a foundation for a new class of structures with internal and external moving parts and complex scaffold topology. Furthermore, this work provides critical insight to guide the design of intermediate states along a DNA origami folding pathway and to further understand the details of DNA origami self-assembly to more broadly control folding states and landscapes.

The Co(II), Ni(II) and Cu(II) complexes with herbicide 2,4-dichlorophenoxyacetic acid - Synthesis and structural studies

NASA Astrophysics Data System (ADS)

Drzewiecka-Antonik, Aleksandra; Ferenc, Wiesława; Wolska, Anna; Klepka, Marcin T.; Cristóvão, Beata; Sarzyński, Jan; Rejmak, Paweł; Osypiuk, Dariusz

2017-01-01

The Co(II), Ni(II) and Cu(II) complexes with herbicide 2,4-dichlorophenoxyacetic acid (2,4-D) were synthesized and structurally characterized. The geometry of metal-ligand interaction was refined using XAFS and DFT studies. The Co(2,4-D)2·6H2O and Ni(2,4-D)2·4H2O complexes have octahedral geometry with two carboxylate groups of 2,4-D anions and four water molecules in the coordination sphere. The square planar geometry around metal cations formed by the carboxylate groups from two monodentate ligands and two water molecules, is observed for Cu(2,4-D)2·4H2O complex. In the recrystallized Ni(II) complex dinuclear 'Chinese lantern' structures with bridging carboxylate groups of 2,4-D were observed.

Purcell effect for active tuning of light scattering from semiconductor optical antennas.

PubMed

Holsteen, Aaron L; Raza, Søren; Fan, Pengyu; Kik, Pieter G; Brongersma, Mark L

2017-12-15

Subwavelength, high-refractive index semiconductor nanostructures support optical resonances that endow them with valuable antenna functions. Control over the intrinsic properties, including their complex refractive index, size, and geometry, has been used to manipulate fundamental light absorption, scattering, and emission processes in nanostructured optoelectronic devices. In this study, we harness the electric and magnetic resonances of such antennas to achieve a very strong dependence of the optical properties on the external environment. Specifically, we illustrate how the resonant scattering wavelength of single silicon nanowires is tunable across the entire visible spectrum by simply moving the height of the nanowires above a metallic mirror. We apply this concept by using a nanoelectromechanical platform to demonstrate active tuning. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Exact Solution for Capillary Bridges Properties by Shooting Method

NASA Astrophysics Data System (ADS)

Qiang-Nian, Li; Jia-Qi, Zhang; Feng-Xi, Zhou

2017-04-01

The investigation of liquid bridge force acting between wet particles has great significance in many fields. In this article, the exact solution of capillary force between two unequal-sized spherical particles is investigated. Firstly, The Young-Laplace equation with moving boundary is converted into a set of ordinary differential equations with two fix point boundary using variable substitution technique, in which the gravity effects have been neglected. The geometry of the liquid bridge between two particles is solved by shooting method. After that, the gorge method is applied to calculate the capillary-bridge force that is consists of contributions from the capillary suction and surface tension. Finally, the effect of various parameters including distance between two spheres, radii of spheres, and contact angles on the capillary force are investigated. It is shown that the presented approach is an efficient and accurate algorithm for capillary force between two particles in complex situations.

OSIRIS - an object-oriented parallel 3D PIC code for modeling laser and particle beam-plasma interaction

NASA Astrophysics Data System (ADS)

Hemker, Roy

1999-11-01

The advances in computational speed make it now possible to do full 3D PIC simulations of laser plasma and beam plasma interactions, but at the same time the increased complexity of these problems makes it necessary to apply modern approaches like object oriented programming to the development of simulation codes. We report here on our progress in developing an object oriented parallel 3D PIC code using Fortran 90. In its current state the code contains algorithms for 1D, 2D, and 3D simulations in cartesian coordinates and for 2D cylindrically-symmetric geometry. For all of these algorithms the code allows for a moving simulation window and arbitrary domain decomposition for any number of dimensions. Recent 3D simulation results on the propagation of intense laser and electron beams through plasmas will be presented.

Chaotic mixing by microswimmers moving on quasiperiodic orbits

NASA Astrophysics Data System (ADS)

Jalali, Mir Abbas; Khoshnood, Atefeh; Alam, Mohammad-Reza

2015-11-01

Life on the Earth is strongly dependent upon mixing across a vast range of scales. For example, mixing distributes nutrients for microorganisms in aquatic environments, and balances the spatial energy distribution in the oceans and the atmosphere. From industrial point of view, mixing is essential in many microfluidic processes and lab-on-a-chip operations, polymer engineering, pharmaceutics, food engineering, petroleum engineering, and biotechnology. Efficient mixing, typically characterized by chaotic advection, is hard to achieve in low Reynolds number conditions because of the linear nature of the Stokes equation that governs the motion. We report the first demonstration of chaotic mixing induced by a microswimmer that strokes on quasiperiodic orbits with multi-loop turning paths. Our findings can be utilized to understand the interactions of microorganisms with their environments, and to design autonomous robotic mixers that can sweep and mix an entire volume of complex-geometry containers.

Instructor Middle Years. September 1993.

ERIC Educational Resources Information Center

Miller, Robin; And Others

1993-01-01

This "Instructor" Supplement on middle school education, presents articles on new research and materials, adolescent development, reasons for teaching middle school, moving toward a middle school curriculum, peer teaching, multimedia software, murder mysteries, ancient China, geometry, teamwork, descriptive writing, literature, problem solving,…

A strategy for the study of the interactions between metal-dyes and proteins with QM/MM approaches: the case of iron-gall dye.

PubMed

Jurinovich, Sandro; Degano, Ilaria; Mennucci, Benedetta

2012-11-15

Historical textiles dyed with tannins usually show more extended degradation than fabrics dyed with other coloring materials. In order to shed light on this phenomenon we investigated the molecular interactions between tannin dyes and protein-based textiles using quantum-mechanical tools. In particular, we focused on the iron-gall complex with a fragment of α-helix wool keratin. We developed a step by step protocol which moves from the simplest ternary complexes with free amino acids (all treated quantum mechanically) to the more realistic system of the polypeptide fragment (treated at QM/MM level), passing through an intermediate model of interacting sites to evaluate the local environmental effects. The analysis of the interactions between the iron-gall complexes and free amino acids allowed us to identify possible coordination modes as well as determining their relative geometries. However, we also showed that only with the addition of the proteic environment a detailed picture of the interaction sites and binding modes can be achieved. An important role is in fact played by the microenvironment which can favor specific coordinations with respect to others due to both structural and electronic changes in the possible interaction sites.

Megaliths and Neolithic astronomy in southern Egypt

NASA Astrophysics Data System (ADS)

Malville, J. Mckim; Wendorf, Fred; Mazar, Ali A.; Schild, Romauld

1998-04-01

The Sahara west of the Nile in southern Egypt was hyperarid and unoccupied during most of the Late Pleistocene epoch. About 11,000 years ago the summer monsoons of central Africa moved into Egypt, and temporary lakes or playas were formed. The Nabta Playa depression, which is one of the largest in southern Egypt, is a kidney-shaped basin of roughly 10km by 7km in area. We report the discovery of megalithic alignments and stone circles next to locations of Middle and Late Neolithic communities at Nabta, which suggest the early development of a complex society. The southward shift of the monsoons in the Late Neolithic age rendered the area once again hyperarid and uninhabitable some 4,800 radiocarbon years before the present (years BP). This well-determined date establishes that the ceremonial complex of Nabta, which has alignments to cardinal and solstitial directions, was a very early megalithic expression of ideology and astronomy. Five megalithic alignments within the playa deposits radiate outwards from megalithic structures, which may have been funerary structures. The organization of the megaliths suggests a symbolic geometry that integrated death, water, and the Sun. An exodus from the Nubian Desert at ~4,800 years BP may have stimulated social differentiation and cultural complexity in predynastic Upper Egypt.

The Cause of the Cauca, Colombia, Cluster of Intermediate-Depth Earthquakes From Earthquake Relocation and Focal Mechanisms

NASA Astrophysics Data System (ADS)

Warren, L. M.; Chang, Y.; Prieto, G. A.

2016-12-01

In subducting slabs, a high seismicity rate in a concentrated volume (an earthquake cluster) is often associated with geometric complexities such as slab detachment, tearing, or contortions. The intermediate-depth Cauca, Colombia, cluster (3.5°N-5.5°N), in contrast, appears to be located in a slab without such complexities. However, previous constraints on the slab geometry are based on global data. We use regional data to investigate the cause of the Cauca cluster by estimating its geometry from earthquake relocations and stress regime from focal mechanism calculations and stress inversions. The Cauca segment of the Nazca Plate is characterized by relatively sparse seismicity away from the cluster and a narrow volcanic arc. To the northeast of the Cauca cluster, six active volcanoes are concentrated within an 80-km along-trench distance and are isolated 180 km from the rest of the northern Andes volcanic arc. The Colombian National Seismic Network, from Jan 2010 to Mar 2014, reports 433 earthquakes in the cluster at depths of 50-200 km with local magnitudes ranging from 2.0-4.7. Earthquake relocations show a continuous 20-km-thick seismic zone dipping at 33°-43°, with the angle increasing to the south. In addition, earthquakes locate in two columns that extend normal to the slab and into the mantle wedge. The focal mechanisms show various types, including down-dip extension, strike slip, and trench-parallel compression, but are consistent with a predominantly down-dip extensional stress field. The maximum and intermediate stress axes are interchangeable because of their similar magnitudes. The down-dip extensional stress regime may expel dehydrated fluid from the slab into the mantle wedge. As the fluid moves through the mantle wedge, it may generate hydrofractures and the observed mantle-wedge earthquakes. The fluid in the mantle wedge may be transported along the trench, from the steeper southern section to the more shallowly-dipping northern section, and cause the volcanoes to the northeast of the Cauca cluster. The Cauca cluster, unlike most clusters, is not associated with a complex slab geometry. Instead, its high seismicity rate may result from a high dehydration rate in the slab and conditions that promote fluid migration into and earthquakes in the mantle wedge.

Towards Flange-to-Flange Turbopump Simulations for Liquid Rocket Engines

NASA Technical Reports Server (NTRS)

Kiris, Cetin; Williams, Robert

2000-01-01

The primary objective of this research is to support the design of liquid rocket systems for the Advanced Space Transportation System. Since the space launch systems in the near future are likely to rely on liquid rocket engines, increasing the efficiency and reliability of the engine components is an important task. One of the major problems in the liquid rocket engine is to understand fluid dynamics of fuel and oxidizer flows from the fuel tank to plume. Understanding the flow through the entire turbopump geometry through numerical simulation will be of significant value toward design. This will help to improve safety of future space missions. One of the milestones of this effort is to develop, apply and demonstrate the capability and accuracy of 3D CFD methods as efficient design analysis tools on high performance computer platforms. The development of the MPI and MLP versions of the INS3D code is currently underway. The serial version of INS3D code is a multidimensional incompressible Navier-Stokes solver based on overset grid technology. INS3D-MPI is based on the explicit massage-passing interface across processors and is primarily suited for distributed memory systems. INS3D-MLP is based on multi-level parallel method and is suitable for distributed-shared memory systems. For the entire turbopump simulations, moving boundary capability and an efficient time-accurate integration methods are build in the flow solver. To handle the geometric complexity and moving boundary problems, overset grid scheme is incorporated with the solver that new connectivity data will be obtained at each time step. The Chimera overlapped grid scheme allows subdomains move relative to each other, and provides a great flexibility when the boundary movement creates large displacements. The performance of the two time integration schemes for time-accurate computations is investigated. For an unsteady flow which requires small physical time step, the pressure projection method was found to be computationally efficient since it does not require any subiterations procedure. It was observed that the artificial compressibility method requires a fast convergence scheme at each physical time step in order to satisfy incompressibility condition. This was obtained by using a GMRES-ILU(0) solver in our computations. When a line-relaxation scheme was used, the time accuracy was degraded and time-accurate computations became very expensive. The current geometry for the LOX boost turbopump has various rotating and stationary components, such as inducer, stators, kicker, hydrolic turbine, where the flow is extremely unsteady. Figure 1 shows the geometry and computed surface pressure of the inducer. The inducer and the hydrolic turbine rotate in different rotational speed.

Synthesis of mononuclear copper(II) complexes of N3O2 and N4O2 donors containing Schiff base ligands: Theoretical and biological observations

NASA Astrophysics Data System (ADS)

Mancha Madha, K.; Gurumoorthy, P.; Arul Antony, S.; Ramalakshmi, N.

2017-09-01

A new series of six mononuclear copper(II) complexes were synthesized from N3O2 and N4O2 donors containing Schiff base ligands, and characterized by various spectral methods. The geometry of the complexes was determined using UV-Vis, EPR and DFT calculations. The complexes of N3O2 donors (1-3) adopted square pyramidal geometry and the remaining complexes of N4O2 donors (4-6) show distorted octahedral geometry around copper(II) nuclei. Redox properties of the complexes show a one-electron irreversible reduction process in the cathodic potential (Epc) region from -0.74 to -0.98 V. The complexes show potent antioxidant activity against DPPH radicals. Molecular docking studies of complexes showed σ-π interaction, hydrogen bonding, electrostatic and van der Waals interactions with VEGFR2 kinase receptor. In vitro cytotoxicity of the complexes was tested against human breast cancer (MDA-MB-231) cell lines and one normal human dermal fibroblasts (NHDF) cell line through MTT assay. The morphological assessment data obtained by Hoechst 33258 and AO/EB staining revealed that the complexes induce apoptosis pathway of cell death.

Synthesis, characterization and biological activity of complexes of 2-hydroxy-3,5-dimethylacetophenoneoxime (HDMAOX) with copper(II), cobalt(II), nickel(II) and palladium(II)

NASA Astrophysics Data System (ADS)

Singh, Bibhesh K.; Jetley, Umesh K.; Sharma, Rakesh K.; Garg, Bhagwan S.

2007-09-01

A new series of complexes of 2-hydroxy-3,5-dimethyl acetophenone oxime (HDMAOX) with Cu(II), Co(II), Ni(II) and Pd(II) have been prepared and characterized by different physical techniques. Infrared spectra of the complexes indicate deprotonation and coordination of the phenolic OH. It also confirms that nitrogen atom of the oximino group contributes to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square planar geometry for Cu(II), Ni(II) and Pd(II) complexes and tetrahedral geometry for Co(II) complex. The elemental analyses and mass spectral data have justified the ML 2 composition of complexes. Kinetic and thermodynamic parameters were computed from the thermal decomposition data using Coats and Redfern method. The geometry of the metal complexes has been optimized with the help of molecular modeling. The free ligand (HDMAOX) and its metal complexes have been tested in vitro against Alternarie alternate, Aspergillus flavus, Aspergillus nidulans and Aspergillus niger fungi and Streptococcus, Staph, Staphylococcus and Escherchia coli bacteria in order to assess their antimicrobial potential. The results indicate that the ligand and its metal complexes possess antimicrobial properties.

Synthesis, characterization and biological activity of complexes of 2-hydroxy-3,5-dimethylacetophenoneoxime (HDMAOX) with copper(II), cobalt(II), nickel(II) and palladium(II).

PubMed

Singh, Bibhesh K; Jetley, Umesh K; Sharma, Rakesh K; Garg, Bhagwan S

2007-09-01

A new series of complexes of 2-hydroxy-3,5-dimethyl acetophenone oxime (HDMAOX) with Cu(II), Co(II), Ni(II) and Pd(II) have been prepared and characterized by different physical techniques. Infrared spectra of the complexes indicate deprotonation and coordination of the phenolic OH. It also confirms that nitrogen atom of the oximino group contributes to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square planar geometry for Cu(II), Ni(II) and Pd(II) complexes and tetrahedral geometry for Co(II) complex. The elemental analyses and mass spectral data have justified the ML(2) composition of complexes. Kinetic and thermodynamic parameters were computed from the thermal decomposition data using Coats and Redfern method. The geometry of the metal complexes has been optimized with the help of molecular modeling. The free ligand (HDMAOX) and its metal complexes have been tested in vitro against Alternarie alternate, Aspergillus flavus, Aspergillus nidulans and Aspergillus niger fungi and Streptococcus, Staph, Staphylococcus and Escherchia coli bacteria in order to assess their antimicrobial potential. The results indicate that the ligand and its metal complexes possess antimicrobial properties.

Simulation Study of CO2-EOR in Tight Oil Reservoirs with Complex Fracture Geometries

PubMed Central

Zuloaga-Molero, Pavel; Yu, Wei; Xu, Yifei; Sepehrnoori, Kamy; Li, Baozhen

2016-01-01

The recent development of tight oil reservoirs has led to an increase in oil production in the past several years due to the progress in horizontal drilling and hydraulic fracturing. However, the expected oil recovery factor from these reservoirs is still very low. CO2-based enhanced oil recovery is a suitable solution to improve the recovery. One challenge of the estimation of the recovery is to properly model complex hydraulic fracture geometries which are often assumed to be planar due to the limitation of local grid refinement approach. More flexible methods like the use of unstructured grids can significantly increase the computational demand. In this study, we introduce an efficient methodology of the embedded discrete fracture model to explicitly model complex fracture geometries. We build a compositional reservoir model to investigate the effects of complex fracture geometries on performance of CO2 Huff-n-Puff and CO2 continuous injection. The results confirm that the appropriate modelling of the fracture geometry plays a critical role in the estimation of the incremental oil recovery. This study also provides new insights into the understanding of the impacts of CO2 molecular diffusion, reservoir permeability, and natural fractures on the performance of CO2-EOR processes in tight oil reservoirs. PMID:27628131

The Spectral Web of stationary plasma equilibria. I. General theory

NASA Astrophysics Data System (ADS)

Goedbloed, J. P.

2018-03-01

A new approach to computing the complex spectrum of magnetohydrodynamic waves and instabilities of moving plasmas is presented. It is based on the concept of the Spectral Web, exploiting the self-adjointness of the generalized Frieman-Rotenberg force operator, G, and the Doppler-Coriolis gradient operator parallel to the velocity, U. The problem is solved with an open boundary, where the complementary energy Wcom represents the amount of energy to be delivered to or extracted from the system to maintain a harmonic time-dependence. The eigenvalues are connected by a system of curves in the complex ω-plane, the solution path and the conjugate path (where Wcom is real or imaginary) which together constitute the Spectral Web, having a characteristic geometry that has to be clarified yet, but that has a deep physical significance. It is obtained by straightforward contour plotting of the two paths. The complex eigenvalues, within a specified rectangle of the complex ω-plane, are found by fast, reliable, and accurate iterations. Real and complex oscillation theorems, replacing the familiar tool of counting nodes of eigenfunctions, provide an associated mechanism of mode tracking along the two paths. The Spectral Web method is generalized to toroidal systems and extended to include a resistive wall by accounting for the dissipation in such a wall. It is applied in an accompanying Paper II [J. P. Goedbloed, Phys. Plasmas 25, 032110 (2018).] to a multitude of the basic fundamental instabilities operating in cylindrical plasmas.

3D Printer-Manufacturing of Complex Geometry Elements

NASA Astrophysics Data System (ADS)

Ciubară, A.; Burlea, Ș L.; Axinte, M.; Cimpoeșu, R.; Chicet, D. L.; Manole, V.; Burlea, G.; Cimpoeșu, N.

2018-06-01

In the last 5-10 years the process of 3D printing has an incredible advanced in all the fields with a tremendous number of applications. Plastic materials exhibit highly beneficial mechanical properties while delivering complex designs impossible to achieve using conventional manufacturing. In this article the printing process (filling degree, time, complications and details finesse) of few plastic elements with complicated geometry and fine details was analyzed and comment. 3D printing offers many of the thermoplastics and industrial materials found in conventional manufacturing. The advantages and disadvantages of 3D printing for plastic parts are discussed. Time of production for an element with complex geometry, from the design to final cut, was evaluated.

Applications of Space-Filling-Curves to Cartesian Methods for CFD

NASA Technical Reports Server (NTRS)

Aftosmis, Michael J.; Berger, Marsha J.; Murman, Scott M.

2003-01-01

The proposed paper presents a variety novel uses of Space-Filling-Curves (SFCs) for Cartesian mesh methods in 0. While these techniques will be demonstrated using non-body-fitted Cartesian meshes, most are applicable on general body-fitted meshes -both structured and unstructured. We demonstrate the use of single O(N log N) SFC-based reordering to produce single-pass (O(N)) algorithms for mesh partitioning, multigrid coarsening, and inter-mesh interpolation. The intermesh interpolation operator has many practical applications including warm starts on modified geometry, or as an inter-grid transfer operator on remeshed regions in moving-body simulations. Exploiting the compact construction of these operators, we further show that these algorithms are highly amenable to parallelization. Examples using the SFC-based mesh partitioner show nearly linear speedup to 512 CPUs even when using multigrid as a smoother. Partition statistics are presented showing that the SFC partitions are, on-average, within 10% of ideal even with only around 50,000 cells in each subdomain. The inter-mesh interpolation operator also has linear asymptotic complexity and can be used to map a solution with N unknowns to another mesh with M unknowns with O(max(M,N)) operations. This capability is demonstrated both on moving-body simulations and in mapping solutions to perturbed meshes for finite-difference-based gradient design methods.

Predicting protein complex geometries with a neural network.

PubMed

Chae, Myong-Ho; Krull, Florian; Lorenzen, Stephan; Knapp, Ernst-Walter

2010-03-01

A major challenge of the protein docking problem is to define scoring functions that can distinguish near-native protein complex geometries from a large number of non-native geometries (decoys) generated with noncomplexed protein structures (unbound docking). In this study, we have constructed a neural network that employs the information from atom-pair distance distributions of a large number of decoys to predict protein complex geometries. We found that docking prediction can be significantly improved using two different types of polar hydrogen atoms. To train the neural network, 2000 near-native decoys of even distance distribution were used for each of the 185 considered protein complexes. The neural network normalizes the information from different protein complexes using an additional protein complex identity input neuron for each complex. The parameters of the neural network were determined such that they mimic a scoring funnel in the neighborhood of the native complex structure. The neural network approach avoids the reference state problem, which occurs in deriving knowledge-based energy functions for scoring. We show that a distance-dependent atom pair potential performs much better than a simple atom-pair contact potential. We have compared the performance of our scoring function with other empirical and knowledge-based scoring functions such as ZDOCK 3.0, ZRANK, ITScore-PP, EMPIRE, and RosettaDock. In spite of the simplicity of the method and its functional form, our neural network-based scoring function achieves a reasonable performance in rigid-body unbound docking of proteins. Proteins 2010. (c) 2009 Wiley-Liss, Inc.

Tips on Creating Complex Geometry Using Solid Modeling Software

ERIC Educational Resources Information Center

Gow, George

2008-01-01

Three-dimensional computer-aided drafting (CAD) software, sometimes referred to as "solid modeling" software, is easy to learn, fun to use, and becoming the standard in industry. However, many users have difficulty creating complex geometry with the solid modeling software. And the problem is not entirely a student problem. Even some teachers and…

76 FR 48053 - Consumer Registration of Durable Infant or Toddler Products

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-08

...://www.regulations.gov . Do not submit confidential business information, trade secret information, or... geometry of the registration forms, which have four surfaces (front, back, top, and bottom), we believe..., moving logically from the front top of the form [[Page 48054

Giant slip lengths of a simple fluid at vibrating solid interfaces

NASA Astrophysics Data System (ADS)

Drezet, Aurélien; Siria, Alessandro; Huant, Serge; Chevrier, Joël

2010-04-01

It has been shown recently [A. Siria, A. Drezet, F. Marchi, F. Comin, S. Huant, and J. Chevrier, Phys. Rev. Lett. 102, 254503 (2009)] that in the plane-plane configuration, a mechanical resonator vibrating close to a rigid wall in a simple fluid can be overdamped to a frozen regime. Here, by solving analytically the Navier-Stokes equations with partial slip boundary conditions at the solid-fluid interface, we develop a theoretical approach justifying and extending these earlier findings. We show in particular that in the perfect-slip regime, the abovementioned results are, in the plane-plane configuration, very general and robust with respect to lever geometry considerations. We compare the results to those obtained previously for the sphere moving perpendicularly and close to a plane in a simple fluid and discuss in more details the differences concerning the dependence of the friction forces with the gap distance separating the moving object (i.e., plane or sphere) from the fixed plane. We show that the plane-plane geometry is more sensitive than the sphere-plane geometry for the measurement of slippage coefficients. Finally, we show that the submicron fluidic effect reported in the reference above, and discussed further in the present work, can have dramatic implications in the design of nanoelectromechanical systems.

Giant slip lengths of a simple fluid at vibrating solid interfaces.

PubMed

Drezet, Aurélien; Siria, Alessandro; Huant, Serge; Chevrier, Joël

2010-04-01

It has been shown recently [A. Siria, A. Drezet, F. Marchi, F. Comin, S. Huant, and J. Chevrier, Phys. Rev. Lett. 102, 254503 (2009)] that in the plane-plane configuration, a mechanical resonator vibrating close to a rigid wall in a simple fluid can be overdamped to a frozen regime. Here, by solving analytically the Navier-Stokes equations with partial slip boundary conditions at the solid-fluid interface, we develop a theoretical approach justifying and extending these earlier findings. We show in particular that in the perfect-slip regime, the abovementioned results are, in the plane-plane configuration, very general and robust with respect to lever geometry considerations. We compare the results to those obtained previously for the sphere moving perpendicularly and close to a plane in a simple fluid and discuss in more details the differences concerning the dependence of the friction forces with the gap distance separating the moving object (i.e., plane or sphere) from the fixed plane. We show that the plane-plane geometry is more sensitive than the sphere-plane geometry for the measurement of slippage coefficients. Finally, we show that the submicron fluidic effect reported in the reference above, and discussed further in the present work, can have dramatic implications in the design of nanoelectromechanical systems.

Simplified Approach to Predicting Rough Surface Transition

NASA Technical Reports Server (NTRS)

Boyle, Robert J.; Stripf, Matthias

2009-01-01

Turbine vane heat transfer predictions are given for smooth and rough vanes where the experimental data show transition moving forward on the vane as the surface roughness physical height increases. Consiste nt with smooth vane heat transfer, the transition moves forward for a fixed roughness height as the Reynolds number increases. Comparison s are presented with published experimental data. Some of the data ar e for a regular roughness geometry with a range of roughness heights, Reynolds numbers, and inlet turbulence intensities. The approach ta ken in this analysis is to treat the roughness in a statistical sense , consistent with what would be obtained from blades measured after e xposure to actual engine environments. An approach is given to determ ine the equivalent sand grain roughness from the statistics of the re gular geometry. This approach is guided by the experimental data. A roughness transition criterion is developed, and comparisons are made with experimental data over the entire range of experimental test co nditions. Additional comparisons are made with experimental heat tran sfer data, where the roughness geometries are both regular as well a s statistical. Using the developed analysis, heat transfer calculatio ns are presented for the second stage vane of a high pressure turbine at hypothetical engine conditions.

Phase-field simulations of GaN growth by selective area epitaxy on complex mask geometries

DOE PAGES

Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung; ...

2015-05-15

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks andmore » processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

Error analysis of motion correction method for laser scanning of moving objects

NASA Astrophysics Data System (ADS)

Goel, S.; Lohani, B.

2014-05-01

The limitation of conventional laser scanning methods is that the objects being scanned should be static. The need of scanning moving objects has resulted in the development of new methods capable of generating correct 3D geometry of moving objects. Limited literature is available showing development of very few methods capable of catering to the problem of object motion during scanning. All the existing methods utilize their own models or sensors. Any studies on error modelling or analysis of any of the motion correction methods are found to be lacking in literature. In this paper, we develop the error budget and present the analysis of one such `motion correction' method. This method assumes availability of position and orientation information of the moving object which in general can be obtained by installing a POS system on board or by use of some tracking devices. It then uses this information along with laser scanner data to apply correction to laser data, thus resulting in correct geometry despite the object being mobile during scanning. The major application of this method lie in the shipping industry to scan ships either moving or parked in the sea and to scan other objects like hot air balloons or aerostats. It is to be noted that the other methods of "motion correction" explained in literature can not be applied to scan the objects mentioned here making the chosen method quite unique. This paper presents some interesting insights in to the functioning of "motion correction" method as well as a detailed account of the behavior and variation of the error due to different sensor components alone and in combination with each other. The analysis can be used to obtain insights in to optimal utilization of available components for achieving the best results.

Comparison of design features and mechanical properties of commercially available Veress needles.

PubMed

Schramel, Johannes P; Kindslehner, Angelika; Bockstahler, Barbara A; Dupré, Gilles P

2017-10-01

To compare design features and mechanical properties of 13 commercially available Veress needles (VN). In vitro biomechanical study. Veress needles from 9 manufacturers (6 reusable, 6 disposable, and 1 with a reusable stylet combined with a disposable cannula) were included in the study. Veress needles are designed with a spring-loaded stylet to protect the tip of the cannula following insertion into the abdomen. Stylet forces were measured with a scale in a test jig by moving the stylet in 0.5 mm steps into the hollow cannula. Forces and spring rates were derived from force-displacement plots. Mass, mechanical dimensions, and the bevel angle and geometry were assessed. Differences between VN models were analyzed with a univariate analysis of variance. Results are reported as mean ± SD or median (range). Physical and mechanical parameters differed between models. The exposed stylet length was 3.5 mm (2-7). Three bevel geometries (bias, lancet type, and back-cut) with angles between 20° and 40° were identified. Reusable VN weigh more (24.9 ± 2.2 g) than disposable designs (6.0 ± 2.3 g). The mean values for the spring rate and the residual stylet force were 0.23 ± 0.08 Nmm -1 and 0.94 ± 0.28 N, respectively. The mean force required to move the stylet to the cannula tip was 1.81 ± 0.29 N and 2.77 ± 0.54 N to move to the proximal end of the bevel. Commercially available VN use diverse bevel geometries and have different mechanical characteristics. Studies investigating laparoscopic entry complications should explicitly report the type of VN model used. © 2017 The American College of Veterinary Surgeons.

Mononuclear nickel (II) and copper (II) coordination complexes supported by bispicen ligand derivatives: Experimental and computational studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Nirupama; Niklas, Jens; Poluektov, Oleg

2017-01-01

The synthesis, characterization and density functional theory calculations of mononuclear Ni and Cu complexes supported by the N,N’-Dimethyl-N,N’-bis-(pyridine-2-ylmethyl)-1,2-diaminoethane ligand and its derivatives are reported. The complexes were characterized by X-ray crystallography as well as by UV-visible absorption spectroscopy and EPR spectroscopy. The solid state structure of these coordination complexes revealed that the geometry of the complex depended on the identity of the metal center. Solution phase characterization data are in accord with the solid phase structure, indicating minimal structural changes in solution. Optical spectroscopy revealed that all of the complexes exhibit color owing to d-d transition bands in the visiblemore » region. Magnetic parameters obtained from EPR spectroscopy with other structural data suggest that the Ni(II) complexes are in pseudo-octahedral geometry and Cu(II) complexes are in a distorted square pyramidal geometry. In order to understand in detail how ligand sterics and electronics affect complex topology detailed computational studies were performed. The series of complexes reported in this article will add significant value in the field of coordination chemistry as Ni(II) and Cu(II) complexes supported by tetradentate pyridyl based ligands are rather scarce.« less

Solar Proton Transport Within an ICRU Sphere Surrounded by a Complex Shield: Ray-trace Geometry

NASA Technical Reports Server (NTRS)

Slaba, Tony C.; Wilson, John W.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2015-01-01

A computationally efficient 3DHZETRN code with enhanced neutron and light ion (Z is less than or equal to 2) propagation was recently developed for complex, inhomogeneous shield geometry described by combinatorial objects. Comparisons were made between 3DHZETRN results and Monte Carlo (MC) simulations at locations within the combinatorial geometry, and it was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in ray-trace geometry. This latest extension enables the code to be used within current engineering design practices utilizing fully detailed vehicle and habitat geometries. Through convergence testing, it is shown that fidelity in an actual shield geometry can be maintained in the discrete ray-trace description by systematically increasing the number of discrete rays used. It is also shown that this fidelity is carried into transport procedures and resulting exposure quantities without sacrificing computational efficiency.

Solar proton exposure of an ICRU sphere within a complex structure part II: Ray-trace geometry.

PubMed

Slaba, Tony C; Wilson, John W; Badavi, Francis F; Reddell, Brandon D; Bahadori, Amir A

2016-06-01

A computationally efficient 3DHZETRN code with enhanced neutron and light ion (Z ≤ 2) propagation was recently developed for complex, inhomogeneous shield geometry described by combinatorial objects. Comparisons were made between 3DHZETRN results and Monte Carlo (MC) simulations at locations within the combinatorial geometry, and it was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in ray-trace geometry. This latest extension enables the code to be used within current engineering design practices utilizing fully detailed vehicle and habitat geometries. Through convergence testing, it is shown that fidelity in an actual shield geometry can be maintained in the discrete ray-trace description by systematically increasing the number of discrete rays used. It is also shown that this fidelity is carried into transport procedures and resulting exposure quantities without sacrificing computational efficiency. Published by Elsevier Ltd.

Wave field synthesis of moving virtual sound sources with complex radiation properties.

PubMed

Ahrens, Jens; Spors, Sascha

2011-11-01

An approach to the synthesis of moving virtual sound sources with complex radiation properties in wave field synthesis is presented. The approach exploits the fact that any stationary sound source of finite spatial extent radiates spherical waves at sufficient distance. The angular dependency of the radiation properties of the source under consideration is reflected by the amplitude and phase distribution on the spherical wave fronts. The sound field emitted by a uniformly moving monopole source is derived and the far-field radiation properties of the complex virtual source under consideration are incorporated in order to derive a closed-form expression for the loudspeaker driving signal. The results are illustrated via numerical simulations of the synthesis of the sound field of a sample moving complex virtual source.

Geometric isomerism in pentacoordinate Cu2+ complexes: equilibrium, kinetic, and density functional theory studies reveal the existence of equilibrium between square pyramidal and trigonal bipyramidal forms for a tren-derived ligand.

PubMed

Algarra, Andrés G; Basallote, Manuel G; Castillo, Carmen E; Clares, M Paz; Ferrer, Armando; García-España, Enrique; Llinares, José M; Máñez, M Angeles; Soriano, Conxa

2009-02-02

A ligand (L1) (bis(aminoethyl)[2-(4-quinolylmethyl)aminoethyl]amine) containing a 4-quinolylmethyl group attached to one of the terminal amino groups of tris(2-aminoethyl)amine (tren) has been prepared, and its protonation constants and stability constants for the formation of Cu(2+) complexes have been determined. Kinetic studies on the formation of Cu(2+) complexes in slightly acidic solutions and on the acid-promoted complex decomposition strongly suggest that the Cu(2+)-L1 complex exists in solution as a mixture of two species, one of them showing a trigonal bipyramidal (tbp) coordination environment with an absorption maximum at 890 nm in the electronic spectrum, and the other one being square pyramidal (sp) with a maximum at 660 nm. In acidic solution only a species with tbp geometry is formed, whereas in neutral and basic solutions a mixture of species with tbp and sp geometries is formed. The results of density functional theory (DFT) calculations indicate that these results can be rationalized by invoking the existence of an equilibrium of hydrolysis of the Cu-N bond with the amino group supporting the quinoline ring so that CuL1(2+) would be actually a mixture of tbp [CuL1(H(2)O)](2+) and sp [CuL1(H(2)O)(2)](2+). As there are many Cu(2+)-polyamine complexes with electronic spectra that show two overlapping bands at wavelengths close to those observed for the Cu(2+)-L1 complex, the existence of this kind of equilibrium between species with two different geometries can be quite common in the chemistry of these compounds. A correlation found between the position of the absorption maximum and the tau parameter measuring the distortion from the idealized tbp and sp geometries can be used to estimate the actual geometry in solution of this kind of complex.

Highly Manufacturable Deep (Sub-Millimeter) Etching Enabled High Aspect Ratio Complex Geometry Lego-Like Silicon Electronics.

PubMed

Ghoneim, Mohamed Tarek; Hussain, Muhammad Mustafa

2017-04-01

A highly manufacturable deep reactive ion etching based process involving a hybrid soft/hard mask process technology shows high aspect ratio complex geometry Lego-like silicon electronics formation enabling free-form (physically flexible, stretchable, and reconfigurable) electronic systems. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiple-block grid adaption for an airplane geometry

NASA Technical Reports Server (NTRS)

Abolhassani, Jamshid Samareh; Smith, Robert E.

1988-01-01

Grid-adaption methods are developed with the capability of moving grid points in accordance with several variables for a three-dimensional multiple-block grid system. These methods are algebraic, and they are implemented for the computation of high-speed flow over an airplane configuration.

Fractals in the Classroom

ERIC Educational Resources Information Center

Fraboni, Michael; Moller, Trisha

2008-01-01

Fractal geometry offers teachers great flexibility: It can be adapted to the level of the audience or to time constraints. Although easily explained, fractal geometry leads to rich and interesting mathematical complexities. In this article, the authors describe fractal geometry, explain the process of iteration, and provide a sample exercise.…

Characterization of Trinuclear Oxo Bridged Cobalt Complexes in Isolation

NASA Astrophysics Data System (ADS)

Lang, Johannes; Fries, Daniela V.; Niedner-Schatteburg, Gereon

2018-05-01

This study elucidates molecular structures, fragmentation pathways and relative stabilities of isolated trinuclear oxo bridged cobalt complexes of the structural type [Co3O(OAc)6(Py)n]+ (OAc=acetate, Py=pyridine, n=0, 1, 2, 3). We present infrared multiple photon dissociation (IR-MPD) spectra in combination with quantum chemical calculations. They indicate that the coordination of axial pyridine ligands to the [Co3O(OAc)6]+ subunit disturbs the triangular geometry of the Co3O core. [Co3O(OAc)6]+ exhibits a nearly equilateral triangular Co3O core geometry. The coordination of one or two pyridine ligands disturbs this arrangement resulting in isosceles triangular Co3O core geometries (in the cases of n=1 and 2). Coordination of three pyridine ligands (n=3) results in an equilateral triangular Co3O core geometry as in the case of n=0. Collision induced dissociation (CID) studies reveal that the complexes undergo a consecutive elimination of pyridine and acetate ligands with increasing excitation energy. Relative stabilities of the complexes decrease with the number of coordinated pyridine ligands. The presented results help to gain a fundamental insight into the molecular structure of trinuclear oxo bridged cobalt complexes void of any external effects such as crystal packing or solvation.

A high-order multi-zone cut-stencil method for numerical simulations of high-speed flows over complex geometries

NASA Astrophysics Data System (ADS)

Greene, Patrick T.; Eldredge, Jeff D.; Zhong, Xiaolin; Kim, John

2016-07-01

In this paper, we present a method for performing uniformly high-order direct numerical simulations of high-speed flows over arbitrary geometries. The method was developed with the goal of simulating and studying the effects of complex isolated roughness elements on the stability of hypersonic boundary layers. The simulations are carried out on Cartesian grids with the geometries imposed by a third-order cut-stencil method. A fifth-order hybrid weighted essentially non-oscillatory scheme was implemented to capture any steep gradients in the flow created by the geometries and a third-order Runge-Kutta method is used for time advancement. A multi-zone refinement method was also utilized to provide extra resolution at locations with expected complex physics. The combination results in a globally fourth-order scheme in space and third order in time. Results confirming the method's high order of convergence are shown. Two-dimensional and three-dimensional test cases are presented and show good agreement with previous results. A simulation of Mach 3 flow over the logo of the Ubuntu Linux distribution is shown to demonstrate the method's capabilities for handling complex geometries. Results for Mach 6 wall-bounded flow over a three-dimensional cylindrical roughness element are also presented. The results demonstrate that the method is a promising tool for the study of hypersonic roughness-induced transition.

Dynamic hyperbolic geometry: building intuition and understanding mediated by a Euclidean model

NASA Astrophysics Data System (ADS)

Moreno-Armella, Luis; Brady, Corey; Elizondo-Ramirez, Rubén

2018-05-01

This paper explores a deep transformation in mathematical epistemology and its consequences for teaching and learning. With the advent of non-Euclidean geometries, direct, iconic correspondences between physical space and the deductive structures of mathematical inquiry were broken. For non-Euclidean ideas even to become thinkable the mathematical community needed to accumulate over twenty centuries of reflection and effort: a precious instance of distributed intelligence at the cultural level. In geometry education after this crisis, relations between intuitions and geometrical reasoning must be established philosophically, rather than taken for granted. One approach seeks intuitive supports only for Euclidean explorations, viewing non-Euclidean inquiry as fundamentally non-intuitive in nature. We argue for moving beyond such an impoverished approach, using dynamic geometry environments to develop new intuitions even in the extremely challenging setting of hyperbolic geometry. Our efforts reverse the typical direction, using formal structures as a source for a new family of intuitions that emerge from exploring a digital model of hyperbolic geometry. This digital model is elaborated within a Euclidean dynamic geometry environment, enabling a conceptual dance that re-configures Euclidean knowledge as a support for building intuitions in hyperbolic space-intuitions based not directly on physical experience but on analogies extending Euclidean concepts.

3D modelling of the Tejeda Caldera cone-sheet swarm, Gran Canaria, Canary Islands, Spain

NASA Astrophysics Data System (ADS)

Samrock, Lisa K.; Jensen, Max J.; Burchardt, Steffi; Troll, Valentin R.; Mattsson, Tobias; Geiger, Harri

2015-04-01

Cone-sheet swarms provide vital information on the interior of volcanic systems and their plumbing systems (e.g. Burchardt et al. 2013). This information is important for the interpretation of processes and dynamics of modern and ancient volcanic systems, and is therefore vital for assessing volcanic hazards and to reduce risks to modern society. To more realistically model cone-sheet emplacement an approximation of their 3D shape needs to be known. Most cone-sheet swarms are not sufficiently exposed laterally and/or vertically, however, which makes it difficult to determine the geometry of a cone-sheet swarm at depth, especially since different shapes (e.g. convex, straight or concave continuations) would produce a similar trace at the surface (cf. Burchardt et al. 2011, and references therein). The Miocene Tejeda Caldera on Gran Canaria, Canary Islands, Spain, hosts a cone-sheet swarm that was emplaced into volcaniclastic caldera infill at about 12.3-7.3 Ma (Schirnick et al. 1999). The dyke swarm displays over 1000 m of vertical exposure and more than 15 km of horizontal exposure, making it a superb locality to study the evolution of cone-sheet swarms in detail and to determine its actual geometry in 3D space. We have used structural data of Schirnick (1996) to model the geometry of the Tejeda cone-sheet in 3D, using the software Move® by Midland Valley Ltd. Based on previous 2D projections, Schirnick et al. (1999) suggested that the cone-sheet swarm is formed by a stack of parallel intrusive sheets which have a truncated dome geometry and form a concentric structure around a central axis, assuming straight sheet-intrusions. Our 3D model gives insight into the symmetries of the sheets and the overall geometry of the cone-sheet swarm below the surface. This visualization now allows to grasp the complexity of the Tejeda cone-sheet swarm at depth, particularly in relation to different possible cone-sheet geometries suggested in the literature (cf. Burchardt et al. 2011, and references therein), and we discuss the implications of this architecture for the feeding system of the Tejeda volcano and the associated temporal variations of cone-sheet emplacement. References: Burchardt, S., Tanner, D.C., Troll, V.R., Krumbholz, M., Gustafsson, L.E. (2011) Three-dimensional geometry of concentric intrusive sheet swarms in the Geitafell and the Dyrfjöll volcanoes, eastern Iceland. Geochemistry, Geophysics, Geosystems 12(7): Q0AB09. Burchardt, S., Troll, V.R., Mathieu, L., Emeleus, H.C., Donaldson, C.H. (2013) Ardnamruchan 3D cone-sheet architecture explained by a single elongate magma chamber. Scientific Reports 3:2891. Schirnick, C. (1996) Formation of an intracaldera cone sheet dike swarm (Tejeda Caldera, Gran Canaria) (Dissertation). Christian-Albrechts-Universität, Kiel, Germany. Schirnick, C., van den Bogaard, P., Schmincke, H.-U. (1999) Cone-sheet formation and intrusive growth of an oceanic island - The Miocene Tejeda complex on Gran Canaria (Canary Islands). Geology, 27: 207-210.

Interplay of Zero-Field Splitting and Excited State Geometry Relaxation in fac-Ir(ppy)3.

PubMed

Gonzalez-Vazquez, José P; Burn, Paul L; Powell, Benjamin J

2015-11-02

The lowest energy triplet state, T1, of organometallic complexes based on iridium(III) is of fundamental interest, as the behavior of molecules in this state determines the suitability of the complex for use in many applications, e.g., organic light-emitting diodes. Previous characterization of T1 in fac-Ir(ppy)3 suggests that the trigonal symmetry of the complex is weakly broken in the excited state. Here we report relativistic time dependent density functional calculations of the zero-field splitting (ZFS) of fac-Ir(ppy)3 in the ground state (S0) and lowest energy triplet (T1) geometries and at intermediate geometries. We show that the energy scale of the geometry relaxation in the T1 state is large compared to the ZFS. Thus, the natural analysis of the ZFS and the radiative decay rates, based on the assumption that the structural distortion is a small perturbation, fails dramatically. In contrast, our calculations of these quantities are in good agreement with experiment.

Clinothem Lobe Growth and Possible Ties to Downslope Processes in the Gulf of Papua

NASA Astrophysics Data System (ADS)

Wei, E. A. Y.; Driscoll, N. W.; Milliman, J. D.; Slingerland, R. L.

2014-12-01

The Gulf of Papua is fed by the large-floodplain Fly River and small mountainous rivers to the north, thus creating an ideal environment where end-member cases of river systems and their deltas (e.g. the large-floodplain Brazos River and the narrow-shelved Eel River) can be studied. Input from five rivers into the gulf has constructed a three-dimensional mid-shelf clinothem composed of three depositional lobes, with a central lobe downlapped by two younger lobes to the north and south. This geometry suggests that the three lobes are not syndepositional but rather that clinoform depocenters have shifted 60 km, thus bypassing adjacent accommodation. Newly examined CHIRP (Compressed High Intensity Radar Pulse) seismic lines and XRF analysis of piston cores from the 2004 NSF MARGINS program reveal distinct lobes offshore that exhibit increased complexity moving shoreward. Evidence of shoreward complexity and lobe interfingering cause us to question the originally proposed mechanism for depocenter shift involving circulation changes. An alternative hypothesis that stems from distinct lobe architecture farther offshore suggests that channelized downslope processes and nearshore storage may play important roles in lobe growth.

Spectroscopic evaluation of Co(II), Ni(II) and Cu(II) complexes derived from thiosemicarbazone and semicarbazone

NASA Astrophysics Data System (ADS)

Chandra, Sulekh; Kumar, Anil

2007-12-01

Co(II), Ni(II) and Cu(II) complexes were synthesized with thiosemicarbazone (L 1) and semicarbazone (L 2) derived from 2-acetyl furan. These complexes were characterized by elemental analysis, molar conductance, magnetic moment, mass, IR, electronic and EPR spectral studies. The molar conductance measurement of the complexes in DMSO corresponds to non-electrolytic nature. All the complexes are of high-spin type. On the basis of different spectral studies six coordinated geometry may be assigned for all the complexes except Co(L) 2(SO 4) and Cu(L) 2(SO 4) [where L = L 1 and L 2] which are of five coordinated square pyramidal geometry.

24 CFR 1003.602 - Relocation and real property acquisition.

Code of Federal Regulations, 2010 CFR

2010-04-01

... may occupy a suitable, decent, safe, and sanitary dwelling in the building/complex following... dwelling unit who moves from the building/complex permanently after the submission to HUD of an application... project. (iii) A tenant-occupant of a dwelling who moves from the building/complex permanently, after the...

Stability analysis of an F/A-18 E/F cable mount m odel

NASA Technical Reports Server (NTRS)

Thompson, Nancy; Farmer, Moses

1994-01-01

A full-span F/A-18 E/F cable mounted wind tunnel model is part of a flutter clearance program at the NASA Langley Transonic Dynamics Tunnel. Parametric analysis of this model using GRUMCBL software was conducted to assess stability for wind tunnel tests. Two configurations of the F/A-18 E/F were examined. The parameters examined were pulley-cable friction, mach number, dynamic pressure, cable geometry, center of gravity location, cable tension, snubbing the model, drag, and test medium. For the nominal cable geometry (Cable Geometry 1), Configuration One was unstable for cases with higher pulley-cable friction coefficients. A new cable geometry (Cable Geometry 3) was determined in which Configuration One was stable for all cases evaluated. Configuration Two with the nominal center of gravity position was found to be unstable for cases with higher pulley-cable friction coefficients; however, the model was stable when the center of gravity moved forward 1/2. The model was tested using the cable mount system during the initial wind tunnel entry and was stable as predicted.

Drop tower with no aerodynamic drag

NASA Technical Reports Server (NTRS)

Kendall, J. M., Jr.

1981-01-01

Cooling air accelerated to match velocity of falling object eliminates drag. 3 meter drop tower with suction fan and specific geometry causes air to accelerate downward at 1 g. Although cooling of molten material released from top is slow because surrounding air moves with it, drop remains nearly spherical.

Mathematics, Vol. 2.

ERIC Educational Resources Information Center

Bureau of Naval Personnel, Washington, DC.

The second of three volumes of a mathematics training course for Navy personnel, this document contains material primarily found at the college level. Beginning with logarithms and trigonometry, the text moves into vectors and static equilibrium (physics). Coordinate geometry, conic sections, and the tangents, normals, and slopes of curves follow.…

Geometry of Quantum Computation with Qudits

PubMed Central

Luo, Ming-Xing; Chen, Xiu-Bo; Yang, Yi-Xian; Wang, Xiaojun

2014-01-01

The circuit complexity of quantum qubit system evolution as a primitive problem in quantum computation has been discussed widely. We investigate this problem in terms of qudit system. Using the Riemannian geometry the optimal quantum circuits are equivalent to the geodetic evolutions in specially curved parametrization of SU(dn). And the quantum circuit complexity is explicitly dependent of controllable approximation error bound. PMID:24509710

Fractal morphometry of cell complexity.

PubMed

Losa, Gabriele A

2002-01-01

Irregularity and self-similarity under scale changes are the main attributes of the morphological complexity of both normal and abnormal cells and tissues. In other words, the shape of a self-similar object does not change when the scale of measurement changes, because each part of it looks similar to the original object. However, the size and geometrical parameters of an irregular object do differ when it is examined at increasing resolution, which reveals more details. Significant progress has been made over the past three decades in understanding how irregular shapes and structures in the physical and biological sciences can be analysed. Dominant influences have been the discovery of a new practical geometry of Nature, now known as fractal geometry, and the continuous improvements in computation capabilities. Unlike conventional Euclidean geometry, which was developed to describe regular and ideal geometrical shapes which are practically unknown in nature, fractal geometry can be used to measure the fractal dimension, contour length, surface area and other dimension parameters of almost all irregular and complex biological tissues. We have used selected examples to illustrate the application of the fractal principle to measuring irregular and complex membrane ultrastructures of cells at specific functional and pathological stage.

The trigonal prism in coordination chemistry.

PubMed

Cremades, Eduard; Echeverría, Jorge; Alvarez, Santiago

2010-09-10

Herein we analyze the accessibility of the trigonal-prismatic geometry to metal complexes with different electron configurations, as well as the ability of several hexadentate ligands to favor that coordination polyhedron. Our study combines i) a structural database analysis of the occurrence of the prismatic geometry throughout the transition-metal series, ii) a qualitative molecular orbital analysis of the distortions expected for a trigonal-prismatic geometry, and iii) a computational study of complexes of several transition-metal ions with different hexadentate ligands. Also the tendency of specific electron configurations to present a cis bond-stretch Jahn-Teller distortion is analyzed.

Tensorial Minkowski functionals of triply periodic minimal surfaces

PubMed Central

Mickel, Walter; Schröder-Turk, Gerd E.; Mecke, Klaus

2012-01-01

A fundamental understanding of the formation and properties of a complex spatial structure relies on robust quantitative tools to characterize morphology. A systematic approach to the characterization of average properties of anisotropic complex interfacial geometries is provided by integral geometry which furnishes a family of morphological descriptors known as tensorial Minkowski functionals. These functionals are curvature-weighted integrals of tensor products of position vectors and surface normal vectors over the interfacial surface. We here demonstrate their use by application to non-cubic triply periodic minimal surface model geometries, whose Weierstrass parametrizations allow for accurate numerical computation of the Minkowski tensors. PMID:24098847

SABRINA - an interactive geometry modeler for MCNP

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, J.T.; Murphy, J.

One of the most difficult tasks when analyzing a complex three-dimensional system with Monte Carlo is geometry model development. SABRINA attempts to make the modeling process more user-friendly and less of an obstacle. It accepts both combinatorial solid bodies and MCNP surfaces and produces MCNP cells. The model development process in SABRINA is highly interactive and gives the user immediate feedback on errors. Users can view their geometry from arbitrary perspectives while the model is under development and interactively find and correct modeling errors. An example of a SABRINA display is shown. It represents a complex three-dimensional shape.

Synthesis, spectroscopic, anticancer, antibacterial and antifungal studies of Ni(II) and Cu(II) complexes with hydrazine carboxamide, 2-[3-methyl-2-thienyl methylene

NASA Astrophysics Data System (ADS)

Chandra, Sulekh; Vandana; Kumar, Suresh

2015-01-01

Schiff's base ligand(L) hydrazine carboxamide, 2-[3-methyl-2-thienyl methylene] and its metal complexes have been synthesized and characterized by elemental analysis, molar conductance, various spectroscopic techniques such as electronic, IR, 1H NMR, mass, EPR. Molar conductance of complexes in DMF solution corresponds to non-electrolyte. Complexes have general composition [M(L)2X2], where M = Ni(II) and Cu(II), X = Cl-, NO3-, CH3COO- and ½SO42-. On the basis of above spectral studies, an octahedral geometry has been assigned for Ni(II) complexes and tetragonal geometry for Cu(II) complexes except [Cu(L)2SO4] which possesses five coordinated trigonal bipyramidal geometry. These metal complexes were also tested for their anticancer, antibacterial and antifungal activities to assess their inhibition potential. Anticancer activity of ligand and its metal complexes were evaluated using SRB fluorometric assay and Adriamycin (ADR) was applied as positive control. Schiff's base ligand and its metal complexes were screened for their antibacterial and antifungal activity against Escherichia coli, Bacillus cereus and Aspergillus niger, Aspergillus flavus, respectively. Kirby-Bauer single disk susceptibility test was used for antibacterial activity and well diffusion method for antifungal activity of the compounds on the used fungi.

Passive synthetic aperture radar imaging of ground moving targets

NASA Astrophysics Data System (ADS)

Wacks, Steven; Yazici, Birsen

2012-05-01

In this paper we present a method for imaging ground moving targets using passive synthetic aperture radar. A passive radar imaging system uses small, mobile receivers that do not radiate any energy. For these reasons, passive imaging systems result in signicant cost, manufacturing, and stealth advantages. The received signals are obtained by multiple airborne receivers collecting scattered waves due to illuminating sources of opportunity such as commercial television, radio, and cell phone towers. We describe a novel forward model and a corresponding ltered-backprojection type image reconstruction method combined with entropy optimization. Our method determines the location and velocity of multiple targets moving at dierent velocities. Furthermore, it can accommodate arbitrary imaging geometries. we present numerical simulations to verify the imaging method.

Observation and simulation of an optically driven micromotor

NASA Astrophysics Data System (ADS)

Metzger, N. K.; Mazilu, M.; Kelemen, L.; Ormos, P.; Dholakia, K.

2011-04-01

In the realm of low Reynolds number flow there is a need to find methods to pump, move and mix minute amounts of analyte. Interestingly, micro-devices performing such actuation can be initiated by means of the light-matter interaction. Light induced forces and torques are exerted on such micro-objects, which are then driven by the optical gradient or scattering force. Here, different driving geometries can be realized to harness the light induced force. For example, the scattering force enables micro-gears to be operated in a tangential setup where the micromotor rotors are in line with an optical waveguide. The operational geometry we investigate has the advantage that it reduces the complexity of the driving of such a device in a microfluidic environment by delivering the actuating light by means of a waveguide or fiber optic. In this paper we explore the case of a micromotor being driven by a fiber optically delivered light beam. We experimentally investigate how the driving light interacts with and diffracts from the motor, utilizing two-photon imaging. The micromotor rotation rate dependence on the light field parameters is explored. Additionally, a theoretical model based on the paraxial approximation is used to simulate the torque and predict the rotation rate of such a device and compare it with experiment. The results presented show that our model can be used to optimize the micromotor performance and some example motor designs are evaluated.

Integration of Irma tactical scene generator into directed-energy weapon system simulation

NASA Astrophysics Data System (ADS)

Owens, Monte A.; Cole, Madison B., III; Laine, Mark R.

2003-08-01

Integrated high-fidelity physics-based simulations that include engagement models, image generation, electro-optical hardware models and control system algorithms have previously been developed by Boeing-SVS for various tracking and pointing systems. These simulations, however, had always used images with featureless or random backgrounds and simple target geometries. With the requirement to engage tactical ground targets in the presence of cluttered backgrounds, a new type of scene generation tool was required to fully evaluate system performance in this challenging environment. To answer this need, Irma was integrated into the existing suite of Boeing-SVS simulation tools, allowing scene generation capabilities with unprecedented realism. Irma is a US Air Force research tool used for high-resolution rendering and prediction of target and background signatures. The MATLAB/Simulink-based simulation achieves closed-loop tracking by running track algorithms on the Irma-generated images, processing the track errors through optical control algorithms, and moving simulated electro-optical elements. The geometry of these elements determines the sensor orientation with respect to the Irma database containing the three-dimensional background and target models. This orientation is dynamically passed to Irma through a Simulink S-function to generate the next image. This integrated simulation provides a test-bed for development and evaluation of tracking and control algorithms against representative images including complex background environments and realistic targets calibrated using field measurements.

Size-sensitive sorting of microparticles through control of flow geometry

NASA Astrophysics Data System (ADS)

Wang, Cheng; Jalikop, Shreyas V.; Hilgenfeldt, Sascha

2011-07-01

We demonstrate a general concept of flow manipulation in microfluidic environments, based on controlling the shape and position of flow domains in order to force switching and sorting of microparticles without moving parts or changes in design geometry. Using microbubble acoustic streaming, we show that regulation of the relative strength of streaming and a superimposed Poiseuille flow allows for size-selective trapping and releasing of particles, with particle size sensitivity much greater than what is imposed by the length scales of microfabrication. A simple criterion allows for quantitative tuning of microfluidic devices for switching and sorting of particles of desired size.

Literature review relevant to particle erosion in complex geometries

NASA Astrophysics Data System (ADS)

Volent, Eirik; Dahlhaug, Ole Gunnar

2018-06-01

Erosion is a challenge in many industries where fluid is transferred through pipe and valve arrangements. Wear can occur in a variety of systems and is often related to the presents of droplets or solid particles in the fluid stream. Solid particles are in many cases present in hydropower systems, and can cause severe damage to system components. Flow conditions, particle size and concentration vary greatly and can thus cause a vast variety of damage, ranging from manageable wear to component failure. The following paper will present a summary of literature relevant to the prediction of erosion in complex geometries. The intention of the review is to investigate the current state of the art, directly relevant to the prediction of wear due to solid particle erosion in complex geometries.

Transport of the moving barrier driven by chiral active particles

NASA Astrophysics Data System (ADS)

Liao, Jing-jing; Huang, Xiao-qun; Ai, Bao-quan

2018-03-01

Transport of a moving V-shaped barrier exposed to a bath of chiral active particles is investigated in a two-dimensional channel. Due to the chirality of active particles and the transversal asymmetry of the barrier position, active particles can power and steer the directed transport of the barrier in the longitudinal direction. The transport of the barrier is determined by the chirality of active particles. The moving barrier and active particles move in the opposite directions. The average velocity of the barrier is much larger than that of active particles. There exist optimal parameters (the chirality, the self-propulsion speed, the packing fraction, and the channel width) at which the average velocity of the barrier takes its maximal value. In particular, tailoring the geometry of the barrier and the active concentration provides novel strategies to control the transport properties of micro-objects or cargoes in an active medium.

Dynamic behavior of geometrically complex hybrid composite samples in a Split-Hopkinson Pressure Bar system

NASA Astrophysics Data System (ADS)

Pouya, M.; Balasubramaniam, S.; Sharafiev, S.; F-X Wagner, M.

2018-06-01

The interfaces between layered materials play an important role for the overall mechanical behavior of hybrid composites, particularly during dynamic loading. Moreover, in complex-shaped composites, interfacial failure is strongly affected by the geometry and size of these contact interfaces. As preliminary work for the design of a novel sample geometry that allows to analyze wave reflection phenomena at the interfaces of such materials, a series of experiments using a Split-Hopkinson Pressure Bar technique was performed on five different sample geometries made of a monomaterial steel. A complementary explicit finite element model of the Split-Hopkinson Pressure Bar system was developed and the same sample geometries were studied numerically. The simulated input, reflected and transmitted elastic wave pulses were analyzed for the different sample geometries and were found to agree well with the experimental results. Additional simulations using different composite layers of steel and aluminum (with the same sample geometries) were performed to investigate the effect of material variation on the propagated wave pulses. The numerical results show that the reflected and transmitted wave pulses systematically depend on the sample geometry, and that elastic wave pulse propagation is affected by the properties of individual material layers.

Origins of cellular geometry

PubMed Central

2011-01-01

Cells are highly complex and orderly machines, with defined shapes and a startling variety of internal organizations. Complex geometry is a feature of both free-living unicellular organisms and cells inside multicellular animals. Where does the geometry of a cell come from? Many of the same questions that arise in developmental biology can also be asked of cells, but in most cases we do not know the answers. How much of cellular organization is dictated by global cell polarity cues as opposed to local interactions between cellular components? Does cellular structure persist across cell generations? What is the relationship between cell geometry and tissue organization? What ensures that intracellular structures are scaled to the overall size of the cell? Cell biology is only now beginning to come to grips with these questions. PMID:21880160

Gas-enabled resonance and rectified motion of a piston in a vibrated housing filled with a viscous liquid

DOE PAGES

Romero, Louis A.; Torczynski, John R.; Clausen, Jonathan R.; ...

2015-11-16

Herein, we show how introducing a small amount of gas can completely change the motion of a solid object in a viscous liquid during vibration. We analyze an idealized system exhibiting this behavior: a piston moving in a liquid-filled housing, where the gaps between the piston and the housing are narrow and depend on the piston position. Recent experiments have shown that vibration causes some gas to move below the piston and the piston to subsequently move downward and compress its supporting spring. Herein, we analyze the analogous but simpler situation in which the gas regions are replaced by bellowsmore » with similar pressure-volume relationships. We show that these bellows form a spring (analogous to the pneumatic spring formed by the gas regions) which enables the piston and the liquid to oscillate in a mode that does not exist without this spring. This mode is referred to here as the Couette mode because the liquid in the gaps moves essentially in Couette flow (i.e., with almost no component of Poiseuille flow). Since Couette flow by itself produces extremely low damping, the Couette mode has a strong resonance. We show that, near this resonance, the dependence of the gap geometry on the piston position produces a large rectified (net) force on the piston during vibration. As a result, this force can be much larger than the piston weight and the strength of its supporting spring and is in the direction that decreases the flow resistance of the gap geometry.« less

Urban Terrain Modeling for Augmented Reality Applications

DTIC Science & Technology

2001-01-01

pointing ( Maybank -92). Almost all such systems are designed to extract the geometry of buildings and to texture these to provide models that can be... Maybank , S. and Faugeras, O. (1992). A Theory of Self-Calibration of a Moving Camera, International Journal of Computer Vision, 8(2):123-151

Method for upgrading the performance at track transitions for high-speed service : next generation high-speed rail program

DOT National Transportation Integrated Search

2001-09-01

High-speed trains in the speed range of 100 to 160 mph require tracks of nearly perfect geometry and mechanical uniformity, when subjected to moving wheel loads. Therefore, this report briefly describes the remedies being used by various railroads to...

Leveraging Interactive Geometry Software to Prompt Discussion

ERIC Educational Resources Information Center

Prasad, Priya V.

2016-01-01

How can we, as teachers, encourage students to move from drawing geometric objects to constructing them and thereby build their mathematical reasoning skills? One way to encourage students to construct instead of draw shapes and to help students develop more robust understandings of geometric relationships and constructions is to use interactive…

Synthesis and Fluorescence Properties of Structurally Characterized Heterobimetalic Cu(II)⁻Na(I) Bis(salamo)-Based Complex Bearing Square Planar, Square Pyramid and Triangular Prism Geometries of Metal Centers.

PubMed

Dong, Xiu-Yan; Zhao, Qing; Wei, Zhi-Li; Mu, Hao-Ran; Zhang, Han; Dong, Wen-Kui

2018-04-25

A novel heterotrinuclear complex [Cu₂(L)Na( µ -NO₃)]∙CH₃OH∙CHCl₃ derived from a symmetric bis(salamo)-type tetraoxime H₄L having a naphthalenediol unit, was prepared and structurally characterized via means of elemental analyses, UV-Vis, FT-IR, fluorescent spectra and single-crystal X-ray diffraction. The heterobimetallic Cu(II)⁻Na(I) complex was acquired via the reaction of H₄L with 2 equivalents of Cu(NO₃)₂·2H₂O and 1 equivalent of NaOAc. Clearly, the heterotrinuclear Cu(II)⁻Na(I) complex has a 1:2:1 ligand-to-metal (Cu(II) and Na(I)) ratio. X-ray diffraction results exhibited the different geometric behaviors of the Na(I) and Cu(II) atoms in the heterotrinuclear complex; the both Cu(II) atoms are sited in the N₂O₂ coordination environments of fully deprotonated (L) 4− unit. One Cu(II) atom (Cu1) is five-coordinated and possesses a geometry of slightly distorted square pyramid, while another Cu(II) atom (Cu2) is four-coordination possessing a square planar coordination geometry. Moreover, the Na(I) atom is in the O₆ cavity and adopts seven-coordination with a geometry of slightly distorted single triangular prism. In addition, there are abundant supramolecular interactions in the Cu(II)⁻Na(I) complex. The fluorescence spectra showed the Cu(II)⁻Na(I) complex possesses a significant fluorescent quenching and exhibited a hypsochromic-shift compared with the ligand H₄L.

A Case Example of Insect Gymnastics: How Is Non-Euclidean Geometry Learned?

ERIC Educational Resources Information Center

Junius, Premalatha

2008-01-01

The focus of the article is on the complex cognitive process involved in learning the concept of "straightness" in Non-Euclidean geometry. Learning new material is viewed through a conflict resolution framework, as a student questions familiar assumptions understood in Euclidean geometry. A case study reveals how mathematization of the straight…

Calabi's conjecture and some new results in algebraic geometry

PubMed Central

Yau, Shing-Tung

1977-01-01

We announce a proof of Calabi's conjectures on the Ricci curvature of a compact Kähler manifold and then apply it to prove some new results in algebraic geometry and differential geometry. For example, we prove that the only Kähler structure on a complex projective space is the standard one. PMID:16592394

Evaluating transition state structures of vanadium-phosphatase protein complexes using shape analysis.

PubMed

Sánchez-Lombardo, Irma; Alvarez, Santiago; McLauchlan, Craig C; Crans, Debbie C

2015-06-01

Shape analysis of coordination complexes is well-suited to evaluate the subtle distortions in the trigonal bipyramidal (TBPY-5) geometry of vanadium coordinated in the active site of phosphatases and characterized by X-ray crystallography. Recent studies using the tau (τ) analysis support the assertion that vanadium is best described as a trigonal bipyramid, because this geometry is the ideal transition state geometry of the phosphate ester substrate hydrolysis (C.C. McLauchlan, B.J. Peters, G.R. Willsky, D.C. Crans, Coord. Chem. Rev. http://dx.doi.org/10.1016/j.ccr.2014.12.012 ; D.C. Crans, M.L. Tarlton, C.C. McLauchlan, Eur. J. Inorg. Chem. 2014, 4450-4468). Here we use continuous shape measures (CShM) analysis to investigate the structural space of the five-coordinate vanadium-phosphatase complexes associated with mechanistic transformations between the tetrahedral geometry and the five-coordinate high energy TBPY-5 geometry was discussed focusing on the protein tyrosine phosphatase 1B (PTP1B) enzyme. No evidence for square pyramidal geometries was observed in any vanadium-protein complexes. The shape analysis positioned the metal ion and the ligands in the active site reflecting the mechanism of the cleavage of the organic phosphate in a phosphatase. We identified the umbrella distortions to be directly on the reaction path between tetrahedral phosphate and the TBPY-5-types of high-energy species. The umbrella distortions of the trigonal bipyramid are therefore identified as being the most relevant types of transition state structures for the phosphoryl group transfer reactions for phosphatases and this may be related to the possibility that vanadium is an inhibitor for enzymes that support both exploded and five-coordinate transition states. Copyright © 2015 Elsevier Inc. All rights reserved.

Lattice gas simulations of dynamical geometry in two dimensions.

PubMed

Klales, Anna; Cianci, Donato; Needell, Zachary; Meyer, David A; Love, Peter J

2010-10-01

We present a hydrodynamic lattice gas model for two-dimensional flows on curved surfaces with dynamical geometry. This model is an extension to two dimensions of the dynamical geometry lattice gas model previously studied in one dimension. We expand upon a variation of the two-dimensional flat space Frisch-Hasslacher-Pomeau (FHP) model created by Frisch [Phys. Rev. Lett. 56, 1505 (1986)] and independently by Wolfram, and modified by Boghosian [Philos. Trans. R. Soc. London, Ser. A 360, 333 (2002)]. We define a hydrodynamic lattice gas model on an arbitrary triangulation whose flat space limit is the FHP model. Rules that change the geometry are constructed using the Pachner moves, which alter the triangulation but not the topology. We present results on the growth of the number of triangles as a function of time. Simulations show that the number of triangles grows with time as t(1/3), in agreement with a mean-field prediction. We also present preliminary results on the distribution of curvature for a typical triangulation in these simulations.

Network geometry with flavor: From complexity to quantum geometry

NASA Astrophysics Data System (ADS)

Bianconi, Ginestra; Rahmede, Christoph

2016-03-01

Network geometry is attracting increasing attention because it has a wide range of applications, ranging from data mining to routing protocols in the Internet. At the same time advances in the understanding of the geometrical properties of networks are essential for further progress in quantum gravity. In network geometry, simplicial complexes describing the interaction between two or more nodes play a special role. In fact these structures can be used to discretize a geometrical d -dimensional space, and for this reason they have already been widely used in quantum gravity. Here we introduce the network geometry with flavor s =-1 ,0 ,1 (NGF) describing simplicial complexes defined in arbitrary dimension d and evolving by a nonequilibrium dynamics. The NGF can generate discrete geometries of different natures, ranging from chains and higher-dimensional manifolds to scale-free networks with small-world properties, scale-free degree distribution, and nontrivial community structure. The NGF admits as limiting cases both the Bianconi-Barabási models for complex networks, the stochastic Apollonian network, and the recently introduced model for complex quantum network manifolds. The thermodynamic properties of NGF reveal that NGF obeys a generalized area law opening a new scenario for formulating its coarse-grained limit. The structure of NGF is strongly dependent on the dimensionality d . In d =1 NGFs grow complex networks for which the preferential attachment mechanism is necessary in order to obtain a scale-free degree distribution. Instead, for NGF with dimension d >1 it is not necessary to have an explicit preferential attachment rule to generate scale-free topologies. We also show that NGF admits a quantum mechanical description in terms of associated quantum network states. Quantum network states evolve by a Markovian dynamics and a quantum network state at time t encodes all possible NGF evolutions up to time t . Interestingly the NGF remains fully classical but its statistical properties reveal the relation to its quantum mechanical description. In fact the δ -dimensional faces of the NGF have generalized degrees that follow either the Fermi-Dirac, Boltzmann, or Bose-Einstein statistics depending on the flavor s and the dimensions d and δ .

Network geometry with flavor: From complexity to quantum geometry.

PubMed

Bianconi, Ginestra; Rahmede, Christoph

2016-03-01

Network geometry is attracting increasing attention because it has a wide range of applications, ranging from data mining to routing protocols in the Internet. At the same time advances in the understanding of the geometrical properties of networks are essential for further progress in quantum gravity. In network geometry, simplicial complexes describing the interaction between two or more nodes play a special role. In fact these structures can be used to discretize a geometrical d-dimensional space, and for this reason they have already been widely used in quantum gravity. Here we introduce the network geometry with flavor s=-1,0,1 (NGF) describing simplicial complexes defined in arbitrary dimension d and evolving by a nonequilibrium dynamics. The NGF can generate discrete geometries of different natures, ranging from chains and higher-dimensional manifolds to scale-free networks with small-world properties, scale-free degree distribution, and nontrivial community structure. The NGF admits as limiting cases both the Bianconi-Barabási models for complex networks, the stochastic Apollonian network, and the recently introduced model for complex quantum network manifolds. The thermodynamic properties of NGF reveal that NGF obeys a generalized area law opening a new scenario for formulating its coarse-grained limit. The structure of NGF is strongly dependent on the dimensionality d. In d=1 NGFs grow complex networks for which the preferential attachment mechanism is necessary in order to obtain a scale-free degree distribution. Instead, for NGF with dimension d>1 it is not necessary to have an explicit preferential attachment rule to generate scale-free topologies. We also show that NGF admits a quantum mechanical description in terms of associated quantum network states. Quantum network states evolve by a Markovian dynamics and a quantum network state at time t encodes all possible NGF evolutions up to time t. Interestingly the NGF remains fully classical but its statistical properties reveal the relation to its quantum mechanical description. In fact the δ-dimensional faces of the NGF have generalized degrees that follow either the Fermi-Dirac, Boltzmann, or Bose-Einstein statistics depending on the flavor s and the dimensions d and δ.

Synthesis, Spectroscopic, and Antimicrobial Studies on Bivalent Nickel and Copper Complexes of Bis(thiosemicrbazone)

PubMed Central

Chandra, Sulekh; Raizada, Smriti; Tyagi, Monika; Gautam, Archana

2007-01-01

A series of metal complexes of Cu(II) and Ni(II) having the general composition [M(L)X2] with benzil bis(thiosemicarbazone) has been prepared and characterized by element chemical analysis, molar conductance, magnetic susceptibility measurements, and spectral (electronic, IR, EPR, mass) studies. The IR spectral data suggest the involvement of sulphur and azomethane nitrogen in coordination to the central metal ion. On the basis of spectral studies, an octahedral geometry has been assigned for Ni(II) complexes but a tetragonal geometry for Cu(II) complexes. The free ligand and its metal complexes have been tested in vitro against a number of microorganisms in order to assess their antimicrobial properties. PMID:18273385

Effects of Bifurcations on Aft-Fan Engine Nacelle Noise

NASA Technical Reports Server (NTRS)

Nark, Douglas M.; Farassat, Fereidoun; Pope, D. Stuart; Vatsa, Veer N.

2004-01-01

Aft-fan engine nacelle noise is a significant factor in the increasingly important issue of aircraft community noise. The ability to predict such noise within complex duct geometries is a valuable tool in studying possible noise attenuation methods. A recent example of code development for such predictions is the ducted fan noise propagation and radiation code CDUCT-LaRC. This work focuses on predicting the effects of geometry changes (i.e. bifurcations, pylons) on aft fan noise propagation. Beginning with simplified geometries, calculations show that bifurcations lead to scattering of acoustic energy into higher order modes. In addition, when circumferential mode number and the number of bifurcations are properly commensurate, bifurcations increase the relative importance of the plane wave mode near the exhaust plane of the bypass duct. This is particularly evident when the bypass duct surfaces include acoustic treatment. Calculations involving more complex geometries further illustrate that bifurcations and pylons clearly affect modal content, in both propagation and radiation calculations. Additionally, results show that consideration of acoustic radiation results may provide further insight into acoustic treatment effectiveness for situations in which modal decomposition may not be straightforward. The ability of CDUCT-LaRC to handle complex (non-axisymmetric) multi-block geometries, as well as axially and circumferentially segmented liners, allows investigation into the effects of geometric elements (bifurcations, pylons).

A study on axial and torsional resonant mode matching for a mechanical system with complex nonlinear geometries

NASA Astrophysics Data System (ADS)

Watson, Brett; Yeo, Leslie; Friend, James

2010-06-01

Making use of mechanical resonance has many benefits for the design of microscale devices. A key to successfully incorporating this phenomenon in the design of a device is to understand how the resonant frequencies of interest are affected by changes to the geometric parameters of the design. For simple geometric shapes, this is quite easy, but for complex nonlinear designs, it becomes significantly more complex. In this paper, two novel modeling techniques are demonstrated to extract the axial and torsional resonant frequencies of a complex nonlinear geometry. The first decomposes the complex geometry into easy to model components, while the second uses scaling techniques combined with the finite element method. Both models overcome problems associated with using current analytical methods as design tools, and enable a full investigation of how changes in the geometric parameters affect the resonant frequencies of interest. The benefit of such models is then demonstrated through their use in the design of a prototype piezoelectric ultrasonic resonant micromotor which has improved performance characteristics over previous prototypes.

Adaptively-refined overlapping grids for the numerical solution of systems of hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Brislawn, Kristi D.; Brown, David L.; Chesshire, Geoffrey S.; Saltzman, Jeffrey S.

1995-01-01

Adaptive mesh refinement (AMR) in conjunction with higher-order upwind finite-difference methods have been used effectively on a variety of problems in two and three dimensions. In this paper we introduce an approach for resolving problems that involve complex geometries in which resolution of boundary geometry is important. The complex geometry is represented by using the method of overlapping grids, while local resolution is obtained by refining each component grid with the AMR algorithm, appropriately generalized for this situation. The CMPGRD algorithm introduced by Chesshire and Henshaw is used to automatically generate the overlapping grid structure for the underlying mesh.

Variable stator radial turbine

NASA Technical Reports Server (NTRS)

Rogo, C.; Hajek, T.; Chen, A. G.

1984-01-01

A radial turbine stage with a variable area nozzle was investigated. A high work capacity turbine design with a known high performance base was modified to accept a fixed vane stagger angle moveable sidewall nozzle. The nozzle area was varied by moving the forward and rearward sidewalls. Diffusing and accelerating rotor inlet ramps were evaluated in combinations with hub and shroud rotor exit rings. Performance of contoured sidewalls and the location of the sidewall split line with respect to the rotor inlet was compared to the baseline. Performance and rotor exit survey data are presented for 31 different geometries. Detail survey data at the nozzle exit are given in contour plot format for five configurations. A data base is provided for a variable geometry concept that is a viable alternative to the more common pivoted vane variable geometry radial turbine.

The application of CFD to the modelling of fires in complex geometries

NASA Astrophysics Data System (ADS)

Burns, A. D.; Clarke, D. S.; Guilbert, P.; Jones, I. P.; Simcox, S.; Wilkes, N. S.

The application of Computational Fluid Dynamics (CFD) to industrial safety is a challenging activity. In particular it involves the interaction of several different physical processes, including turbulence, combustion, radiation, buoyancy, compressible flow and shock waves in complex three-dimensional geometries. In addition, there may be multi-phase effects arising, for example, from sprinkler systems for extinguishing fires. The FLOW3D software (1-3) from Computational Fluid Dynamics Services (CFDS) is in widespread use in industrial safety problems, both within AEA Technology, and also by CFDS's commercial customers, for example references (4-13). This paper discusses some other applications of FLOW3D to safety problems. These applications illustrate the coupling of the gas flows with radiation models and combustion models, particularly for complex geometries where simpler radiation models are not applicable.

Applications of Space-Filling-Curves to Cartesian Methods for CFD

NASA Technical Reports Server (NTRS)

Aftosmis, M. J.; Murman, S. M.; Berger, M. J.

2003-01-01

This paper presents a variety of novel uses of space-filling-curves (SFCs) for Cartesian mesh methods in CFD. While these techniques will be demonstrated using non-body-fitted Cartesian meshes, many are applicable on general body-fitted meshes-both structured and unstructured. We demonstrate the use of single theta(N log N) SFC-based reordering to produce single-pass (theta(N)) algorithms for mesh partitioning, multigrid coarsening, and inter-mesh interpolation. The intermesh interpolation operator has many practical applications including warm starts on modified geometry, or as an inter-grid transfer operator on remeshed regions in moving-body simulations Exploiting the compact construction of these operators, we further show that these algorithms are highly amenable to parallelization. Examples using the SFC-based mesh partitioner show nearly linear speedup to 640 CPUs even when using multigrid as a smoother. Partition statistics are presented showing that the SFC partitions are, on-average, within 15% of ideal even with only around 50,000 cells in each sub-domain. The inter-mesh interpolation operator also has linear asymptotic complexity and can be used to map a solution with N unknowns to another mesh with M unknowns with theta(M + N) operations. This capability is demonstrated both on moving-body simulations and in mapping solutions to perturbed meshes for control surface deflection or finite-difference-based gradient design methods.

Axisymmetric Plume Simulations with NASA's DSMC Analysis Code

NASA Technical Reports Server (NTRS)

Stewart, B. D.; Lumpkin, F. E., III

2012-01-01

A comparison of axisymmetric Direct Simulation Monte Carlo (DSMC) Analysis Code (DAC) results to analytic and Computational Fluid Dynamics (CFD) solutions in the near continuum regime and to 3D DAC solutions in the rarefied regime for expansion plumes into a vacuum is performed to investigate the validity of the newest DAC axisymmetric implementation. This new implementation, based on the standard DSMC axisymmetric approach where the representative molecules are allowed to move in all three dimensions but are rotated back to the plane of symmetry by the end of the move step, has been fully integrated into the 3D-based DAC code and therefore retains all of DAC s features, such as being able to compute flow over complex geometries and to model chemistry. Axisymmetric DAC results for a spherically symmetric isentropic expansion are in very good agreement with a source flow analytic solution in the continuum regime and show departure from equilibrium downstream of the estimated breakdown location. Axisymmetric density contours also compare favorably against CFD results for the R1E thruster while temperature contours depart from equilibrium very rapidly away from the estimated breakdown surface. Finally, axisymmetric and 3D DAC results are in very good agreement over the entire plume region and, as expected, this new axisymmetric implementation shows a significant reduction in computer resources required to achieve accurate simulations for this problem over the 3D simulations.

Synthesis, spectroscopic characterization, DNA interaction and antibacterial study of metal complexes of tetraazamacrocyclic Schiff base

NASA Astrophysics Data System (ADS)

Shakir, Mohammad; Khanam, Sadiqa; Firdaus, Farha; Latif, Abdul; Aatif, Mohammad; Al-Resayes, Saud I.

The template condensation reaction between benzil and 3,4-diaminotoulene resulted mononuclear 12-membered tetraimine macrocyclic complexes of the type, [MLCl2] [M = Co(II), Ni(II), Cu(II) and Zn(II)]. The synthesized complexes have been characterized on the basis of the results of elemental analysis, molar conductance, magnetic susceptibility measurements and spectroscopic studies viz. FT-IR, 1H and 13C NMR, FAB mass, UV-vis and EPR. An octahedral geometry has been envisaged for all these complexes, while a distorted octahedral geometry has been noticed for Cu(II) complex. Low conductivity data of all these complexes suggest their non-ionic nature. The interactive studies of these complexes with calf thymus DNA showed that the complexes are avid binders of calf thymus DNA. The in vitro antibacterial studies of these complexes screened against pathogenic bacteria proved them as growth inhibiting agents.

Handheld Delivery System for Modified Boron-Type Fire Extinguishment Agent

DTIC Science & Technology

1993-11-01

was to develop and test a handheld portable delivery system for use with the modified boron-type fire extinguishing agent for metal fires . B...BACKGROUND A need exists for an extinguishing agent and accompanying delivery system that are effective against complex geometry metal fires . A modified...agent and its delivery system have proven effective against complex geometry metal fires containing up to 200 pounds of magnesium metal. Further

Plume Characteristics of the Busek 600 W Hall Thruster

DTIC Science & Technology

2006-07-12

that can then be applied to estimate the effect of the energetic plume on complex spacecraft geometries. Early measurement of plume properties, such...produced a measurable effect on ion current density and plume divergence, experimentally showing an increase or decrease of ±15-20%. Ionic energy...can then be applied to estimate the effect of the energetic plume on complex spacecraft geometries. Early measurement of plume properties, such as plume

Synthetic aperture radar image formation for the moving-target and near-field bistatic cases

NASA Astrophysics Data System (ADS)

Ding, Yu

This dissertation addresses topics in two areas of synthetic aperture radar (SAR) image formation: time-frequency based SAR imaging of moving targets and a fast backprojection (BP) algorithm for near-field bistatic SAR imaging. SAR imaging of a moving target is a challenging task due to unknown motion of the target. We approach this problem in a theoretical way, by analyzing the Wigner-Ville distribution (WVD) based SAR imaging technique. We derive approximate closed-form expressions for the point-target response of the SAR imaging system, which quantify the image resolution, and show how the blurring in conventional SAR imaging can be eliminated, while the target shift still remains. Our analyses lead to accurate prediction of the target position in the reconstructed images. The derived expressions also enable us to further study additional aspects of WVD-based SAR imaging. Bistatic SAR imaging is more involved than the monostatic SAR case, because of the separation of the transmitter and the receiver, and possibly the changing bistatic geometry. For near-field bistatic SAR imaging, we develop a novel fast BP algorithm, motivated by a newly proposed fast BP algorithm in computer tomography. First we show that the BP algorithm is the spatial-domain counterpart of the benchmark o -- k algorithm in bistatic SAR imaging, yet it avoids the frequency-domain interpolation in the o -- k algorithm, which may cause artifacts in the reconstructed image. We then derive the band-limited property for BP methods in both monostatic and bistatic SAR imaging, which is the basis for developing the fast BP algorithm. We compare our algorithm with other frequency-domain based algorithms, and show that it achieves better reconstructed image quality, while having the same computational complexity as that of the frequency-domain based algorithms.

Representation of planar motion of complex joints by means of rolling pairs. Application to neck motion.

PubMed

Page, Alvaro; de Rosario, Helios; Gálvez, José A; Mata, Vicente

2011-02-24

We propose to model planar movements between two human segments by means of rolling-without-slipping kinematic pairs. We compute the path traced by the instantaneous center of rotation (ICR) as seen from the proximal and distal segments, thus obtaining the fixed and moving centrodes, respectively. The joint motion is then represented by the rolling-without-slipping of one centrode on the other. The resulting joint kinematic model is based on the real movement and accounts for nonfixed axes of rotation; therefore it could improve current models based on revolute pairs in those cases where joint movement implies displacement of the ICR. Previous authors have used the ICR to characterize human joint motion, but they only considered the fixed centrode. Such an approach is not adequate for reproducing motion because the fixed centrode by itself does not convey information about body position. The combination of the fixed and moving centrodes gathers the kinematic information needed to reproduce the position and velocities of moving bodies. To illustrate our method, we applied it to the flexion-extension movement of the head relative to the thorax. The model provides a good estimation of motion both for position variables (mean R(pos)=0.995) and for velocities (mean R(vel)=0.958). This approach is more realistic than other models of neck motion based on revolute pairs, such as the dual-pivot model. The geometry of the centrodes can provide some information about the nature of the movement. For instance, the ascending and descending curves of the fixed centrode suggest a sequential movement of the cervical vertebrae. Copyright © 2010 Elsevier Ltd. All rights reserved.

GPU accelerated study of heat transfer and fluid flow by lattice Boltzmann method on CUDA

NASA Astrophysics Data System (ADS)

Ren, Qinlong

Lattice Boltzmann method (LBM) has been developed as a powerful numerical approach to simulate the complex fluid flow and heat transfer phenomena during the past two decades. As a mesoscale method based on the kinetic theory, LBM has several advantages compared with traditional numerical methods such as physical representation of microscopic interactions, dealing with complex geometries and highly parallel nature. Lattice Boltzmann method has been applied to solve various fluid behaviors and heat transfer process like conjugate heat transfer, magnetic and electric field, diffusion and mixing process, chemical reactions, multiphase flow, phase change process, non-isothermal flow in porous medium, microfluidics, fluid-structure interactions in biological system and so on. In addition, as a non-body-conformal grid method, the immersed boundary method (IBM) could be applied to handle the complex or moving geometries in the domain. The immersed boundary method could be coupled with lattice Boltzmann method to study the heat transfer and fluid flow problems. Heat transfer and fluid flow are solved on Euler nodes by LBM while the complex solid geometries are captured by Lagrangian nodes using immersed boundary method. Parallel computing has been a popular topic for many decades to accelerate the computational speed in engineering and scientific fields. Today, almost all the laptop and desktop have central processing units (CPUs) with multiple cores which could be used for parallel computing. However, the cost of CPUs with hundreds of cores is still high which limits its capability of high performance computing on personal computer. Graphic processing units (GPU) is originally used for the computer video cards have been emerged as the most powerful high-performance workstation in recent years. Unlike the CPUs, the cost of GPU with thousands of cores is cheap. For example, the GPU (GeForce GTX TITAN) which is used in the current work has 2688 cores and the price is only 1,000 US dollars. The release of NVIDIA's CUDA architecture which includes both hardware and programming environment in 2007 makes GPU computing attractive. Due to its highly parallel nature, lattice Boltzmann method is successfully ported into GPU with a performance benefit during the recent years. In the current work, LBM CUDA code is developed for different fluid flow and heat transfer problems. In this dissertation, lattice Boltzmann method and immersed boundary method are used to study natural convection in an enclosure with an array of conduting obstacles, double-diffusive convection in a vertical cavity with Soret and Dufour effects, PCM melting process in a latent heat thermal energy storage system with internal fins, mixed convection in a lid-driven cavity with a sinusoidal cylinder, and AC electrothermal pumping in microfluidic systems on a CUDA computational platform. It is demonstrated that LBM is an efficient method to simulate complex heat transfer problems using GPU on CUDA.

Fisher equation for anisotropic diffusion: simulating South American human dispersals.

PubMed

Martino, Luis A; Osella, Ana; Dorso, Claudio; Lanata, José L

2007-09-01

The Fisher equation is commonly used to model population dynamics. This equation allows describing reaction-diffusion processes, considering both population growth and diffusion mechanism. Some results have been reported about modeling human dispersion, always assuming isotropic diffusion. Nevertheless, it is well-known that dispersion depends not only on the characteristics of the habitats where individuals are but also on the properties of the places where they intend to move, then isotropic approaches cannot adequately reproduce the evolution of the wave of advance of populations. Solutions to a Fisher equation are difficult to obtain for complex geometries, moreover, when anisotropy has to be considered and so few studies have been conducted in this direction. With this scope in mind, we present in this paper a solution for a Fisher equation, introducing anisotropy. We apply a finite difference method using the Crank-Nicholson approximation and analyze the results as a function of the characteristic parameters. Finally, this methodology is applied to model South American human dispersal.

Meshfree and efficient modeling of swimming cells

NASA Astrophysics Data System (ADS)

Gallagher, Meurig T.; Smith, David J.

2018-05-01

Locomotion in Stokes flow is an intensively studied problem because it describes important biological phenomena such as the motility of many species' sperm, bacteria, algae, and protozoa. Numerical computations can be challenging, particularly in three dimensions, due to the presence of moving boundaries and complex geometries; methods which combine ease of implementation and computational efficiency are therefore needed. A recently proposed method to discretize the regularized Stokeslet boundary integral equation without the need for a connected mesh is applied to the inertialess locomotion problem in Stokes flow. The mathematical formulation and key aspects of the computational implementation in matlab® or GNU Octave are described, followed by numerical experiments with biflagellate algae and multiple uniflagellate sperm swimming between no-slip surfaces, for which both swimming trajectories and flow fields are calculated. These computational experiments required minutes of time on modest hardware; an extensible implementation is provided in a GitHub repository. The nearest-neighbor discretization dramatically improves convergence and robustness, a key challenge in extending the regularized Stokeslet method to complicated three-dimensional biological fluid problems.

Simulating Fatigue Crack Growth in Spiral Bevel Gears

NASA Technical Reports Server (NTRS)

Spievak, Lisa E.; Wawrzynek, Paul A.; Ingraffea, Anthony R.

2000-01-01

The majority of helicopter transmission systems utilize spiral bevel gears to convert the horizontal power from the engine into vertical power for the rotor. Due to the cyclical loading on a gear's tooth, fatigue crack propagation can occur. In rotorcraft applications, a crack's trajectory determines whether the gear failure will be benign or catastrophic for the aircraft. As a result, the capability to predict crack growth in gears is significant. A spiral bevel gear's complex shape requires a three dimensional model of the geometry and cracks. The boundary element method in conjunction with linear elastic fracture mechanics theories is used to predict arbitrarily shaped three dimensional fatigue crack trajectories in a spiral bevel pinion under moving load conditions. The predictions are validated by comparison to experimental results. The sensitivity of the predictions to variations in loading conditions and crack growth rate model parameters is explored. Critical areas that must be understood in greater detail prior to predicting more accurate crack trajectories and crack growth rates in three dimensions are identified.

Tunable liquid optics: electrowetting-controlled liquid mirrors based on self-assembled Janus tiles.

PubMed

Bucaro, Michael A; Kolodner, Paul R; Taylor, J Ashley; Sidorenko, Alex; Aizenberg, Joanna; Krupenkin, Tom N

2009-04-09

In this paper, we describe a tunable, high-reflectivity optofluidic device based on self-assembly of anisotropically functionalized hexagonal micromirrors (Janus tiles) on the surface of an oil droplet to create a concave liquid mirror. The liquid mirror is deposited on a patterned transparent electrode that allows the focal length and axial position to be electrically controlled. The mirror is mechanically robust and retains its integrity even at high levels of vibrational excitation of the interface. The use of reflection instead of refraction overcomes the limited available refractive-index contrast between pairs of density-matched liquids, allowing stronger focusing than is possible for a liquid lens of the same geometry. This approach is compatible with optical instruments that could provide novel functionality-for example, a dynamic 3D projector, i.e., a light source which can scan an image onto a moving, nonplanar focal surface. Janus tiles with complex optical properties can be manufactured using our approach, thus potentially enabling a wide range of novel optical elements.

Tunable liquid optics: electrowetting-controlled liquid mirrors based on self-assembled Janus tiles

NASA Astrophysics Data System (ADS)

Krupenkin, Tom; Bucaro, Mike; Kolodner, Paul; Taylor, Ashley; Sidorenko, Alex; Aizenberg, Joanna

2009-03-01

In this work we describe a tunable, high-reflectivity optofluidic device based on self-assembly of anisotropically-functionalized hexagonal micromirrors (Janus tiles) on the surface of an oil droplet to create a concave liquid mirror. The liquid mirror is deposited on a patterned transparent electrode that allows the focal length and axial position to be electrically controlled. The mirror is mechanically robust and retains its integrity even at high levels of vibrational excitation of the interface. The use of reflection instead of refraction overcomes the limited available refractive-index contrast between pairs of density-matched liquids, allowing stronger focusing than is possible for a liquid lens of the same geometry. This approach is compatible with optical instruments that could provide novel functionality - for example, a dynamic 3D projector; i.e., a light source which can scan an image onto a moving, non-planar focal surface. Janus tiles with complex optical properties can be manufactured using our approach, thus potentially enabling a wide range of novel optical elements.

Influence of system size and solvent flow on the distribution of wormlike micelles in a contraction-expansion geometry

NASA Astrophysics Data System (ADS)

Stukan, M. R.; Boek, E. S.; Padding, J. T.; Crawshaw, J. P.

2008-05-01

Viscoelastic wormlike micelles are formed by surfactants assembling into elongated cylindrical structures. These structures respond to flow by aligning, breaking and reforming. Their response to the complex flow fields encountered in porous media is particularly rich. Here we use a realistic mesoscopic Brownian Dynamics model to investigate the flow of a viscoelastic surfactant (VES) fluid through individual pores idealized as a step expansion-contraction of size around one micron. In a previous study, we assumed the flow field to be Newtonian. Here we extend the work to include the non-Newtonian flow field previously obtained by experiment. The size of the simulations is also increased so that the pore is much larger than the radius of gyration of the micelles. For the non-Newtonian flow field at the higher flow rates in relatively large pores, the density of the micelles becomes markedly non-uniform. In this case, we find that the density in the large, slowly moving entry corner regions is substantially increased.

Programmable motion of DNA origami mechanisms.

PubMed

Marras, Alexander E; Zhou, Lifeng; Su, Hai-Jun; Castro, Carlos E

2015-01-20

DNA origami enables the precise fabrication of nanoscale geometries. We demonstrate an approach to engineer complex and reversible motion of nanoscale DNA origami machine elements. We first design, fabricate, and characterize the mechanical behavior of flexible DNA origami rotational and linear joints that integrate stiff double-stranded DNA components and flexible single-stranded DNA components to constrain motion along a single degree of freedom and demonstrate the ability to tune the flexibility and range of motion. Multiple joints with simple 1D motion were then integrated into higher order mechanisms. One mechanism is a crank-slider that couples rotational and linear motion, and the other is a Bennett linkage that moves between a compacted bundle and an expanded frame configuration with a constrained 3D motion path. Finally, we demonstrate distributed actuation of the linkage using DNA input strands to achieve reversible conformational changes of the entire structure on ∼ minute timescales. Our results demonstrate programmable motion of 2D and 3D DNA origami mechanisms constructed following a macroscopic machine design approach.

Programmable motion of DNA origami mechanisms

PubMed Central

Marras, Alexander E.; Zhou, Lifeng; Su, Hai-Jun; Castro, Carlos E.

2015-01-01

DNA origami enables the precise fabrication of nanoscale geometries. We demonstrate an approach to engineer complex and reversible motion of nanoscale DNA origami machine elements. We first design, fabricate, and characterize the mechanical behavior of flexible DNA origami rotational and linear joints that integrate stiff double-stranded DNA components and flexible single-stranded DNA components to constrain motion along a single degree of freedom and demonstrate the ability to tune the flexibility and range of motion. Multiple joints with simple 1D motion were then integrated into higher order mechanisms. One mechanism is a crank–slider that couples rotational and linear motion, and the other is a Bennett linkage that moves between a compacted bundle and an expanded frame configuration with a constrained 3D motion path. Finally, we demonstrate distributed actuation of the linkage using DNA input strands to achieve reversible conformational changes of the entire structure on ∼minute timescales. Our results demonstrate programmable motion of 2D and 3D DNA origami mechanisms constructed following a macroscopic machine design approach. PMID:25561550

Open Rotor Computational Aeroacoustic Analysis with an Immersed Boundary Method

NASA Technical Reports Server (NTRS)

Brehm, Christoph; Barad, Michael F.; Kiris, Cetin C.

2016-01-01

Reliable noise prediction capabilities are essential to enable novel fuel efficient open rotor designs that can meet the community and cabin noise standards. Toward this end, immersed boundary methods have reached a level of maturity so that they are being frequently employed for specific real world applications within NASA. This paper demonstrates that our higher-order immersed boundary method provides the ability for aeroacoustic analysis of wake-dominated flow fields generated by highly complex geometries. This is the first of a kind aeroacoustic simulation of an open rotor propulsion system employing an immersed boundary method. In addition to discussing the peculiarities of applying the immersed boundary method to this moving boundary problem, we will provide a detailed aeroacoustic analysis of the noise generation mechanisms encountered in the open rotor flow. The simulation data is compared to available experimental data and other computational results employing more conventional CFD methods. The noise generation mechanisms are analyzed employing spectral analysis, proper orthogonal decomposition and the causality method.

Tangible display systems: bringing virtual surfaces into the real world

NASA Astrophysics Data System (ADS)

Ferwerda, James A.

2012-03-01

We are developing tangible display systems that enable natural interaction with virtual surfaces. Tangible display systems are based on modern mobile devices that incorporate electronic image displays, graphics hardware, tracking systems, and digital cameras. Custom software allows the orientation of a device and the position of the observer to be tracked in real-time. Using this information, realistic images of surfaces with complex textures and material properties illuminated by environment-mapped lighting, can be rendered to the screen at interactive rates. Tilting or moving in front of the device produces realistic changes in surface lighting and material appearance. In this way, tangible displays allow virtual surfaces to be observed and manipulated as naturally as real ones, with the added benefit that surface geometry and material properties can be modified in real-time. We demonstrate the utility of tangible display systems in four application areas: material appearance research; computer-aided appearance design; enhanced access to digital library and museum collections; and new tools for digital artists.

Effects of elasticity and geometry on the locomotion of a model bacterium

NASA Astrophysics Data System (ADS)

Nguyen, Frank; Graham, Michael

2017-11-01

The locomotion of flagellated bacteria in viscous fluid provides the blueprint for a number of micro-scale engineering applications. The elasticities of both the hook protein (connecting cell body and flagellum) and the flagella themselves play a key role in determining the stability of locomotion. We use a coarse-grained discretization of elastic flagella connected to a rigid cell body to examine trajectories and flow fields for free swimmers. We indeed find that hook and/or flagellar buckling occurs above a critical flexibility relative to the swimmer's torque input. This renders straight swimming ineffective, though not necessarily undesirable in practice. Simulations with multiple flagella show bundling may partially stabilize the buckling effect. For a single flagellum or single bundle, we define a parameter space of characteristic angles tracking the overall time-averaged shape of the swimmer while also delineating stability boundaries between different modes of buckling. Ultimately our results may provide insight on how swimmers move through complex environments and how to design microrobotic swimmers for specific applications. NHS, GERS.

KETCindy--Collaboration of Cinderella and KETpic Reports on CADGME 2014 Conference Working Group

ERIC Educational Resources Information Center

Kaneko, Masataka; Yamashita, Satoshi; Kitahara, Kiyoshi; Maeda, Yoshifumi; Nakamura, Yasuyuki; Kortenkamp, Ulrich; Takato, Setsuo

2015-01-01

Dynamic Geometry Software (DGS) is a powerful tool which enables students to move geometric objects interactively. Through experimental simulations with DGS, mathematical facts and background mechanisms are accessible to students. However, especially when those facts and mechanisms are complicated, it is not so easy for some students to record and…

High speed imaging of dynamic processes with a switched source x-ray CT system

NASA Astrophysics Data System (ADS)

Thompson, William M.; Lionheart, William R. B.; Morton, Edward J.; Cunningham, Mike; Luggar, Russell D.

2015-05-01

Conventional x-ray computed tomography (CT) scanners are limited in their scanning speed by the mechanical constraints of their rotating gantries and as such do not provide the necessary temporal resolution for imaging of fast-moving dynamic processes, such as moving fluid flows. The Real Time Tomography (RTT) system is a family of fast cone beam CT scanners which instead use multiple fixed discrete sources and complete rings of detectors in an offset geometry. We demonstrate the potential of this system for use in the imaging of such high speed dynamic processes and give results using simulated and real experimental data. The unusual scanning geometry results in some challenges in image reconstruction, which are overcome using algebraic iterative reconstruction techniques and explicit regularisation. Through the use of a simple temporal regularisation term and by optimising the source firing pattern, we show that temporal resolution of the system may be increased at the expense of spatial resolution, which may be advantageous in some situations. Results are given showing temporal resolution of approximately 500 µs with simulated data and 3 ms with real experimental data.

XAFS study of copper(II) complexes with square planar and square pyramidal coordination geometries

NASA Astrophysics Data System (ADS)

Gaur, A.; Klysubun, W.; Nitin Nair, N.; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

2016-08-01

X-ray absorption fine structure of six Cu(II) complexes, Cu2(Clna)4 2H2O (1), Cu2(ac)4 2H2O (2), Cu2(phac)4 (pyz) (3), Cu2(bpy)2(na)2 H2O (ClO4) (4), Cu2(teen)4(OH)2(ClO4)2 (5) and Cu2(tmen)4(OH)2(ClO4)2 (6) (where ac, phac, pyz, bpy, na, teen, tmen = acetate, phenyl acetate, pyrazole, bipyridine, nicotinic acid, tetraethyethylenediamine, tetramethylethylenediamine, respectively), which were supposed to have square pyramidal and square planar coordination geometries have been investigated. The differences observed in the X-ray absorption near edge structure (XANES) features of the standard compounds having four, five and six coordination geometry points towards presence of square planar and square pyramidal geometry around Cu centre in the studied complexes. The presence of intense pre-edge feature in the spectra of four complexes, 1-4, indicates square pyramidal coordination. Another important XANES feature, present in complexes 5 and 6, is prominent shoulder in the rising part of edge whose intensity decreases in the presence of axial ligands and thus indicates four coordination in these complexes. Ab initio calculations were carried out for square planar and square pyramidal Cu centres to observe the variation of 4p density of states in the presence and absence of axial ligands. To determine the number and distance of scattering atoms around Cu centre in the complexes, EXAFS analysis has been done using the paths obtained from Cu(II) oxide model and an axial Cu-O path from model of a square pyramidal complex. The results obtained from EXAFS analysis have been reported which confirmed the inference drawn from XANES features. Thus, it has been shown that these paths from model of a standard compound can be used to determine the structural parameters for complexes having unknown structure.

DAB user's guide

NASA Technical Reports Server (NTRS)

Trosin, J.

1985-01-01

Use of the Display AButments (DAB) which plots PAN AIR geometries is presented. The DAB program creates hidden line displays of PAN AIR geometries and labels specified geometry components, such as abutments, networks, and network edges. It is used to alleviate the very time consuming and error prone abutment list checking phase of developing a valid PAN AIR geometry, and therefore represents a valuable tool for debugging complex PAN AIR geometry definitions. DAB is written in FORTRAN 77 and runs on a Digital Equipment Corporation VAX 11/780 under VMS. It utilizes a special color version of the SKETCH hidden line analysis routine.

Development and Evaluation of Processes for Deposition of Ni/Co-Cr-Aly (MCrAly) Coatings for Gas Turbine Components.

DTIC Science & Technology

1979-09-01

turbine engines demand increasingly higher operating tem- peratures in blades and vanes for greater thrust and efficiency. The turbine components...limitations; namely, expense and the inability to uniformly coat complex geometries and clustered turbine blade and vane airfoils . Thus, another means of...cost and the ability to uniformly coat turbine components of complex geometries and clustered turbine blade and vane airfoils .

Finite difference solutions of heat conduction problems in multi-layered bodies with complex geometries

NASA Technical Reports Server (NTRS)

Masiulaniec, K. C.; Keith, T. G., Jr.; Dewitt, K. J.

1984-01-01

A numerical procedure is presented for analyzing a wide variety of heat conduction problems in multilayered bodies having complex geometry. The method is based on a finite difference solution of the heat conduction equation using a body fitted coordinate system transformation. Solution techniques are described for steady and transient problems with and without internal energy generation. Results are found to compare favorably with several well known solutions.

Dynamics in thin folded polymer films

NASA Astrophysics Data System (ADS)

Croll, Andrew; Rozairo, Damith

Origami and Kirigami inspired structures depend on a complex interplay between geometry and material properties. While clearly important to the overall function, very little attention has focused on how extreme curvatures and singularities in real materials influence the overall dynamic behaviour of folded structures. In this work we use a set of three polymer thin films in order to closely examine the interaction of material and geometry. Specifically, we use polydimethylsiloxane (PDMS), polystyrene (PS) and polycarbonate (PC) thin films which we subject to loading in several model geometries of varying complexity. Depending on the material, vastly different responses are noted in our experiments; D-cones can annihilate, cut or lead to a crumpling cascade when pushed through a film. Remarkably, order can be generated with additional perturbation. Finally, the role of adhesion in complex folded structures can be addressed. AFOSR under the Young Investigator Program (FA9550-15-1-0168).

Length dependence of electron transport through molecular wires--a first principles perspective.

PubMed

Khoo, Khoong Hong; Chen, Yifeng; Li, Suchun; Quek, Su Ying

2015-01-07

One-dimensional wires constitute a fundamental building block in nanoscale electronics. However, truly one-dimensional metallic wires do not exist due to Peierls distortion. Molecular wires come close to being stable one-dimensional wires, but are typically semiconductors, with charge transport occurring via tunneling or thermally-activated hopping. In this review, we discuss electron transport through molecular wires, from a theoretical, quantum mechanical perspective based on first principles. We focus specifically on the off-resonant tunneling regime, applicable to shorter molecular wires (<∼4-5 nm) where quantum mechanics dictates electron transport. Here, conductance decays exponentially with the wire length, with an exponential decay constant, beta, that is independent of temperature. Different levels of first principles theory are discussed, starting with the computational workhorse - density functional theory (DFT), and moving on to many-electron GW methods as well as GW-inspired DFT + Sigma calculations. These different levels of theory are applied in two major computational frameworks - complex band structure (CBS) calculations to estimate the tunneling decay constant, beta, and Landauer-Buttiker transport calculations that consider explicitly the effects of contact geometry, and compute the transmission spectra directly. In general, for the same level of theory, the Landauer-Buttiker calculations give more quantitative values of beta than the CBS calculations. However, the CBS calculations have a long history and are particularly useful for quick estimates of beta. Comparing different levels of theory, it is clear that GW and DFT + Sigma calculations give significantly improved agreement with experiment compared to DFT, especially for the conductance values. Quantitative agreement can also be obtained for the Seebeck coefficient - another independent probe of electron transport. This excellent agreement provides confirmative evidence of off-resonant tunneling in the systems under investigation. Calculations show that the tunneling decay constant beta is a robust quantity that does not depend on details of the contact geometry, provided that the same contact geometry is used for all molecular lengths considered. However, because conductance is sensitive to contact geometry, values of beta obtained by considering conductance values where the contact geometry is changing with the molecular junction length can be quite different. Experimentally measured values of beta in general compare well with beta obtained using DFT + Sigma and GW transport calculations, while discrepancies can be attributed to changes in the experimental contact geometries with molecular length. This review also summarizes experimental and theoretical efforts towards finding perfect molecular wires with high conductance and small beta values.

A new experiment-independent mechanism to persistify and serve the detector geometry of ATLAS

NASA Astrophysics Data System (ADS)

Bianchi, Riccardo Maria; Boudreau, Joseph; Vukotic, Ilija

2017-10-01

The complex geometry of the whole detector of the ATLAS experiment at LHC is currently stored only in custom online databases, from which it is built on-the-fly on request. Accessing the online geometry guarantees accessing the latest version of the detector description, but requires the setup of the full ATLAS software framework “Athena”, which provides the online services and the tools to retrieve the data from the database. This operation is cumbersome and slows down the applications that need to access the geometry. Moreover, all applications that need to access the detector geometry need to be built and run on the same platform as the ATLAS framework, preventing the usage of the actual detector geometry in stand-alone applications. Here we propose a new mechanism to persistify (in software development in general, and in HEP computing in particular, persistifying means taking an object which lives in memory only - for example because it was built on-the-fly while processing the experimental data, - serializing it and storing it on disk as a persistent object) and serve the geometry of HEP experiments. The new mechanism is composed by a new file format and the modules to make use of it. The new file format allows to store the whole detector description locally in a file, and it is especially optimized to describe large complex detectors with the minimum file size, making use of shared instances and storing compressed representations of geometry transformations. Then, the detector description can be read back in, to fully restore the in-memory geometry tree. Moreover, a dedicated REST API is being designed and developed to serve the geometry in standard exchange formats like JSON, to let users and applications download specific partial geometry information. With this new geometry persistification a new generation of applications could be developed, which can use the actual detector geometry while being platform-independent and experiment-independent.

On a Microscopic Representation of Space-Time V

NASA Astrophysics Data System (ADS)

Dahm, R.

2017-01-01

In previous parts of this publication series, starting from the Dirac algebra and SU*(4), the ’dual’ compact rank-3 group SU(4) and Lie theory, we have developed some arguments and the reasoning to use (real) projective and (line) Complex geometry directly. Here, we want to extend this approach further in terms of line and Complex geometry and give some analytical examples. As such, we start from quadratic Complexe which we’ve identified in parts III and IV already as yielding naturally the ’light cone’ x_12 + x_22 + x_32 - x_02 = 0 when being related to (homogeneous) point coordinates x_α ^2 and infinitesimal dynamics by tetrahedral Complexe (or line elements). This introduces naturally projective transformations by preserving anharmonic ratios. We summarize some old work of Plücker relating quadratic Complexe to optics and discuss briefly their relation to spherical (and Schrödinger-type) equations as well as an obvious interpretation based on homogeneous coordinates and relations to conics and second order surfaces. Discussing (linear) symplectic symmetry and line coordinates, the main purpose and thread within this paper, however, is the identification and discussion of special relativity as direct invariance properties of line/Complex coordinates as well as their relation to ’quantum field theory’ by complexification of point coordinates or Complexe. This can be established by the Lie mapping1 which relates lines/Complexe to sphere geometry so that SU(2), SU(2)×U(1), SU(2)×SU(2) and the Dirac spinor description emerge without additional assumptions. We give a short outlook in that quadratic Complexe are related to dynamics e.g. power expressions in terms of six-vector products of Complexe, and action principles may be applied. (Quadratic) products like {Fμ ν }{Fμ ν }{{ or }}{Fα {{ }μ ν }}Fμ ν ^α ,1 ≤ α ≤ 3 are natural quadratic Complex expressions which may be extended by line constraints λk · ɛ = 0 with respect to an ’action principle’ so that we identify ’quantum field theory’ with projective or line/Complex geometry having applied the Lie mapping.

On the Influence of Material Parameters in a Complex Material Model for Powder Compaction

NASA Astrophysics Data System (ADS)

Staf, Hjalmar; Lindskog, Per; Andersson, Daniel C.; Larsson, Per-Lennart

2016-10-01

Parameters in a complex material model for powder compaction, based on a continuum mechanics approach, are evaluated using real insert geometries. The parameter sensitivity with respect to density and stress after compaction, pertinent to a wide range of geometries, is studied in order to investigate completeness and limitations of the material model. Finite element simulations with varied material parameters are used to build surrogate models for the sensitivity study. The conclusion from this analysis is that a simplification of the material model is relevant, especially for simple insert geometries. Parameters linked to anisotropy and the plastic strain evolution angle have a small impact on the final result.

VoxelMages: a general-purpose graphical interface for designing geometries and processing DICOM images for PENELOPE.

PubMed

Giménez-Alventosa, V; Ballester, F; Vijande, J

2016-12-01

The design and construction of geometries for Monte Carlo calculations is an error-prone, time-consuming, and complex step in simulations describing particle interactions and transport in the field of medical physics. The software VoxelMages has been developed to help the user in this task. It allows to design complex geometries and to process DICOM image files for simulations with the general-purpose Monte Carlo code PENELOPE in an easy and straightforward way. VoxelMages also allows to import DICOM-RT structure contour information as delivered by a treatment planning system. Its main characteristics, usage and performance benchmarking are described in detail. Copyright © 2016 Elsevier Ltd. All rights reserved.

“Agility” - Complexity Description in a New Dimension applied for Laser Cutting

NASA Astrophysics Data System (ADS)

Bartels, F.; Suess, B.; Wagner, A.; Hauptmann, J.; Wetzig, A.; Beyer, E.

How to describe or to compare the complexity of industrial upcoming part geometries in laser-cutting? This question is essential for defining machine dynamics or kinematic structures for efficient use of the technological cutting-potential which is given by modern beam sources. Solid-state lasers as well as CO2 lasers offer, especially in thin materials, the opportunity of high cutting velocities. Considering the mean velocity on cutting geometries, it is significantly below the technological limitations. The characterization of cutting geometries by means of the agility as well as the application for laser-cutting will be introduced. The identification of efficient dynamic constellations will be shown as basic principle for designing future machine structures.

A geometric modeler based on a dual-geometry representation polyhedra and rational b-splines

NASA Technical Reports Server (NTRS)

Klosterman, A. L.

1984-01-01

For speed and data base reasons, solid geometric modeling of large complex practical systems is usually approximated by a polyhedra representation. Precise parametric surface and implicit algebraic modelers are available but it is not yet practical to model the same level of system complexity with these precise modelers. In response to this contrast the GEOMOD geometric modeling system was built so that a polyhedra abstraction of the geometry would be available for interactive modeling without losing the precise definition of the geometry. Part of the reason that polyhedra modelers are effective is that all bounded surfaces can be represented in a single canonical format (i.e., sets of planar polygons). This permits a very simple and compact data structure. Nonuniform rational B-splines are currently the best representation to describe a very large class of geometry precisely with one canonical format. The specific capabilities of the modeler are described.

Lamb wave propagation in a restricted geometry composite pi-joint specimen

NASA Astrophysics Data System (ADS)

Blackshire, James L.; Soni, Som

2012-05-01

The propagation of elastic waves in a material can involve a number of complex physical phenomena, resulting in both subtle and dramatic effects on detected signal content. In recent years, the use of advanced methods for characterizing and imaging elastic wave propagation and scattering processes has increased, where for example the use of scanning laser vibrometry and advanced computational models have been used very effectively to identify propagating modes, scattering phenomena, and damage feature interactions. In the present effort, the propagation of Lamb waves within a narrow, constrained geometry composite pi-joint structure are studied using 3D finite element models and scanning laser vibrometry measurements, where the effects of varying sample thickness, complex joint curvatures, and restricted structure geometries are highlighted, and a direct comparison of computational and experimental results are provided for simulated and realistic geometry composite pi-joint samples.

Modeling electrokinetic flows by consistent implicit incompressible smoothed particle hydrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Wenxiao; Kim, Kyungjoo; Perego, Mauro

2017-04-01

We present an efficient implicit incompressible smoothed particle hydrodynamics (I2SPH) discretization of Navier-Stokes, Poisson-Boltzmann, and advection-diffusion equations subject to Dirichlet or Robin boundary conditions. It is applied to model various two and three dimensional electrokinetic flows in simple or complex geometries. The I2SPH's accuracy and convergence are examined via comparison with analytical solutions, grid-based numerical solutions, or empirical models. The new method provides a framework to explore broader applications of SPH in microfluidics and complex fluids with charged objects, such as colloids and biomolecules, in arbitrary complex geometries.

Rearrangement moves on rooted phylogenetic networks

PubMed Central

Gambette, Philippe; van Iersel, Leo; Jones, Mark; Scornavacca, Celine

2017-01-01

Phylogenetic tree reconstruction is usually done by local search heuristics that explore the space of the possible tree topologies via simple rearrangements of their structure. Tree rearrangement heuristics have been used in combination with practically all optimization criteria in use, from maximum likelihood and parsimony to distance-based principles, and in a Bayesian context. Their basic components are rearrangement moves that specify all possible ways of generating alternative phylogenies from a given one, and whose fundamental property is to be able to transform, by repeated application, any phylogeny into any other phylogeny. Despite their long tradition in tree-based phylogenetics, very little research has gone into studying similar rearrangement operations for phylogenetic network—that is, phylogenies explicitly representing scenarios that include reticulate events such as hybridization, horizontal gene transfer, population admixture, and recombination. To fill this gap, we propose “horizontal” moves that ensure that every network of a certain complexity can be reached from any other network of the same complexity, and “vertical” moves that ensure reachability between networks of different complexities. When applied to phylogenetic trees, our horizontal moves—named rNNI and rSPR—reduce to the best-known moves on rooted phylogenetic trees, nearest-neighbor interchange and rooted subtree pruning and regrafting. Besides a number of reachability results—separating the contributions of horizontal and vertical moves—we prove that rNNI moves are local versions of rSPR moves, and provide bounds on the sizes of the rNNI neighborhoods. The paper focuses on the most biologically meaningful versions of phylogenetic networks, where edges are oriented and reticulation events clearly identified. Moreover, our rearrangement moves are robust to the fact that networks with higher complexity usually allow a better fit with the data. Our goal is to provide a solid basis for practical phylogenetic network reconstruction. PMID:28763439

Moving bed reactor setup to study complex gas-solid reactions.

PubMed

Gupta, Puneet; Velazquez-Vargas, Luis G; Valentine, Charles; Fan, Liang-Shih

2007-08-01

A moving bed scale reactor setup for studying complex gas-solid reactions has been designed in order to obtain kinetic data for scale-up purpose. In this bench scale reactor setup, gas and solid reactants can be contacted in a cocurrent and countercurrent manner at high temperatures. Gas and solid sampling can be performed through the reactor bed with their composition profiles determined at steady state. The reactor setup can be used to evaluate and corroborate model parameters accounting for intrinsic reaction rates in both simple and complex gas-solid reaction systems. The moving bed design allows experimentation over a variety of gas and solid compositions in a single experiment unlike differential bed reactors where the gas composition is usually fixed. The data obtained from the reactor can also be used for direct scale-up of designs for moving bed reactors.

Eye tracking a self-moved target with complex hand-target dynamics

PubMed Central

Landelle, Caroline; Montagnini, Anna; Madelain, Laurent

2016-01-01

Previous work has shown that the ability to track with the eye a moving target is substantially improved when the target is self-moved by the subject's hand compared with when being externally moved. Here, we explored a situation in which the mapping between hand movement and target motion was perturbed by simulating an elastic relationship between the hand and target. Our objective was to determine whether the predictive mechanisms driving eye-hand coordination could be updated to accommodate this complex hand-target dynamics. To fully appreciate the behavioral effects of this perturbation, we compared eye tracking performance when self-moving a target with a rigid mapping (simple) and a spring mapping as well as when the subject tracked target trajectories that he/she had previously generated when using the rigid or spring mapping. Concerning the rigid mapping, our results confirmed that smooth pursuit was more accurate when the target was self-moved than externally moved. In contrast, with the spring mapping, eye tracking had initially similar low spatial accuracy (though shorter temporal lag) in the self versus externally moved conditions. However, within ∼5 min of practice, smooth pursuit improved in the self-moved spring condition, up to a level similar to the self-moved rigid condition. Subsequently, when the mapping unexpectedly switched from spring to rigid, the eye initially followed the expected target trajectory and not the real one, thereby suggesting that subjects used an internal representation of the new hand-target dynamics. Overall, these results emphasize the stunning adaptability of smooth pursuit when self-maneuvering objects with complex dynamics. PMID:27466129

Integrability of geodesics in near-horizon extremal geometries: Case of Myers-Perry black holes in arbitrary dimensions

NASA Astrophysics Data System (ADS)

Demirchian, Hovhannes; Nersessian, Armen; Sadeghian, Saeedeh; Sheikh-Jabbari, M. M.

2018-05-01

We investigate dynamics of probe particles moving in the near-horizon limit of extremal Myers-Perry black holes in arbitrary dimensions. Employing ellipsoidal coordinates we show that this problem is integrable and separable, extending the results of the odd dimensional case discussed by Hakobyan et al. [Phys. Lett. B 772, 586 (2017)., 10.1016/j.physletb.2017.07.028]. We find the general solution of the Hamilton-Jacobi equations for these systems and present explicit expressions for the Liouville integrals and discuss Killing tensors and the associated constants of motion. We analyze special cases of the background near-horizon geometry were the system possesses more constants of motion and is hence superintegrable. Finally, we consider a near-horizon extremal vanishing horizon case which happens for Myers-Perry black holes in odd dimensions and show that geodesic equations on this geometry are also separable and work out its integrals of motion.

Winds from T Tauri stars. II - Balmer line profiles for inner disk winds

NASA Technical Reports Server (NTRS)

Calvet, Nuria; Hartmann, Lee; Hewett, Robert

1992-01-01

Results are presented of calculations of Balmer emission line profiles using escape probability methods for T Tauri wind models with nonspherically symmetric geometry. The wind is assumed to originate in the inner regions of an accretion disk surrounding the T Tauri star, and flows outward in a 'cone' geometry. Two types of wind models are considered, both with monotonically increasing expansion velocities as a function of radial distance. For flows with large turbulent velocities, such as the HF Alfven wave-driven wind models, the effect of cone geometry is to increase the blue wing emission, and to move the absorption reversal close to line center. Line profiles for a wind model rotating with the same angular velocity as the inner disk are also calculated. The Balmer lines of this model are significantly broader than observed in most objects, suggesting that the observed emission lines do not arise in a region rotating at Keplerian velocity.

Holography for a De Sitter-Esque geometry

NASA Astrophysics Data System (ADS)

Anninos, Dionysios; de Buyl, Sophie; Detournay, Stéphane

2011-05-01

Warped dS3 arises as a solution to topologically massive gravity (TMG) with positive cosmological constant +1/ ℓ 2 and Chern-Simons coefficient 1/ μ in the region μ 2 ℓ 2 < 27. It is given by a real line fibration over two-dimensional de Sitter space and is equivalent to the rotating Nariai geometry at fixed polar angle. We study the thermodynamic and asymptotic structure of a family of geometries with warped dS3 asymptotics. Interestingly, these solutions have both a cosmological horizon and an internal one, and their entropy is unbounded from above unlike black holes in regular de Sitter space. The asymptotic symmetry group resides at future infinity and is given by a semi-direct product of a Virasoro algebra and a current algebra. The right moving central charge vanishes when μ 2 ℓ 2 = 27/5. We discuss the possible holographic interpretation of these de Sitter-esque spacetimes.

URDME: a modular framework for stochastic simulation of reaction-transport processes in complex geometries.

PubMed

Drawert, Brian; Engblom, Stefan; Hellander, Andreas

2012-06-22

Experiments in silico using stochastic reaction-diffusion models have emerged as an important tool in molecular systems biology. Designing computational software for such applications poses several challenges. Firstly, realistic lattice-based modeling for biological applications requires a consistent way of handling complex geometries, including curved inner- and outer boundaries. Secondly, spatiotemporal stochastic simulations are computationally expensive due to the fast time scales of individual reaction- and diffusion events when compared to the biological phenomena of actual interest. We therefore argue that simulation software needs to be both computationally efficient, employing sophisticated algorithms, yet in the same time flexible in order to meet present and future needs of increasingly complex biological modeling. We have developed URDME, a flexible software framework for general stochastic reaction-transport modeling and simulation. URDME uses Unstructured triangular and tetrahedral meshes to resolve general geometries, and relies on the Reaction-Diffusion Master Equation formalism to model the processes under study. An interface to a mature geometry and mesh handling external software (Comsol Multiphysics) provides for a stable and interactive environment for model construction. The core simulation routines are logically separated from the model building interface and written in a low-level language for computational efficiency. The connection to the geometry handling software is realized via a Matlab interface which facilitates script computing, data management, and post-processing. For practitioners, the software therefore behaves much as an interactive Matlab toolbox. At the same time, it is possible to modify and extend URDME with newly developed simulation routines. Since the overall design effectively hides the complexity of managing the geometry and meshes, this means that newly developed methods may be tested in a realistic setting already at an early stage of development. In this paper we demonstrate, in a series of examples with high relevance to the molecular systems biology community, that the proposed software framework is a useful tool for both practitioners and developers of spatial stochastic simulation algorithms. Through the combined efforts of algorithm development and improved modeling accuracy, increasingly complex biological models become feasible to study through computational methods. URDME is freely available at http://www.urdme.org.

Sparsity-promoting inversion for modeling of irregular volcanic deformation source

NASA Astrophysics Data System (ADS)

Zhai, G.; Shirzaei, M.

2016-12-01

Kīlauea volcano, Hawaíi Island, has a complex magmatic system. Nonetheless, kinematic models of the summit reservoir have so far been limited to first-order analytical solutions with pre-determined geometry. To investigate the complex geometry and kinematics of the summit reservoir, we apply a multitrack multitemporal wavelet-based InSAR (Interferometric Synthetic Aperture Radar) algorithm and a geometry-free time-dependent modeling scheme considering a superposition of point centers of dilatation (PCDs). Applying Principal Component Analysis (PCA) to the time-dependent source model, six spatially independent deformation zones (i.e., reservoirs) are identified, whose locations are consistent with previous studies. Time-dependence of the model allows also identifying periods of correlated or anti-correlated behaviors between reservoirs. Hence, we suggest that likely the reservoir are connected and form a complex magmatic reservoir [Zhai and Shirzaei, 2016]. To obtain a physically-meaningful representation of the complex reservoir, we devise a new sparsity-promoting modeling scheme assuming active magma bodies are well-localized melt accumulations (i.e., outliers in background crust). The major steps include inverting surface deformation data using a hybrid L-1 and L-2 norm regularization approach to solve for sparse volume change distribution and then implementing a BEM based method to solve for opening distribution on a triangular mesh representing the complex reservoir. Using this approach, we are able to constrain the internal excess pressure of magma body with irregular geometry, satisfying uniformly pressurized boundary condition on the surface of magma chamber. The inversion method with sparsity constraint is tested using five synthetic source geometries, including torus, prolate ellipsoid, and sphere as well as horizontal and vertical L-shape bodies. The results show that source dimension, depth and shape are well recovered. Afterward, we apply this modeling scheme to deformation observed at Kilauea summit to constrain the magmatic source geometry, and revise the kinematics of Kilauea's shallow plumbing system. Such a model is valuable for understanding the physical processes in a magmatic reservoir and the method can readily be applied to other volcanic settings.

Experimental Approach for the Uncertainty Assessment of 3D Complex Geometry Dimensional Measurements Using Computed Tomography at the mm and Sub-mm Scales

PubMed Central

Jiménez, Roberto; Torralba, Marta; Yagüe-Fabra, José A.; Ontiveros, Sinué; Tosello, Guido

2017-01-01

The dimensional verification of miniaturized components with 3D complex geometries is particularly challenging. Computed Tomography (CT) can represent a suitable alternative solution to micro metrology tools based on optical and tactile techniques. However, the establishment of CT systems’ traceability when measuring 3D complex geometries is still an open issue. In this work, an alternative method for the measurement uncertainty assessment of 3D complex geometries by using CT is presented. The method is based on the micro-CT system Maximum Permissible Error (MPE) estimation, determined experimentally by using several calibrated reference artefacts. The main advantage of the presented method is that a previous calibration of the component by a more accurate Coordinate Measuring System (CMS) is not needed. In fact, such CMS would still hold all the typical limitations of optical and tactile techniques, particularly when measuring miniaturized components with complex 3D geometries and their inability to measure inner parts. To validate the presented method, the most accepted standard currently available for CT sensors, the Verein Deutscher Ingenieure/Verband Deutscher Elektrotechniker (VDI/VDE) guideline 2630-2.1 is applied. Considering the high number of influence factors in CT and their impact on the measuring result, two different techniques for surface extraction are also considered to obtain a realistic determination of the influence of data processing on uncertainty. The uncertainty assessment of a workpiece used for micro mechanical material testing is firstly used to confirm the method, due to its feasible calibration by an optical CMS. Secondly, the measurement of a miniaturized dental file with 3D complex geometry is carried out. The estimated uncertainties are eventually compared with the component’s calibration and the micro manufacturing tolerances to demonstrate the suitability of the presented CT calibration procedure. The 2U/T ratios resulting from the validation workpiece are, respectively, 0.27 (VDI) and 0.35 (MPE), by assuring tolerances in the range of ± 20–30 µm. For the dental file, the EN < 1 value analysis is favorable in the majority of the cases (70.4%) and 2U/T is equal to 0.31 for sub-mm measurands (L < 1 mm and tolerance intervals of ± 40–80 µm). PMID:28509869

Experimental Approach for the Uncertainty Assessment of 3D Complex Geometry Dimensional Measurements Using Computed Tomography at the mm and Sub-mm Scales.

PubMed

Jiménez, Roberto; Torralba, Marta; Yagüe-Fabra, José A; Ontiveros, Sinué; Tosello, Guido

2017-05-16

The dimensional verification of miniaturized components with 3D complex geometries is particularly challenging. Computed Tomography (CT) can represent a suitable alternative solution to micro metrology tools based on optical and tactile techniques. However, the establishment of CT systems' traceability when measuring 3D complex geometries is still an open issue. In this work, an alternative method for the measurement uncertainty assessment of 3D complex geometries by using CT is presented. The method is based on the micro-CT system Maximum Permissible Error (MPE) estimation, determined experimentally by using several calibrated reference artefacts. The main advantage of the presented method is that a previous calibration of the component by a more accurate Coordinate Measuring System (CMS) is not needed. In fact, such CMS would still hold all the typical limitations of optical and tactile techniques, particularly when measuring miniaturized components with complex 3D geometries and their inability to measure inner parts. To validate the presented method, the most accepted standard currently available for CT sensors, the Verein Deutscher Ingenieure/Verband Deutscher Elektrotechniker (VDI/VDE) guideline 2630-2.1 is applied. Considering the high number of influence factors in CT and their impact on the measuring result, two different techniques for surface extraction are also considered to obtain a realistic determination of the influence of data processing on uncertainty. The uncertainty assessment of a workpiece used for micro mechanical material testing is firstly used to confirm the method, due to its feasible calibration by an optical CMS. Secondly, the measurement of a miniaturized dental file with 3D complex geometry is carried out. The estimated uncertainties are eventually compared with the component's calibration and the micro manufacturing tolerances to demonstrate the suitability of the presented CT calibration procedure. The 2U/T ratios resulting from the validation workpiece are, respectively, 0.27 (VDI) and 0.35 (MPE), by assuring tolerances in the range of ± 20-30 µm. For the dental file, the E N < 1 value analysis is favorable in the majority of the cases (70.4%) and 2U/T is equal to 0.31 for sub-mm measurands (L < 1 mm and tolerance intervals of ± 40-80 µm).

Aeroacoustic features of coupled twin jets with spanwise oblique shock-cells

NASA Astrophysics Data System (ADS)

Panickar, Praveen; Srinivasan, K.; Raman, Ganesh

2004-11-01

This paper experimentally investigates the aeroacoustics of coupled twin jets of complex geometry. The study was motivated by the fact that twin jet configurations that are commonly used in aircraft propulsion systems can undergo unpredictable resonant coupling resulting in structural damage. Further, nozzles with spanwise oblique exits are increasingly being considered for their aerodynamic and acoustic advantages, as well as stealth benefits. Although several studies have examined aspects of twin jet coupling, very little data is available on the coupling of jets from nozzles of complex geometry. Our study focuses on twin convergent nozzles with an aspect ratio of 7 with spanwise oblique exits operated over the fully expanded Mach number range from 1.3 to 1.6. The inter-nozzle spacing ( s/ h) was varied from 7.4 to 13.5. However, the focus remained on the lower spacing that is more representative of aircraft applications. Several interesting results have emerged from this study: (1) Coupling of twin nozzles with a beveled exit was observed only when the beveled edges faced each other and the nozzles formed a 'V' shape in the inter-nozzle region. Specifically, if the two beveled edges were oriented away from each other to form an arrowhead ('A') shape no coupling was observed. (2) Despite the presence of spanwise antisymmetric, spanwise symmetric and spanwise oblique modes for the single nozzles, only the first two modes were evident in the coupling. (3) The symmetric coupling produced unsteady pressures in the inter-nozzle region that were up to 7.5 dB higher than the antisymmetrically coupled case. (4) Dynamic tests conducted by moving the nozzles apart while they were operating or by continuously changing the stagnation pressure at fixed inter-nozzle spacing revealed that coupling modes could co-exist at non-harmonically related frequencies. These dynamic tests reproduced the static test data. (5) The frequency of both coupling modes agrees with the higher order waveguide modes based on Tam's theory. (6) Differences in broadband shock noise between the 'V' and 'A' configurations were also documented. Our results provide an understanding of complex twin jet coupling and will serve as benchmark data for validating computational models.

On the structure and spin states of Fe(III)-EDDHA complexes.

PubMed

Gómez-Gallego, Mar; Fernández, Israel; Pellico, Daniel; Gutiérrez, Angel; Sierra, Miguel A; Lucena, Juan J

2006-07-10

DFT methods are suitable for predicting both the geometries and spin states of EDDHA-Fe(III) complexes. Thus, extensive DFT computational studies have shown that the racemic-Fe(III) EDDHA complex is more stable than the meso isomer, regardless of the spin state of the central iron atom. A comparison of the energy values obtained for the complexes under study has also shown that high-spin (S = 5/2) complexes are more stable than low-spin (S = 1/2) ones. These computational results matched the experimental results of the magnetic susceptibility values of both isomers. In both cases, their behavior has been fitted as being due to isolated high-spin Fe(III) in a distorted octahedral environment. The study of the correlation diagram also confirms the high-spin iron in complex 2b. The geometry optimization of these complexes performed with the standard 3-21G* basis set for hydrogen, carbon, oxygen, and nitrogen and the Hay-Wadt small-core effective core potential (ECP) including a double-xi valence basis set for iron, followed by single-point energy refinement with the 6-31G* basis set, is suitable for predicting both the geometries and the spin-states of EDDHA-Fe(III) complexes. The presence of a high-spin iron in Fe(III)-EDDHA complexes could be the key to understanding their lack of reactivity in electron-transfer processes, either chemically or electrochemically induced, and their resistance to photodegradation.

Oxidation Chemistry of Inorganic Benzene Complexes.

PubMed

Fleischmann, Martin; Dielmann, Fabian; Balázs, Gábor; Scheer, Manfred

2016-10-17

The oxidation of the 28 VE cyclo-E 6 triple-decker complexes [(Cp R Mo) 2 (μ,η 6 :η 6 -E 6 )] (E=P, Cp R =Cp(2 a), Cp*(2 b), Cp Bn (2 c)=C 5 (CH 2 Ph) 5 ; E=As, Cp R =Cp*(3)) by Cu + or Ag + leads to cationic 27 VE complexes that retain their general triple-decker geometry in the solid state. The obtained products have been characterized by cyclic voltammetry (CV), EPR, Evans NMR, multinuclear NMR spectroscopy, MS, and structural analysis by single-crystal X-ray diffraction. The cyclo-E 6 middle decks of the oxidized complexes are distorted to a quinoid (2 a) or bisallylic (2 b, 2 c, 3) geometry. DFT calculations of 2 a, 2 b, and 3 persistently result in the bisallylic distortion as the minimum geometry and show that the oxidation leads to a depopulation of the σ-system of the cyclo-E 6 ligands in 2 a-3. Among the starting complexes, 2 c is reported for the first time including its preparation and full characterization. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pd (II) complexes of bidentate chalcone ligands: Synthesis, spectral, thermal, antitumor, antioxidant, antimicrobial, DFT and SAR studies

NASA Astrophysics Data System (ADS)

Gaber, Mohamed; Awad, Mohamed K.; Atlam, Faten M.

2018-05-01

The ligation behavior of two chalcone ligands namely, (E)-3-(4-chlorophenyl)-1-(pyridin-2-yl)prop-2-en-1-one (L1) and (E)-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one (L2), towards the Pd(II) ion is determined. The structures of the complexes are elucidated by elemental analysis, spectral methods (IR, electronic and NMR spectra) as well as the conductance measurements and thermal analysis. The metal complexes exhibit a square planar geometrical arrangement. The kinetic and thermodynamic parameters for some selected decomposition steps have been calculated. The antimicrobial, antioxidant and anticancer activities of the chalcones and their Pd(II) complexes have been evaluated. Molecular orbital computations are performed using DFT at B3LYP level with 6-31 + G(d) and LANL2DZ basis sets to access reliable results to the experimental values. The calculations are performed to obtain the optimized molecular geometry, charge density distribution, extent of distortion from regular geometry. Thermodynamic parameters for the investigated compounds are also studied. The calculations confirm that the investigated complexes have square planner geometry, which is in a good agreement with the experimental observation.

Dynamic analysis of geometrically non-linear three-dimensional beams under moving mass

NASA Astrophysics Data System (ADS)

Zupan, E.; Zupan, D.

2018-01-01

In this paper, we present a coupled dynamic analysis of a moving particle on a deformable three-dimensional frame. The presented numerical model is capable of considering arbitrary curved and twisted initial geometry of the beam and takes into account geometric non-linearity of the structure. Coupled with dynamic equations of the structure, the equations of moving particle are solved. The moving particle represents the dynamic load and varies the mass distribution of the structure and at the same time its path is adapting due to deformability of the structure. A coupled geometrically non-linear behaviour of beam and particle is studied. The equation of motion of the particle is added to the system of the beam dynamic equations and an additional unknown representing the coordinate of the curvilinear path of the particle is introduced. The specially designed finite-element formulation of the three-dimensional beam based on the weak form of consistency conditions is employed where only the boundary conditions are affected by the contact forces.

Exploring the Dynamics of Cell Processes through Simulations of Fluorescence Microscopy Experiments

PubMed Central

Angiolini, Juan; Plachta, Nicolas; Mocskos, Esteban; Levi, Valeria

2015-01-01

Fluorescence correlation spectroscopy (FCS) methods are powerful tools for unveiling the dynamical organization of cells. For simple cases, such as molecules passively moving in a homogeneous media, FCS analysis yields analytical functions that can be fitted to the experimental data to recover the phenomenological rate parameters. Unfortunately, many dynamical processes in cells do not follow these simple models, and in many instances it is not possible to obtain an analytical function through a theoretical analysis of a more complex model. In such cases, experimental analysis can be combined with Monte Carlo simulations to aid in interpretation of the data. In response to this need, we developed a method called FERNET (Fluorescence Emission Recipes and Numerical routines Toolkit) based on Monte Carlo simulations and the MCell-Blender platform, which was designed to treat the reaction-diffusion problem under realistic scenarios. This method enables us to set complex geometries of the simulation space, distribute molecules among different compartments, and define interspecies reactions with selected kinetic constants, diffusion coefficients, and species brightness. We apply this method to simulate single- and multiple-point FCS, photon-counting histogram analysis, raster image correlation spectroscopy, and two-color fluorescence cross-correlation spectroscopy. We believe that this new program could be very useful for predicting and understanding the output of fluorescence microscopy experiments. PMID:26039162

Treatment planning with intensity modulated particle therapy for multiple targets in stage IV non-small cell lung cancer

NASA Astrophysics Data System (ADS)

Anderle, Kristjan; Stroom, Joep; Vieira, Sandra; Pimentel, Nuno; Greco, Carlo; Durante, Marco; Graeff, Christian

2018-01-01

Intensity modulated particle therapy (IMPT) can produce highly conformal plans, but is limited in advanced lung cancer patients with multiple lesions due to motion and planning complexity. A 4D IMPT optimization including all motion states was expanded to include multiple targets, where each target (isocenter) is designated to specific field(s). Furthermore, to achieve stereotactic treatment planning objectives, target and OAR weights plus objective doses were automatically iteratively adapted. Finally, 4D doses were calculated for different motion scenarios. The results from our algorithm were compared to clinical stereotactic body radiation treatment (SBRT) plans. The study included eight patients with 24 lesions in total. Intended dose regimen for SBRT was 24 Gy in one fraction, but lower fractionated doses had to be delivered in three cases due to OAR constraints or failed plan quality assurance. The resulting IMPT treatment plans had no significant difference in target coverage compared to SBRT treatment plans. Average maximum point dose and dose to specific volume in OARs were on average 65% and 22% smaller with IMPT. IMPT could also deliver 24 Gy in one fraction in a patient where SBRT was limited due to the OAR vicinity. The developed algorithm shows the potential of IMPT in treatment of multiple moving targets in a complex geometry.

Electronic Structure Theory Study of the Microsolvated F(-)(H2O) + CH3I SN2 Reaction.

PubMed

Zhang, Jiaxu; Yang, Li; Sheng, Li

2016-05-26

The potential energy profile of microhydrated fluorine ion reaction with methyl iodine has been characterized by extensive electronic structure calculations. Both hydrogen-bonded F(-)(H2O)---HCH2I and ion-dipole F(-)(H2O)---CH3I complexes are formed for the reaction entrance and the PES in vicinity of these complexes is very flat, which may have important implications for the reaction dynamics. The water molecule remains on the fluorine side until the reactive system goes to the SN2 saddle point. It can easily move to the iodine side with little barrier, but in a nonsynchronous reaction path after the dynamical bottleneck to the reaction, which supports the previous prediction for microsolvated SN2 systems. The influence of solvating water molecule on the reaction mechanism is probed by comparing with the influence of the nonsolvated analogue and other microsolvated SN2 systems. Taking the CCSD(T) single-point calculations based on MP2-optimized geometries as benchmark, the DFT functionals B97-1 and B3LYP are found to better characterize the potential energy profile for the title reaction and are recommended as the preferred methods for the direct dynamics simulations to uncover the dynamic behaviors.

A Molecular Smart Surface for Spatio-Temporal Studies of Cell Mobility

PubMed Central

Lee, Eun-ju; Luo, Wei; Chan, Eugene W. L.; Yousaf, Muhammad N.

2015-01-01

Active migration in both healthy and malignant cells requires the integration of information derived from soluble signaling molecules with positional information gained from interactions with the extracellular matrix and with other cells. How a cell responds and moves involves complex signaling cascades that guide the directional functions of the cytoskeleton as well as the synthesis and release of proteases that facilitate movement through tissues. The biochemical events of the signaling cascades occur in a spatially and temporally coordinated manner then dynamically shape the cytoskeleton in specific subcellular regions. Therefore, cell migration and invasion involve a precise but constantly changing subcellular nano-architecture. A multidisciplinary effort that combines new surface chemistry and cell biological tools is required to understand the reorganization of cytoskeleton triggered by complex signaling during migration. Here we generate a class of model substrates that modulate the dynamic environment for a variety of cell adhesion and migration experiments. In particular, we use these dynamic substrates to probe in real-time how the interplay between the population of cells, the initial pattern geometry, ligand density, ligand affinity and integrin composition affects cell migration and growth. Whole genome microarray analysis indicates that several classes of genes ranging from signal transduction to cytoskeletal reorganization are differentially regulated depending on the nature of the surface conditions. PMID:26030281

Complex quantum network geometries: Evolution and phase transitions

NASA Astrophysics Data System (ADS)

Bianconi, Ginestra; Rahmede, Christoph; Wu, Zhihao

2015-08-01

Networks are topological and geometric structures used to describe systems as different as the Internet, the brain, or the quantum structure of space-time. Here we define complex quantum network geometries, describing the underlying structure of growing simplicial 2-complexes, i.e., simplicial complexes formed by triangles. These networks are geometric networks with energies of the links that grow according to a nonequilibrium dynamics. The evolution in time of the geometric networks is a classical evolution describing a given path of a path integral defining the evolution of quantum network states. The quantum network states are characterized by quantum occupation numbers that can be mapped, respectively, to the nodes, links, and triangles incident to each link of the network. We call the geometric networks describing the evolution of quantum network states the quantum geometric networks. The quantum geometric networks have many properties common to complex networks, including small-world property, high clustering coefficient, high modularity, and scale-free degree distribution. Moreover, they can be distinguished between the Fermi-Dirac network and the Bose-Einstein network obeying, respectively, the Fermi-Dirac and Bose-Einstein statistics. We show that these networks can undergo structural phase transitions where the geometrical properties of the networks change drastically. Finally, we comment on the relation between quantum complex network geometries, spin networks, and triangulations.

Complex quantum network geometries: Evolution and phase transitions.

PubMed

Bianconi, Ginestra; Rahmede, Christoph; Wu, Zhihao

2015-08-01

Networks are topological and geometric structures used to describe systems as different as the Internet, the brain, or the quantum structure of space-time. Here we define complex quantum network geometries, describing the underlying structure of growing simplicial 2-complexes, i.e., simplicial complexes formed by triangles. These networks are geometric networks with energies of the links that grow according to a nonequilibrium dynamics. The evolution in time of the geometric networks is a classical evolution describing a given path of a path integral defining the evolution of quantum network states. The quantum network states are characterized by quantum occupation numbers that can be mapped, respectively, to the nodes, links, and triangles incident to each link of the network. We call the geometric networks describing the evolution of quantum network states the quantum geometric networks. The quantum geometric networks have many properties common to complex networks, including small-world property, high clustering coefficient, high modularity, and scale-free degree distribution. Moreover, they can be distinguished between the Fermi-Dirac network and the Bose-Einstein network obeying, respectively, the Fermi-Dirac and Bose-Einstein statistics. We show that these networks can undergo structural phase transitions where the geometrical properties of the networks change drastically. Finally, we comment on the relation between quantum complex network geometries, spin networks, and triangulations.

Computational Issues Associated with Temporally Deforming Geometries Such as Thrust Vectoring Nozzles

NASA Technical Reports Server (NTRS)

Boyalakuntla, Kishore; Soni, Bharat K.; Thornburg, Hugh J.; Yu, Robert

1996-01-01

During the past decade, computational simulation of fluid flow around complex configurations has progressed significantly and many notable successes have been reported, however, unsteady time-dependent solutions are not easily obtainable. The present effort involves unsteady time dependent simulation of temporally deforming geometries. Grid generation for a complex configuration can be a time consuming process and temporally varying geometries necessitate the regeneration of such grids for every time step. Traditional grid generation techniques have been tried and demonstrated to be inadequate to such simulations. Non-Uniform Rational B-splines (NURBS) based techniques provide a compact and accurate representation of the geometry. This definition can be coupled with a distribution mesh for a user defined spacing. The present method greatly reduces cpu requirements for time dependent remeshing, facilitating the simulation of more complex unsteady problems. A thrust vectoring nozzle has been chosen to demonstrate the capability as it is of current interest in the aerospace industry for better maneuverability of fighter aircraft in close combat and in post stall regimes. This current effort is the first step towards multidisciplinary design optimization which involves coupling the aerodynamic heat transfer and structural analysis techniques. Applications include simulation of temporally deforming bodies and aeroelastic problems.

Energy design for protein-protein interactions

PubMed Central

Ravikant, D. V. S.; Elber, Ron

2011-01-01

Proteins bind to other proteins efficiently and specifically to carry on many cell functions such as signaling, activation, transport, enzymatic reactions, and more. To determine the geometry and strength of binding of a protein pair, an energy function is required. An algorithm to design an optimal energy function, based on empirical data of protein complexes, is proposed and applied. Emphasis is made on negative design in which incorrect geometries are presented to the algorithm that learns to avoid them. For the docking problem the search for plausible geometries can be performed exhaustively. The possible geometries of the complex are generated on a grid with the help of a fast Fourier transform algorithm. A novel formulation of negative design makes it possible to investigate iteratively hundreds of millions of negative examples while monotonically improving the quality of the potential. Experimental structures for 640 protein complexes are used to generate positive and negative examples for learning parameters. The algorithm designed in this work finds the correct binding structure as the lowest energy minimum in 318 cases of the 640 examples. Further benchmarks on independent sets confirm the significant capacity of the scoring function to recognize correct modes of interactions. PMID:21842951

MeshVoro: A Three-Dimensional Voronoi Mesh Building Tool for the TOUGH Family of Codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freeman, C. M.; Boyle, K. L.; Reagan, M.

2013-09-30

Few tools exist for creating and visualizing complex three-dimensional simulation meshes, and these have limitations that restrict their application to particular geometries and circumstances. Mesh generation needs to trend toward ever more general applications. To that end, we have developed MeshVoro, a tool that is based on the Voro (Rycroft 2009) library and is capable of generating complex threedimensional Voronoi tessellation-based (unstructured) meshes for the solution of problems of flow and transport in subsurface geologic media that are addressed by the TOUGH (Pruess et al. 1999) family of codes. MeshVoro, which includes built-in data visualization routines, is a particularly usefulmore » tool because it extends the applicability of the TOUGH family of codes by enabling the scientifically robust and relatively easy discretization of systems with challenging 3D geometries. We describe several applications of MeshVoro. We illustrate the ability of the tool to straightforwardly transform a complex geological grid into a simulation mesh that conforms to the specifications of the TOUGH family of codes. We demonstrate how MeshVoro can describe complex system geometries with a relatively small number of grid blocks, and we construct meshes for geometries that would have been practically intractable with a standard Cartesian grid approach. We also discuss the limitations and appropriate applications of this new technology.« less

An Accurate and Dynamic Computer Graphics Muscle Model

NASA Technical Reports Server (NTRS)

Levine, David Asher

1997-01-01

A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.

Teachers' and Students' Negotiation Moves When Teachers Scaffold Group Work

ERIC Educational Resources Information Center

González, Gloriana; DeJarnette, Anna F.

2015-01-01

Group work has been a main activity recommended by mathematics education reform. We aim at describing the patterns of interaction between teachers and students during group work. We ask: How do teachers scaffold group work during a problem-based lesson? We use data from a problem-based lesson taught in six geometry class periods by two teachers…

Roller Coasters without Differential Equations--A Newtonian Approach to Constrained Motion

ERIC Educational Resources Information Center

Muller, Rainer

2010-01-01

Within the context of Newton's equation, we present a simple approach to the constrained motion of a body forced to move along a specified trajectory. Because the formalism uses a local frame of reference, it is simpler than other methods, making more complicated geometries accessible. No Lagrangian multipliers are necessary to determine the…

Fluid Resistance Studies with an Atwood Machine

NASA Astrophysics Data System (ADS)

Taylor, Ken; Aragon, Omar; Braun, Russell; Fessahaie, Ellias

2008-03-01

An Atwood machine in which one of its masses moves through water is used to study fluid resistance. In particular, efforts are made to compare the effects of the water resistance for objects of similar geometry but different densities. The presentation describes the apparatus, the computer system used for data acquisition and the various schemes used in the investigation.

Biological corridors and connectivity [Chapter 21

Treesearch

Samuel A. Cushman; Brad McRae; Frank Adriaensen; Paul Beier; Mark Shirley; Kathy Zeller

2013-01-01

The ability of individual animals to move across complex landscapes is critical for maintaining regional populations in the short term (Fahrig 2003; Cushman 2006), and for species to shift their geographic range in response to climate change (Heller & Zavaleta 2009). As organisms move through spatially complex landscapes, they respond to multiple...

Moving singularity creep crack growth analysis with the /Delta T/c and C/asterisk/ integrals. [path-independent vector and energy rate line integrals

NASA Technical Reports Server (NTRS)

Stonesifer, R. B.; Atluri, S. N.

1982-01-01

The physical meaning of (Delta T)c and its applicability to creep crack growth are reviewed. Numerical evaluation of (Delta T)c and C(asterisk) is discussed with results being given for compact specimen and strip geometries. A moving crack-tip singularity, creep crack growth simulation procedure is described and demonstrated. The results of several crack growth simulation analyses indicate that creep crack growth in 304 stainless steel occurs under essentially steady-state conditions. Based on this result, a simple methodology for predicting creep crack growth behavior is summarized.

Theoretical investigation, biological evaluation and VEGFR2 kinase studies of metal(II) complexes derived from hydrotris(methimazolyl)borate.

PubMed

Jayakumar, S; Mahendiran, D; Srinivasan, T; Mohanraj, G; Kalilur Rahiman, A

2016-02-01

The reaction of soft tripodal scorpionate ligand, sodium hydrotris(methimazolyl)borate with M(ClO4)2·6H2O [MMn(II), Ni(II), Cu(II) or Zn(II)] in methanol leads to the cleavage of B-N bond followed by the formation of complexes of the type [M(MeimzH)4](ClO4)2·H2O (1-4), where MeimzH=methimazole. All the complexes were fully characterized by spectro-analytical techniques. The molecular structure of the zinc(II) complex (4) was determined by X-ray crystallography, which supports the observed deboronation reaction in the scorpionate ligand with tetrahedral geometry around zinc(II) ion. The electronic spectra of complexes suggested tetrahedral geometry for manganese(II) and nickel(II) complexes, and square-planar geometry for copper(II) complex. Frontier molecular orbital analysis (HOMO-LUMO) was carried out by B3LYP/6-31G(d) to understand the charge transfer occurring in the molecules. All the complexes exhibit significant antimicrobial activity against Gram (-ve) and Gram (+ve) bacterial as well as fungal strains, which are quite comparable to standard drugs streptomycin and clotrimazole. The copper(II) complex (3) showed excellent free radical scavenging activity against DPPH in all concentration with IC50 value of 30μg/mL, when compared to the other complexes. In the molecular docking studies, all the complexes showed hydrophobic, π-π and hydrogen bonding interactions with BSA. The cytotoxic activity of the complexes against human hepatocellular liver carcinoma (HepG2) cells was assessed by MTT assay, which showed exponential responses toward increasing concentration of complexes. Copyright © 2015 Elsevier B.V. All rights reserved.

Tensionless Strings and Supersymmetric Sigma Models: Aspects of the Target Space Geometry

NASA Astrophysics Data System (ADS)

Bredthauer, Andreas

2007-01-01

In this thesis, two aspects of string theory are discussed, tensionless strings and supersymmetric sigma models. The equivalent to a massless particle in string theory is a tensionless string. Even almost 30 years after it was first mentioned, it is still quite poorly understood. We discuss how tensionless strings give rise to exact solutions to supergravity and solve closed tensionless string theory in the ten dimensional maximally supersymmetric plane wave background, a contraction of AdS(5)xS(5) where tensionless strings are of great interest due to their proposed relation to higher spin gauge theory via the AdS/CFT correspondence. For a sigma model, the amount of supersymmetry on its worldsheet restricts the geometry of the target space. For N=(2,2) supersymmetry, for example, the target space has to be bi-hermitian. Recently, with generalized complex geometry, a new mathematical framework was developed that is especially suited to discuss the target space geometry of sigma models in a Hamiltonian formulation. Bi-hermitian geometry is so-called generalized Kaehler geometry but the relation is involved. We discuss various amounts of supersymmetry in phase space and show that this relation can be established by considering the equivalence between the Hamilton and Lagrange formulation of the sigma model. In the study of generalized supersymmetric sigma models, we find objects that favor a geometrical interpretation beyond generalized complex geometry.

Geometries and properties of bimetallic phosphido-bridged complex Cp(CO) 2W(μ-PPh 2)W(CO) 5 and Cp(CO) 3W(μ-PPh 2)W(CO) 5

NASA Astrophysics Data System (ADS)

Wang, Fang; Yang, Hongmei; Yang, Zuoyin; Zhang, Jingchang; Cao, Weiliang

2007-01-01

Complete geometry optimizations were carried out by HF and DFT methods to study the molecular structure of binuclear transition-metal compounds (Cp(CO) 3W(μ-PPh 2)W(CO) 5) (I) and (Cp(CO) 2W(μ-PPh 2)W(CO) 5) (II). A comparison of the experimental data and calculated structural parameters demonstrates that the most accurate geometry parameters are predicted by the MPW1PW91/LANL2DZ among the three DFT methods. Topological properties of molecular charge distributions were analyzed with the theory of atoms in molecules. (3, -1) critical points, namely bond critical point, were found between the two tungsten atoms, and between W1 and C10 in complex II, which confirms the existence of the metal-metal bond and a semi-bridging CO between the two tungsten atoms. The result provided a theoretical guidance of detailed study on the binuclear phosphido-bridged complex containing transition metal-metal bond, which could be useful in the further study of the heterobimetallic phosphido-bridged complexes.

Optical profilometer using laser based conical triangulation for inspection of inner geometry of corroded pipes in cylindrical coordinates

NASA Astrophysics Data System (ADS)

Buschinelli, Pedro D. V.; Melo, João. Ricardo C.; Albertazzi, Armando; Santos, João. M. C.; Camerini, Claudio S.

2013-04-01

An axis-symmetrical optical laser triangulation system was developed by the authors to measure the inner geometry of long pipes used in the oil industry. It has a special optical configuration able to acquire shape information of the inner geometry of a section of a pipe from a single image frame. A collimated laser beam is pointed to the tip of a 45° conical mirror. The laser light is reflected in such a way that a radial light sheet is formed and intercepts the inner geometry and forms a bright laser line on a section of the inspected pipe. A camera acquires the image of the laser line through a wide angle lens. An odometer-based triggering system is used to shot the camera to acquire a set of equally spaced images at high speed while the device is moved along the pipe's axis. Image processing is done in real-time (between images acquisitions) thanks to the use of parallel computing technology. The measured geometry is analyzed to identify corrosion damages. The measured geometry and results are graphically presented using virtual reality techniques and devices as 3D glasses and head-mounted displays. The paper describes the measurement principles, calibration strategies, laboratory evaluation of the developed device, as well as, a practical example of a corroded pipe used in an industrial gas production plant.

Single- and two-phase flow in microfluidic porous media analogs based on Voronoi tessellation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Mengjie; Xiao, Feng; Johnson-Paben, Rebecca

2012-01-01

The objective of this study was to create a microfluidic model of complex porous media for studying single and multiphase flows. Most experimental porous media models consist of periodic geometries that lend themselves to comparison with well-developed theoretical predictions. However, most real porous media such as geological formations and biological tissues contain a degree of randomness and complexity that is not adequately represented in periodic geometries. To design an experimental tool to study these complex geometries, we created microfluidic models of random homogeneous and heterogeneous networks based on Voronoi tessellations. These networks consisted of approximately 600 grains separated by amore » highly connected network of channels with an overall porosity of 0.11 0.20. We found that introducing heterogeneities in the form of large cavities within the network changed the permeability in a way that cannot be predicted by the classical porosity-permeability relationship known as the Kozeny equation. The values of permeability found in experiments were in excellent agreement with those calculated from three-dimensional lattice Boltzmann simulations. In two-phase flow experiments of oil displacement with water we found that the surface energy of channel walls determined the pattern of water invasion, while the network topology determined the residual oil saturation. These results suggest that complex network topologies lead to fluid flow behavior that is difficult to predict based solely on porosity. The microfluidic models developed in this study using a novel geometry generation algorithm based on Voronoi tessellation are a new experimental tool for studying fluid and solute transport problems within complex porous media.« less

Determination of full piezoelectric complex parameters using gradient-based optimization algorithm

NASA Astrophysics Data System (ADS)

Kiyono, C. Y.; Pérez, N.; Silva, E. C. N.

2016-02-01

At present, numerical techniques allow the precise simulation of mechanical structures, but the results are limited by the knowledge of the material properties. In the case of piezoelectric ceramics, the full model determination in the linear range involves five elastic, three piezoelectric, and two dielectric complex parameters. A successful solution to obtaining piezoceramic properties consists of comparing the experimental measurement of the impedance curve and the results of a numerical model by using the finite element method (FEM). In the present work, a new systematic optimization method is proposed to adjust the full piezoelectric complex parameters in the FEM model. Once implemented, the method only requires the experimental data (impedance modulus and phase data acquired by an impedometer), material density, geometry, and initial values for the properties. This method combines a FEM routine implemented using an 8-noded axisymmetric element with a gradient-based optimization routine based on the method of moving asymptotes (MMA). The main objective of the optimization procedure is minimizing the quadratic difference between the experimental and numerical electrical conductance and resistance curves (to consider resonance and antiresonance frequencies). To assure the convergence of the optimization procedure, this work proposes restarting the optimization loop whenever the procedure ends in an undesired or an unfeasible solution. Two experimental examples using PZ27 and APC850 samples are presented to test the precision of the method and to check the dependency of the frequency range used, respectively.

A Quantitative Characterization and Classification of Martian Valley Networks: New Constraints on Mars' Early Climate and Its Variability in Space and Time

NASA Astrophysics Data System (ADS)

Grau Galofre, A.; Jellinek, M.

2014-12-01

Valley networks and outflow channels are among the most arresting features of Mars' surface. Remarkable similarities between the structure and complexity of individual Martian channels with certain fluvial systems on Earth supports a popular picture of a warm wet early Mars. A key assumption in this picture is that "typical" Martian examples adequately capture the average character of the majority of all valley networks. However, a full catalog of the distribution of geomorphologic variability of valley networks over Mars' surface geometry has never been established. Accordingly, we present the first planet-wide map in which we use statistical methods and theoretical arguments to classify Martian channels in terms of the mechanics governing their formation. Using new metrics for the size, shape and complexity of channel networks, which we ground truth against a large suite of terrestrial examples, we distinguish drainage patterns related to glacial, subglacial, fluvial and lava flows. Preliminary results separate lava flows from other flow features and show that these features can be divided into three different groups of increasing complexity. The characteristics of these groups suggest that they represent fluvial, subglacial and glacial features. We show also that the relative proportions of the different groups varies systematically, with higher density of river-like features located in low longitudes and increasing glacial-like features as we move east or west. Our results suggest that the early Martian climate and hydrologic cycle was richer and more diverse than originally thought.

Applications of several spectral techniques to characterize coordination compounds derived from 2,6-diacetylpyridine derivative

NASA Astrophysics Data System (ADS)

Chandra, Sulekh; Sharma, Amit Kumar

2009-09-01

The coordination compounds of Cr III, Mn II and Co II metal ions derived from quinquedentate 2,6-diacetylpyridine derivative have been synthesized and characterized by using the various physicochemical studies like stoichiometric, molar conductivity and magnetic, and spectral techniques like IR, NMR, mass, UV and EPR. The general stoichiometries of the complexes are found to be [Cr(H 2L)X] and [M(HL)X], where M = Mn(II) and Co(II); H 2L = dideprotonated ligand, HL = monodeprotonated ligand and X = NO 3-, Cl - and OAc -. The studies reveal that the complexes possess monomeric compositions with six coordinated octahedral geometry (Cr III and Mn II complexes) and six coordinated tetragonal geometry (Co II complexes).

Zeolite-encapsulated Co(II), Mn(II), Cu(II) and Cr(III) salen complexes as catalysts for efficient selective oxidation of benzyl alcohol

NASA Astrophysics Data System (ADS)

Li, F. H.; Bi, H.; Huang, D. X.; Zhang, M.; Song, Y. B.

2018-01-01

Co(II), Mn(II), Cu(II) and Cr(III) salen type complexes were synthesized in situ in Y zeolite by the reaction of ion-exchanged metal ions with the flexible ligand molecules that had diffused into the cavities. Data of characterization indicates the formation of metal salen complexes in the pores without affecting the zeolite framework structure, the absence of any extraneous species and the geometry of encapsulated complexes. The catalytic activity results show that Cosalcyen Y exhibited higher catalytic activity in the water phase selective oxidation of benzyl alcohol, which could be attributed to their geometry and the steric environment of the metal actives sites.

An ODE-Based Wall Model for Turbulent Flow Simulations

NASA Technical Reports Server (NTRS)

Berger, Marsha J.; Aftosmis, Michael J.

2017-01-01

Fully automated meshing for Reynolds-Averaged Navier-Stokes Simulations, Mesh generation for complex geometry continues to be the biggest bottleneck in the RANS simulation process; Fully automated Cartesian methods routinely used for inviscid simulations about arbitrarily complex geometry; These methods lack of an obvious & robust way to achieve near wall anisotropy; Goal: Extend these methods for RANS simulation without sacrificing automation, at an affordable cost; Note: Nothing here is limited to Cartesian methods, and much becomes simpler in a body-fitted setting.

The prehistoric Vajont rockslide: An updated geological model

NASA Astrophysics Data System (ADS)

Paronuzzi, Paolo; Bolla, Alberto

2012-10-01

This study presents the detailed reconstruction of the entire structure of the prehistoric Vajont rockslide (about 270-300 million m3 of rocks and debris) for the first time, describing the complex geometry and the characteristic superimposition of distinct rigid blocks on a very thick shear zone. The prehistoric Vajont rockslide was characterized by an enormous 'en masse' motion of a rigid overlying rock mass (100-130 m thick) that moved downslope, sliding onto a very thick shear zone (40-50 m thick, on average) made up of a chaotic assemblage of blocks, limestone angular gravel, and high plasticity clays (montmorillonitic clays). Coarse loose sediments, still exposed on the 9 October 1963 detachment surface, are always associated with large blocks made of strongly fractured rock masses (Fonzaso Formation: middle-upper Jurassic) preserving the stratification. The blocks of stratified and folded limestone sequences appear to be 'sheared off' from the underlying bedrock and can be considered as displaced rock masses planed off by the motion of the overlying rigid rock mass ('rock mass shavings'). The prehistoric Vajont rockslide was characterized by a multistage failure with a marked retrogressive evolution. The first rupture (Pian del Toc block) rapidly destabilized the upper slope, mobilizing a second rock mass block (Pian della Pozza block) that, in turn, determined the multiple rupture of the revealed shear zone material (Massalezza lobe). Even if the exact timing of the different phases is not known, the entire multistaged failure process was very rapid. At the end of the multistage retrogressive failure, the slope morphology of the northern toe of Mt. Toc was drastically changed and the large failed rock mass settled into the preexisting Vajont Valley assuming the unusual chair-like geometry. The Vajont rockslide represents a very significant example on how a complex geological situation, if not adequately analyzed and reconstructed, can lead to dangerous misinterpretations or even to erroneous engineering-geological and geotechnical models. Accurate fieldwork and modern technologies can be fundamental in solving such a very intriguing 'geological puzzle.'

Modeling electrokinetic flows by consistent implicit incompressible smoothed particle hydrodynamics

DOE PAGES

Pan, Wenxiao; Kim, Kyungjoo; Perego, Mauro; ...

2017-01-03

In this paper, we present a consistent implicit incompressible smoothed particle hydrodynamics (I 2SPH) discretization of Navier–Stokes, Poisson–Boltzmann, and advection–diffusion equations subject to Dirichlet or Robin boundary conditions. It is applied to model various two and three dimensional electrokinetic flows in simple or complex geometries. The accuracy and convergence of the consistent I 2SPH are examined via comparison with analytical solutions, grid-based numerical solutions, or empirical models. Lastly, the new method provides a framework to explore broader applications of SPH in microfluidics and complex fluids with charged objects, such as colloids and biomolecules, in arbitrary complex geometries.

CAD-Based Aerodynamic Design of Complex Configurations using a Cartesian Method

NASA Technical Reports Server (NTRS)

Nemec, Marian; Aftosmis, Michael J.; Pulliam, Thomas H.

2003-01-01

A modular framework for aerodynamic optimization of complex geometries is developed. By working directly with a parametric CAD system, complex-geometry models are modified nnd tessellated in an automatic fashion. The use of a component-based Cartesian method significantly reduces the demands on the CAD system, and also provides for robust and efficient flowfield analysis. The optimization is controlled using either a genetic or quasi-Newton algorithm. Parallel efficiency of the framework is maintained even when subject to limited CAD resources by dynamically re-allocating the processors of the flow solver. Overall, the resulting framework can explore designs incorporating large shape modifications and changes in topology.

Terrestrial-style slow-moving earthflow kinematics in a submarine landslide complex

Treesearch

Joshu J. Mountjoy; Jim McKean; Philip M. Barnes; Jarg R. Pettinga

2009-01-01

Morphometric analysis of Simrad EM300 multibeam bathymetric DEMs reveals details of deformation patterns in a ~145 km2 submarine landslide complex that are commonly associated with slow-moving earthflows in terrestrial settings. This mode of failure, where existing landslide debris is remobilised repeatedly along discrete shear boundaries and is...

Interaction between transition metals and phenylalanine: a combined experimental and computational study.

PubMed

Elius Hossain, Md; Mahmudul Hasan, Md; Halim, M E; Ehsan, M Q; Halim, Mohammad A

2015-03-05

Some transition metal complexes of phenylalanine of general formula [M(C9H10NO2)2]; where M=Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) are prepared in aqueous medium and characterized by spectroscopic, thermo-gravimetric (TG) and magnetic susceptibility analysis. Density functional theory (DFT) has been employed calculating the equilibrium geometries and vibrational frequencies of those complexes at B3LYP level of theory using 6-31G(d) and SDD basis sets. In addition, frontier molecular orbital and time-dependent density functional theory (TD-DFT) calculations are performed with CAM-B3LYP/6-31+G(d,p) and B3LYP/SDD level of theories. Thermo-gravimetric analysis confirms the composition of the complexes by comparing the experimental and calculated data for C, H, N and metals. Experimental and computed IR results predict a significant change in vibrational frequencies of metal-phenylalanine complexes compared to free ligand. DFT calculation confirms that Mn, Co, Ni and Cu complexes form square planar structure whereas Zn adopts distorted tetrahedral geometry. The metal-oxygen bonds in the optimized geometry of all complexes are shorter compared to the metal-nitrogen bonds which is consistent with a previous study. Cation-binding energy, enthalpy and Gibbs free energy indicates that these complexes are thermodynamically stable. UV-vis and TD-DFT studies reveal that these complexes demonstrate representative metal-to-ligand charge transfer (MLCT) and d-d transitions bands. TG analysis and IR spectra of the metal complexes strongly support the absence of water in crystallization. Magnetic susceptibility data of the complexes exhibits that all except Zn(II) complex are high spin paramagnetic. Copyright © 2014 Elsevier B.V. All rights reserved.

Determination of formal redox potentials in aqueous solution of copper(II) complexes with ligands having nitrogen and oxygen donor atoms and comparison with their EPR and UV-Vis spectral features.

PubMed

Tabbì, Giovanni; Giuffrida, Alessandro; Bonomo, Raffaele P

2013-11-01

Formal redox potentials in aqueous solution were determined for copper(II) complexes with ligands having oxygen and nitrogen as donor atoms. All the chosen copper(II) complexes have well-known stereochemistries (pseudo-octahedral, square planar, square-based pyramidal, trigonal bipyramidal or tetrahedral) as witnessed by their reported spectroscopic, EPR and UV-visible (UV-Vis) features, so that a rough correlation between the measured redox potential and the typical geometrical arrangement of the copper(II) complex could be established. Negative values have been obtained for copper(II) complexes in tetragonally elongated pseudo-octahedral geometries, when measured against Ag/AgCl reference electrode. Copper(II) complexes in tetrahedral environments (or flattened tetrahedral geometries) show positive redox potential values. There is a region, always in the field of negative redox potentials which groups the copper(II) complexes exhibiting square-based pyramidal arrangements. Therefore, it is suggested that a measurement of the formal redox potential could be of great help, when some ambiguities might appear in the interpretation of spectroscopic (EPR and UV-Vis) data. Unfortunately, when the comparison is made between copper(II) complexes in square-based pyramidal geometries and those in square planar environments (or a pseudo-octahedral) a little perturbed by an equatorial tetrahedral distortion, their redox potentials could fall in the same intermediate region. In this case spectroscopic data have to be handled with great care in order to have an answer about a copper complex geometrical characteristics. © 2013.

Scanning Electrochemical Microscopy as a Novel Proximity Sensor for Atraumatic Cochlear Implant Insertion

PubMed Central

Velmurugan, J.; Mirkin, M. V.; Svirsky, M. A.; Lalwani, A. K.; Llinas, R. R.

2014-01-01

A growing number of minimally invasive surgical and diagnostic procedures require the insertion of an optical, mechanical, or electronic device in narrow spaces inside a human body. In such procedures, precise motion control is essential to avoid damage to the patient’s tissues and/or the device itself. A typical example is the insertion of a cochlear implant which should ideally be done with minimum physical contact between the moving device and the cochlear canal walls or the basilar membrane. Because optical monitoring is not possible, alternative techniques for sub millimeter-scale distance control can be very useful for such procedures. The first requirement for distance control is distance sensing. We developed a novel approach to distance sensing based on the principles of scanning electrochemical microscopy (SECM). The SECM signal, i.e., the diffusion current to a microelectrode, is very sensitive to the distance between the probe surface and any electrically insulating object present in its proximity. With several amperometric microprobes fabricated on the surface of an insertable device, one can monitor the distances between different parts of the moving implant and the surrounding tissues. Unlike typical SECM experiments, in which a disk-shaped tip approaches a relatively smooth sample, complex geometries of the mobile device and its surroundings make distance sensing challenging. Additional issues include the possibility of electrode surface contamination in biological fluids and the requirement for a biologically compatible redox mediator. PMID:24845292

Discretization of three-dimensional free surface flows and moving boundary problems via elliptic grid methods based on variational principles

NASA Astrophysics Data System (ADS)

Fraggedakis, D.; Papaioannou, J.; Dimakopoulos, Y.; Tsamopoulos, J.

2017-09-01

A new boundary-fitted technique to describe free surface and moving boundary problems is presented. We have extended the 2D elliptic grid generator developed by Dimakopoulos and Tsamopoulos (2003) [19] and further advanced by Chatzidai et al. (2009) [18] to 3D geometries. The set of equations arises from the fulfillment of the variational principles established by Brackbill and Saltzman (1982) [21], and refined by Christodoulou and Scriven (1992) [22]. These account for both smoothness and orthogonality of the grid lines of tessellated physical domains. The elliptic-grid equations are accompanied by new boundary constraints and conditions which are based either on the equidistribution of the nodes on boundary surfaces or on the existing 2D quasi-elliptic grid methodologies. The capabilities of the proposed algorithm are first demonstrated in tests with analytically described complex surfaces. The sequence in which these tests are presented is chosen to help the reader build up experience on the best choice of the elliptic grid parameters. Subsequently, the mesh equations are coupled with the Navier-Stokes equations, in order to reveal the full potential of the proposed methodology in free surface flows. More specifically, the problem of gas assisted injection in ducts of circular and square cross-sections is examined, where the fluid domain experiences extreme deformations. Finally, the flow-mesh solver is used to calculate the equilibrium shapes of static menisci in capillary tubes.

Tunnelling with a negative cosmological constant

NASA Astrophysics Data System (ADS)

Gibbons, G. W.

1996-02-01

The point of this paper is to see what light new results in hyperbolic geometry may throw on gravitational entropy and whether gravitational entropy is relevant for the quantum origin of the universe. We introduce some new gravitational instantons which mediate the birth from nothing of closed universes containing wormholes and suggest that they may contribute to the density matrix of the universe. We also discuss the connection between their gravitational action and the topological and volumetric entropies introduced in hyperbolic geometry. These coincide for hyperbolic 4-manifolds, and increase with increasing topological complexity of the 4-manifold. We raise the question of whether the action also increases with the topological complexity of the initial 3-geometry, measured either by its 3-volume or its Matveev complexity. We point out, in distinction to the non-supergravity case, that universes with domains of negative cosmological constant separated by supergravity domain walls cannot be born from nothing. Finally we point out that our wormholes provide examples of the type of Perpetual Motion machines envisaged by Frolov and Novikov.

Fast Solvers for Moving Material Interfaces

DTIC Science & Technology

2008-01-01

interface method—with the semi-Lagrangian contouring method developed in References [16–20]. We are now finalizing portable C / C ++ codes for fast adaptive ...stepping scheme couples a CIR predictor with a trapezoidal corrector using the velocity evaluated from the CIR approximation. It combines the...formula with efficient geometric algorithms and fast accurate contouring techniques. A modular adaptive implementation with fast new geometry modules

Hitting the Bull's-Eye: A Dart Game Simulation Using Graphing Calculator Technology

ERIC Educational Resources Information Center

Mittag, Kathleen Cage; Taylor, Sharon E.

2006-01-01

One problem that students have with mathematics is that they often view the topic as a series of unrelated ideas. Sometimes they are aware that they have to know one concept to move to the next, but what is done in geometry is not necessarily related to anything in algebra. This failure to recognize mathematical connections limits students'…

On the Circle of Apollonius

ERIC Educational Resources Information Center

Ayoub, Ayoub B.

2006-01-01

The circle discussed in this paper is named after "The Great Geometer of Antiquity", that is Apollonius of Perga (ca. 262-190 BCE). Among his many contributions to geometry is a book with the title "Plane Loci." This book included, among others, a problem about the locus of a point moving in a plane such that the ratio of its distances from two…

Direct Single-Molecule Observation of Mode and Geometry of RecA-Mediated Homology Search.

PubMed

Lee, Andrew J; Endo, Masayuki; Hobbs, Jamie K; Wälti, Christoph

2018-01-23

Genomic integrity, when compromised by accrued DNA lesions, is maintained through efficient repair via homologous recombination. For this process the ubiquitous recombinase A (RecA), and its homologues such as the human Rad51, are of central importance, able to align and exchange homologous sequences within single-stranded and double-stranded DNA in order to swap out defective regions. Here, we directly observe the widely debated mechanism of RecA homology searching at a single-molecule level using high-speed atomic force microscopy (HS-AFM) in combination with tailored DNA origami frames to present the reaction targets in a way suitable for AFM-imaging. We show that RecA nucleoprotein filaments move along DNA substrates via short-distance facilitated diffusions, or slides, interspersed with longer-distance random moves, or hops. Importantly, from the specific interaction geometry, we find that the double-stranded substrate DNA resides in the secondary DNA binding-site within the RecA nucleoprotein filament helical groove during the homology search. This work demonstrates that tailored DNA origami, in conjunction with HS-AFM, can be employed to reveal directly conformational and geometrical information on dynamic protein-DNA interactions which was previously inaccessible at an individual single-molecule level.

Using a commercial CAD system for simultaneous input to theoretical aerodynamic programs and wind-tunnel model construction

NASA Technical Reports Server (NTRS)

Enomoto, F.; Keller, P.

1984-01-01

The Computer Aided Design (CAD) system's common geometry database was used to generate input for theoretical programs and numerically controlled (NC) tool paths for wind tunnel part fabrication. This eliminates the duplication of work in generating separate geometry databases for each type of analysis. Another advantage is that it reduces the uncertainty due to geometric differences when comparing theoretical aerodynamic data with wind tunnel data. The system was adapted to aerodynamic research by developing programs written in Design Analysis Language (DAL). These programs reduced the amount of time required to construct complex geometries and to generate input for theoretical programs. Certain shortcomings of the Design, Drafting, and Manufacturing (DDM) software limited the effectiveness of these programs and some of the Calma NC software. The complexity of aircraft configurations suggests that more types of surface and curve geometry should be added to the system. Some of these shortcomings may be eliminated as improved versions of DDM are made available.

Coordination behavior of tetraaza [N4] ligand towards Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes: Synthesis, spectroscopic characterization and anticancer activity

NASA Astrophysics Data System (ADS)

El-Boraey, Hanaa A.

2012-11-01

Novel eight Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes with [N4] ligand (L) i.e. 2-amino-N-{2-[(2-aminobenzoyl)amino]ethyl}benzamide have been synthesized and structurally characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and molar conductivity measurements. On the basis of IR, mass, electronic and EPR spectral studies an octahedral geometry has been proposed for Co(II), Ni(II) complexes and Cu(II) chloride complex, square-pyramidal for Cu(I) bromide complex. For Cu(II) nitrate complex (6), Pd(II) complex (8) square planar geometry was proposed. The EPR data of Cu(II) complexes in powdered form indicate dx2-y2 ground state of Cu(II) ion. The antitumor activity of the synthesized ligand and some selected metal complexes has been studied. The palladium(II) complex (8) was found to display cytotoxicity (IC50 = 25.6 and 41 μM) against human breast cancer cell line MCF-7 and human hepatocarcinoma HEPG2 cell line.

Digital microfabrication of user-defined 3D microstructures in cell-laden hydrogels.

PubMed

Soman, Pranav; Chung, Peter H; Zhang, A Ping; Chen, Shaochen

2013-11-01

Complex 3D interfacial arrangements of cells are found in several in vivo biosystems such as blood vasculature, renal glomeruli, and intestinal villi. Current tissue engineering techniques fail to develop suitable 3D microenvironments to evaluate the concurrent effects of complex topography and cell encapsulation. There is a need to develop new fabrication approaches that control cell density and distribution within complex 3D features. In this work, we present a dynamic projection printing process that allows rapid construction of complex 3D structures using custom-defined computer-aided-design (CAD) files. Gelatin-methacrylate (GelMA) constructs featuring user-defined spiral, pyramid, flower, and dome micro-geometries were fabricated with and without encapsulated cells. Encapsulated cells demonstrate good cell viability across all geometries both on the scaffold surface and internal to the structures. Cells respond to geometric cues individually as well as collectively throughout the larger-scale patterns. Time-lapse observations also reveal the dynamic nature of mechanical interactions between cells and micro-geometry. When compared to conventional cell-seeding, cell encapsulation within complex 3D patterned scaffolds provides long-term control over proliferation, cell morphology, and geometric guidance. Overall, this biofabrication technique offers a flexible platform to evaluate cell interactions with complex 3D micro-features, with the ability to scale-up towards high-throughput screening platforms. © 2013 Wiley Periodicals, Inc.

Structural influence in the interaction of cysteine with five coordinated copper complexes: Theoretical and experimental studies

NASA Astrophysics Data System (ADS)

Huerta-Aguilar, Carlos Alberto; Thangarasu, Pandiyan; Mora, Jesús Gracia

2018-04-01

Copper complexes of N,N,N‧,N‧-tetrakis(pyridyl-2-ylmethyl)-1,2-diaminoethane (L1) and N,N,N‧,N‧-tetrakis(pyridyl-2-ylmethyl)-1,3-diaminopropane (L2) prepared were characterized completely by different analytical methods. The X-structure of the complexes shows that Cu(II) presents in trigonal bi-pyramidal (TBP) geometry, consisting with the electronic spectra where two visible bands corresponding to five coordinated structure were observed. Thus TD-DFT was used to analyze the orbital contribution to the electronic transitions for the visible bands. Furthermore, the interaction of cysteine with the complexes was spectrally studied, and the results were explained through DFT analysis, observing that the geometrical parameters and oxidation state of metal ions play a vital role in the binding of cysteine with copper ion. It appears that the TBP structure is being changed into octahedral geometry during the addition of cysteine to the complexes as two bands (from complex) is turned to a broad band in visible region, signifying the occupation of cysteine molecule at sixth position of octahedral geometry. In the molecular orbital analysis, the existence of a strong overlapping of HOMOs (from cysteine) with LUMOs of Cu ion was observed. The total energy of the systems calculated by DFT shows that cysteine binds favorably with copper (I) than that with Cu(II).

Quantum, characterization and spectroscopic studies on Cu(II), Pd(II) and Pt(II) complexes of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea and its biological application as antimicrobial and antioxidant

NASA Astrophysics Data System (ADS)

Jambi, M. S.

2017-09-01

Divalent platinum, palladium and copper chelates of H2PhT have been isolated and identified. Their structures have been elucidated by partial elemental analyses, magnetic susceptibilities and spectroscopic estimations and additionally mass spectra. The FTIR and 1H NMR studies illustrated that H2PhT performs as mono-negative bi-dentate in Cu(II) and Pd(II) complexes while it behaves as neutral bi-dentate in both Pt(II) complexes. Both magnetic moments and spectral studies suggests a tetrahedral coordination geometry for [Cu(HPhT)(H2O)Cl] complex, a square planar geometry for both [Pd(HPhT)2] and [Pt(H2PhT)2Cl2] complexes and octahedral geometry for [Pt(H2PhT)2Cl2] complex. The molecular modeling are drawn and demonstrated both bond lengths and angles, chemical reactivity, MEP, NLO, Mulliken atomic charges, and binding energy (kcal/mol) for the investigated compounds. Theoretical infrared intensities and 1H NMR of H2PhT was computed utilizing DFT technique. An examination of the experimental and hypothetical spectra can be extremely valuable in making right assignments and analyzing the main chemical shift. DNA bioassay, antibacterial and antifungal activities of the investigated compounds have been determined.

Colony geometry and structural complexity of the endangered species Acropora cervicornis partly explains the structure of their associated fish assemblage.

PubMed

Agudo-Adriani, Esteban A; Cappelletto, Jose; Cavada-Blanco, Francoise; Croquer, Aldo

2016-01-01

In the past decade, significant efforts have been made to describe fish-habitat associations. However, most studies have oversimplified actual connections between fish assemblages and their habitats by using univariate correlations. The purpose of this study was to identify the features of habitat forming corals that facilitate and influences assemblages of associated species such as fishes. For this we developed three-dimensional models of colonies of Acropora cervicornis to estimate geometry (length and height), structural complexity (i.e., volume, density of branches, etc.) and biological features of the colonies (i.e., live coral tissue, algae). We then correlated these colony characteristics with the associated fish assemblage using multivariate analyses. We found that geometry and complexity were better predictors of the structure of fish community, compared to other variables such as percentage of live coral tissue or algae. Combined, the geometry of each colony explained 40% of the variability of the fish assemblage structure associated with this coral species; 61% of the abundance and 69% of fish richness, respectively. Our study shows that three-dimensional reconstructions of discrete colonies of Acropora cervicornis provides a useful description of the colonial structural complexity and may explain a great deal of the variance in the structure of the associated coral reef fish community. This demonstration of the strongly trait-dependent ecosystem role of this threatened species has important implications for restoration and conservation efforts.

Colony geometry and structural complexity of the endangered species Acropora cervicornis partly explains the structure of their associated fish assemblage

PubMed Central

Cappelletto, Jose; Cavada-Blanco, Francoise; Croquer, Aldo

2016-01-01

In the past decade, significant efforts have been made to describe fish-habitat associations. However, most studies have oversimplified actual connections between fish assemblages and their habitats by using univariate correlations. The purpose of this study was to identify the features of habitat forming corals that facilitate and influences assemblages of associated species such as fishes. For this we developed three-dimensional models of colonies of Acropora cervicornis to estimate geometry (length and height), structural complexity (i.e., volume, density of branches, etc.) and biological features of the colonies (i.e., live coral tissue, algae). We then correlated these colony characteristics with the associated fish assemblage using multivariate analyses. We found that geometry and complexity were better predictors of the structure of fish community, compared to other variables such as percentage of live coral tissue or algae. Combined, the geometry of each colony explained 40% of the variability of the fish assemblage structure associated with this coral species; 61% of the abundance and 69% of fish richness, respectively. Our study shows that three-dimensional reconstructions of discrete colonies of Acropora cervicornis provides a useful description of the colonial structural complexity and may explain a great deal of the variance in the structure of the associated coral reef fish community. This demonstration of the strongly trait-dependent ecosystem role of this threatened species has important implications for restoration and conservation efforts. PMID:27069801

Applying Turbulence Models to Hydroturbine Flows: A Sensitivity Analysis Using the GAMM Francis Turbine

NASA Astrophysics Data System (ADS)

Lewis, Bryan; Cimbala, John; Wouden, Alex

2011-11-01

Turbulence models are generally developed to study common academic geometries, such as flat plates and channels. Creating quality computational grids for such geometries is trivial, and allows stringent requirements to be met for boundary layer grid refinement. However, engineering applications, such as flow through hydroturbines, require the analysis of complex, highly curved geometries. To produce body-fitted grids for such geometries, the mesh quality requirements must be relaxed. Relaxing these requirements, along with the complexity of rotating flows, forces turbulence models to be employed beyond their developed scope. This study explores the solution sensitivity to boundary layer grid quality for various turbulence models and boundary conditions currently implemented in OpenFOAM. The following models are resented: k-omega, k-omega SST, k-epsilon, realizable k-epsilon, and RNG k-epsilon. Standard wall functions, adaptive wall functions, and sub-grid integration are compared using various grid refinements. The chosen geometry is the GAMM Francis Turbine because experimental data and comparison computational results are available for this turbine. This research was supported by a grant from the DoE and a National Defense Science and Engineering Graduate Fellowship.

Spatial Heterogeneity, Scale, Data Character and Sustainable Transport in the Big Data Era

NASA Astrophysics Data System (ADS)

Jiang, Bin

2018-04-01

In light of the emergence of big data, I have advocated and argued for a paradigm shift from Tobler's law to scaling law, from Euclidean geometry to fractal geometry, from Gaussian statistics to Paretian statistics, and - more importantly - from Descartes' mechanistic thinking to Alexander's organic thinking. Fractal geometry falls under the third definition of fractal - that is, a set or pattern is fractal if the scaling of far more small things than large ones recurs multiple times (Jiang and Yin 2014) - rather than under the second definition of fractal, which requires a power law between scales and details (Mandelbrot 1982). The new fractal geometry is more towards living geometry that "follows the rules, constraints, and contingent conditions that are, inevitably, encountered in the real world" (Alexander et al. 2012, p. 395), not only for understanding complexity, but also for creating complex or living structure (Alexander 2002-2005). This editorial attempts to clarify why the paradigm shift is essential and to elaborate on several concepts, including spatial heterogeneity (scaling law), scale (or the fourth meaning of scale), data character (in contrast to data quality), and sustainable transport in the big data era.

A Comprehensive Numerical Model for Simulating Fluid Transport in Nanopores

PubMed Central

Zhang, Yuan; Yu, Wei; Sepehrnoori, Kamy; Di, Yuan

2017-01-01

Since a large amount of nanopores exist in tight oil reservoirs, fluid transport in nanopores is complex due to large capillary pressure. Recent studies only focus on the effect of nanopore confinement on single-well performance with simple planar fractures in tight oil reservoirs. Its impacts on multi-well performance with complex fracture geometries have not been reported. In this study, a numerical model was developed to investigate the effect of confined phase behavior on cumulative oil and gas production of four horizontal wells with different fracture geometries. Its pore sizes were divided into five regions based on nanopore size distribution. Then, fluid properties were evaluated under different levels of capillary pressure using Peng-Robinson equation of state. Afterwards, an efficient approach of Embedded Discrete Fracture Model (EDFM) was applied to explicitly model hydraulic and natural fractures in the reservoirs. Finally, three fracture geometries, i.e. non-planar hydraulic fractures, non-planar hydraulic fractures with one set natural fractures, and non-planar hydraulic fractures with two sets natural fractures, are evaluated. The multi-well performance with confined phase behavior is analyzed with permeabilities of 0.01 md and 0.1 md. This work improves the analysis of capillarity effect on multi-well performance with complex fracture geometries in tight oil reservoirs. PMID:28091599

A Comprehensive Numerical Model for Simulating Fluid Transport in Nanopores

NASA Astrophysics Data System (ADS)

Zhang, Yuan; Yu, Wei; Sepehrnoori, Kamy; di, Yuan

2017-01-01

Since a large amount of nanopores exist in tight oil reservoirs, fluid transport in nanopores is complex due to large capillary pressure. Recent studies only focus on the effect of nanopore confinement on single-well performance with simple planar fractures in tight oil reservoirs. Its impacts on multi-well performance with complex fracture geometries have not been reported. In this study, a numerical model was developed to investigate the effect of confined phase behavior on cumulative oil and gas production of four horizontal wells with different fracture geometries. Its pore sizes were divided into five regions based on nanopore size distribution. Then, fluid properties were evaluated under different levels of capillary pressure using Peng-Robinson equation of state. Afterwards, an efficient approach of Embedded Discrete Fracture Model (EDFM) was applied to explicitly model hydraulic and natural fractures in the reservoirs. Finally, three fracture geometries, i.e. non-planar hydraulic fractures, non-planar hydraulic fractures with one set natural fractures, and non-planar hydraulic fractures with two sets natural fractures, are evaluated. The multi-well performance with confined phase behavior is analyzed with permeabilities of 0.01 md and 0.1 md. This work improves the analysis of capillarity effect on multi-well performance with complex fracture geometries in tight oil reservoirs.

Accurate simulation of geometry, singlet-singlet and triplet-singlet excitation of cyclometalated iridium(III) complex.

PubMed

Wang, Jian; Bai, Fu-Quan; Xia, Bao-Hui; Zhang, Hong-Xing; Cui, Tian

2014-03-01

In the current contribution, we present a critical study of the theoretical protocol used for the determination of the electronic spectra properties of luminescent cyclometalated iridium(III) complex, [Ir(III)(ppy)₂H₂dcbpy]⁺ (where, ppy = 2-phenylpyridine, H₂dcbpy = 2,2'-bipyridine-4,4'-dicarboxylic acid), considered as a representative example of the various problems related to the prediction of electronic spectra of transition metal complex. The choice of the exchange-correlation functional is crucial for the validity of the conclusions that would be drawn from the numerical results. The influence of the exchange-correlation on geometry parameter and absorption/emission band, the role of solvent effects on time-dependent density function theory (TD-DFT) calculations, as well as the importance of the chosen proper procedure to optimize triplet excited geometry, have been thus examined in detail. From the obtained results, some general conclusions and guidelines are presented: i) PBE0 functional is the most accurate in prediction of ground state geometry; ii) the well-established B3LYP, B3P86, PBE0, and X3LYP have similar accuracy in calculation of absorption spectrum; and iii) the hybrid approach TD-DFT//CIS gives out excellent agreement in the evaluation of triplet excitation energy.

A linguistic geometry for 3D strategic planning

NASA Technical Reports Server (NTRS)

Stilman, Boris

1995-01-01

This paper is a new step in the development and application of the Linguistic Geometry. This formal theory is intended to discover the inner properties of human expert heuristics, which have been successful in a certain class of complex control systems, and apply them to different systems. In this paper we investigate heuristics extracted in the form of hierarchical networks of planning paths of autonomous agents. Employing Linguistic Geometry tools the dynamic hierarchy of networks is represented as a hierarchy of formal attribute languages. The main ideas of this methodology are shown in this paper on the new pilot example of the solution of the extremely complex 3D optimization problem of strategic planning for the space combat of autonomous vehicles. This example demonstrates deep and highly selective search in comparison with conventional search algorithms.

KSC-2011-8240

NASA Image and Video Library

2011-12-11

CAPE CANAVERAL, Fla. – The high-fidelity space shuttle model that was on display at the NASA Kennedy Space Center Visitor Complex in Florida moves along the on-ramp from NASA Causeway to Kennedy Parkway to gain entrance to the northbound roadways on the center. It is standard procedure for large payloads and equipment to travel against the normal flow of traffic under the supervision of a move crew when being transported on or off center property. The model is being moved from the visitor complex to NASA Kennedy Space Center's Launch Complex 39 turn basin. The shuttle was part of a display at the visitor complex that also included an external tank and two solid rocket boosters that were used to show visitors the size of actual space shuttle components. The full-scale shuttle model is being transferred from Kennedy to Space Center Houston, NASA Johnson Space Center's visitor center. The model will stay at the turn basin for a few months until it is ready to be transported to Texas via barge. The move also helps clear the way for the Kennedy Space Center Visitor Complex to begin construction of a new facility next year to display space shuttle Atlantis in 2013. For more information about Space Center Houston, visit http://www.spacecenter.org. Photo credit: NASA/Dimitri Gerondidakis

Processive motions of MreB micro-filaments coordinate cell wall growth

NASA Astrophysics Data System (ADS)

Garner, Ethan

2012-02-01

Rod-shaped bacteria elongate by the action of cell-wall synthesis complexes linked to underlying dynamic MreB filaments, but how these proteins function to allow continued elongation as a rod remains unknown. To understand how the movement of these filaments relates to cell wall synthesis, we characterized the dynamics of MreB and the cell wall elongation machinery using high-resolution particle tracking in Bacillus subtilis. We found that both MreB and the elongation machinery move in linear paths across the cell, moving at similar rates (˜20nm / second) and angles to the cell body, suggesting they function as single complexes. These proteins move circumferentially around the cell, principally perpendicular to its length. We find that the motions of these complexes are independent, as they can pause and reverse,and also as nearby complexes move independently in both directions across one surface of the cell. Inhibition of cell wall synthesis with antibiotics or depletions in the cell wall synthesis machinery blocked MreB movement, suggesting that the cell wall synthetic machinery is the motor in this system. We propose that bacteria elongate by the uncoordinated, circumferential movements of synthetic complexes that span the plasma membrane and insert radial hoops of new peptidoglycan during their transit.

Game Building with Complex-Valued Functions

ERIC Educational Resources Information Center

Dittman, Marki; Soto-Johnson, Hortensia; Dickinson, Scott; Harr, Tim

2017-01-01

In this paper, we describe how we integrated complex analysis into the second semester of a geometry course designed for preservice secondary mathematics teachers. As part of this inquiry-based course, the preservice teachers incorporated their geometric understanding of the arithmetic of complex numbers and complex-valued functions to create a…

Moving frames and prolongation algebras

NASA Technical Reports Server (NTRS)

Estabrook, F. B.

1982-01-01

Differential ideals generated by sets of 2-forms which can be written with constant coefficients in a canonical basis of 1-forms are considered. By setting up a Cartan-Ehresmann connection, in a fiber bundle over a base space in which the 2-forms live, one finds an incomplete Lie algebra of vector fields in the fields in the fibers. Conversely, given this algebra (a prolongation algebra), one can derive the differential ideal. The two constructs are thus dual, and analysis of either derives properties of both. Such systems arise in the classical differential geometry of moving frames. Examples of this are discussed, together with examples arising more recently: the Korteweg-de Vries and Harrison-Ernst systems.

Synthesis, structural, optical and anti-rheumatic activity of metal complexes derived from (E)-2-amino-N-(1-(2-aminophenyl)ethylidene)benzohydrazide (2-AAB) with Ru(III), Pd(II) and Zr(IV)

NASA Astrophysics Data System (ADS)

Hosny, Nasser Mohammed; Sherif, Yousery E.

2015-02-01

Three new metal complexes derived from Pd(II), Ru(III) and Zr(IV) with (E)-2-amino-N-(1-(2-aminophenyl)ethylidene)benzohydrazide (2-AAB) have been synthesized. The isolated complexes were characterized by elemental analyses, FT-IR, UV-Vis, ES-MS, 1H NMR, XRD, thermal analyses (TGA and DTA) and conductance. The morphology and the particle size were determined by transmittance electron microscope (TEM). The results showed that, the ligand coordinates to Pd(II) in the enol form, while it coordinates to Ru(III) and Zr(IV) in the keto form. A square planar geometry is suggested for Pd(II) complex and octahedral geometries are suggested for Ru(III) and Zr(IV) complexes. The optical band gaps of the isolated complexes were measured and indicated the semi-conductivity nature of the complexes. The anti-inflammatory and analgesic activities of the ligand and its complexes showed that, Ru(III) complex has higher effect than the well known drug "meloxicam".

Spectroscopic, thermal analysis and DFT computational studies of salen-type Schiff base complexes.

PubMed

Ebrahimi, Hossein Pasha; Hadi, Jabbar S; Abdulnabi, Zuhair A; Bolandnazar, Zeinab

2014-01-03

A new series of metal(II) complexes of Co(II), Ni(II), Cu(II), Zn(II), and Pb(II) have been synthesized from a salen-type Schiff base ligand derived from o-vanillin and 4-methyl-1,2-phenylenediamine and characterized by elemental analysis, spectral (IR, UV-Vis, (1)H NMR, (13)C NMR and EI-mass), molar conductance measurements and thermal analysis techniques. Coats-Redfern method has been utilized to calculate the kinetic and thermodynamic parameters of the metal complexes. The molecular geometry, Mulliken atomic charges of the studied compounds were investigated theoretically by performing density functional theory (DFT) to access reliable results to the experimental values. The theoretical (13)C chemical shift results of the studied compounds have been calculated at the B3LYP, PBEPBE and PW91PW91 methods and standard 6-311+G(d,p) basis set starting from optimized geometry. The comparison of the results indicates that B3LYP/6-311+G(d,p) yields good agreement with the observed chemical shifts. The measured low molar conductance values in DMF indicate that the metal complexes are non-electrolytes. The spectral and thermal analysis reveals that all complexes have octahedral geometry except Cu(II) complex which can attain the square planner arrangement. The presence of lattice and coordinated water molecules are indicated by thermograms of the complexes. The thermogravimetric (TG/DTG) analyses confirm high stability for all complexes followed by thermal decomposition in different steps. Copyright © 2013 Elsevier B.V. All rights reserved.

Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study

NASA Astrophysics Data System (ADS)

Chiavarino, B.; Crestoni, M. E.; Fornarini, S.; Taioli, S.; Mancini, I.; Tosi, P.

2012-07-01

Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of charged copper-resveratrol complexes in the 3500-3700 cm-1 and 1100-1900 cm-1 regions. Minimum energy structures have been determined by density functional theory calculations using plane waves and pseudopotentials. In particular, the copper(I)-resveratrol complex presents a tetra-coordinated metal bound with two carbon atoms of the alkenyl moiety and two closest carbons of the adjoining resorcinol ring. For these geometries vibrational spectra have been calculated by using linear response theory. The good agreement between experimental and calculated IR spectra for the selected species confirms the overall reliability of the proposed geometries.

The molecular structure and vibrational spectra of corrolazine metal complexes (CzM) by density functional theory

NASA Astrophysics Data System (ADS)

Wang, Hongming; Yang, Chuanlu; Zhang, Zhihong; Wang, Meishan; Han, Keli

2006-06-01

The ground-state geometries, electronic structures and vibrational frequencies of metal corrolazine complexes, CzM (M = Mn, Co, Ni and Fe) have been studied using B3LYP/6-311g(d) method. The molecular geometries are sensitive to the species of the metal, and the bond length of the M sbnd N is increase with the metal atom radii. The ground-state electronic structures indicate that there are strong interactions between d of the metal fragments and the corrolazine fragments. The calculations also indicate that the CzNi is the stabilest among the four metal corrolazine complexes. Vibrational frequencies of these metal corrolazine complexes were also calculated and were assigned to the local coordinates of the corrolazine ring, which reveals the some common feature of the molecular vibrations of the metal corrolazine complexes as four-coordination metallocorrolazines.

Spectroscopic and mycological studies of Co(II), Ni(II) and Cu(II) complexes with 4-aminoantipyrine derivative

NASA Astrophysics Data System (ADS)

Sharma, Amit Kumar; Chandra, Sulekh

2011-10-01

Complexes of the type [M(L)X 2], where M = Co(II), Ni(II) and Cu(II), have been synthesized with novel NO-donor Schiff's base ligand, 1,4-diformylpiperazine bis(4-imino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one) which is obtained by the acid catalyzed condensation of 1,4-diformylpiperazine with 4-aminoantipyrine. The elemental analyses, molar conductance measurements, magnetic susceptibility measurements, IR, UV, NMR, mass and EPR studies of the compounds led to the conclusion that the ligand acts as tetradentate chelate. The Schiff's base ligand forms hexacoordinated complexes having octahedral geometry for Ni(II) and tetragonal geometry for Co(II) and Cu(II) complexes. The mycological studies of the compounds were examined against the several opportunistic pathogens, i.e., Alternaria brassicae, Aspergillus niger and Fusarium oxysporum. The Cu(II) complexes were found to have most fungicidal behavior.

Mono and binuclear ruthenium(II) complexes containing 5-chlorothiophene-2-carboxylic acid ligands: Spectroscopic analysis and computational studies

NASA Astrophysics Data System (ADS)

Swarnalatha, Kalaiyar; Kamalesu, Subramaniam; Subramanian, Ramasamy

2016-11-01

New Ruthenium complexes I, II and III were synthesized using 5-chlorothiophene-2-carboxylic acid (5TPC), as ligand and the complexes were characterized by elemental analysis, FT-IR, 1H, 13C NMR, and mass spectroscopic techniques. Photophysical and electrochemical studies were carried out and the structures of the synthesized complex were optimized using density functional theory (DFT). The molecular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energies and Mulliken atomic charges of the molecules are determined at the B3LYP method and standard 6-311++G (d,p) basis set starting from optimized geometry. They possess excellent stabilities and their thermal decomposition temperatures are 185 °C, 180 °C and 200 °C respectively, indicating that the metal complexes are suitable for the fabrication processes of optoelectronic devices.

Classical versus Computer Algebra Methods in Elementary Geometry

ERIC Educational Resources Information Center

Pech, Pavel

2005-01-01

Computer algebra methods based on results of commutative algebra like Groebner bases of ideals and elimination of variables make it possible to solve complex, elementary and non elementary problems of geometry, which are difficult to solve using a classical approach. Computer algebra methods permit the proof of geometric theorems, automatic…

Dragging and Making Sense of Invariants in Dynamic Geometry

ERIC Educational Resources Information Center

Baccaglini-Frank, Anna E.

2012-01-01

Perceiving and interpreting invariants is a complex task for a nonexpert geometry student, as various studies have shown. Nevertheless, having students work through particular kinds of activities that involve perception and interpretation of invariants and engage in discussions with classmates, guided by the teacher, can help them learn…

Channel geometry change of a first-order stream after a small debris flow in Ashio Mountains of central Japan

NASA Astrophysics Data System (ADS)

Hattanji, T.; Wasklewicz, T.

2006-12-01

We examined geometry change of a steep first-order channel with a laserscanner before and after a small debris flow. The study site is located in chert area, Ashio Mountains, Japan. On August 12, 2005, a 20-year storm event with maximum 1-hour rainfall of 75.4 mm/h triggered a small landslide at a steep channel head. The sliding material moved as a debris flow along the first-order channel (C3) to the mouth. We successfully measured high-resolution channel topography with the Leica Geosystems High-Definition Surveying Laser Scanner before (April 30) and after the debris-flow event (October 9-11). Width, depth and other related parameters were measured for 30 selected cross sections. Bankfull stage of this first-order channel after the debris-flow event is much higher than two-year flood stage. The magnitude of channel geometry change varies non-linearly in downstream direction. The non-linear variability is attributed to differences in stream bed and bank characteristics. Bedrock-channel reach is less impacted by the debris flow. The largest magnitude changes in the channel geometry parameters occur along colluvially confined channel reaches.

Auroral particles

NASA Technical Reports Server (NTRS)

Evans, David S.

1987-01-01

The problems concerning the aurora posed prior to the war are now either solved in principle or were restated in a more fundamental form. The pre-war hypothesis concerning the nature of the auroral particles and their energies was fully confirmed, with the exception that helium and oxygen ions were identified as participating in the auroral particle precipitation in addition to the protons. The nature of the near-Earth energization processes affecting auroral particles was clarified. Charged particle trajectories in various electric field geometries were modeled. The physical problems have now moved from determining the nature and geometry of the electric fields, which accelerate charged particles near the Earth, to accounting for the existence of these electric fields as a natural consequence of the solar wind's interaction with Earth. Ultimately the reward in continuing the work in auroral and magnetospheric particle dynamics will be a deeper understanding of the subtleties of classical electricity and magnetism as applied to situations not blessed with well-defined and invariant geometries.

Casimir energy in Kerr space-time

NASA Astrophysics Data System (ADS)

Sorge, F.

2014-10-01

We investigate the vacuum energy of a scalar massless field confined in a Casimir cavity moving in a circular equatorial orbit in the exact Kerr space-time geometry. We find that both the orbital motion of the cavity and the underlying space-time geometry conspire in lowering the absolute value of the (renormalized) Casimir energy ⟨ɛvac⟩ren , as measured by a comoving observer, with respect to whom the cavity is at rest. This, in turn, causes a weakening in the attractive force between the Casimir plates. In particular, we show that the vacuum energy density ⟨ɛvac⟩ren→0 when the orbital path of the Casimir cavity comes close to the corotating or counter-rotating circular null orbits (possibly geodesic) allowed by the Kerr geometry. Such an effect could be of some astrophysical interest on relevant orbits, such as the Kerr innermost stable circular orbits, being potentially related to particle confinement (as in some interquark models). The present work generalizes previous results obtained by several authors in the weak field approximation.

Robot environment expert system

NASA Technical Reports Server (NTRS)

Potter, J. L.

1985-01-01

The Robot Environment Expert System uses a hexidecimal tree data structure to model a complex robot environment where not only the robot arm moves, but also the robot itself and other objects may move. The hextree model allows dynamic updating, collision avoidance and path planning over time, to avoid moving objects.

The resolved layer of a collisionless, high beta, supercritical, quasi-perpendicular shock wave. I - Rankine-Hugoniot geometry, currents, and stationarity

NASA Technical Reports Server (NTRS)

Scudder, J. D.; Aggson, T. L.; Mangeney, A.; Lacombe, C.; Harvey, C. C.

1986-01-01

Data collected by the ISEE dual-spacecraft mission (on November 7, 1977) on a slowly moving, supercritical, high-beta, quasi-perpendicular bow shock are presented, and the local geometry, spatial scales, and stationarity of this shock wave are assessed in a self-consistent Rankine-Hugoniot-constrained frame of reference. Included are spatial profiles of the ac and dc magnetic and electric fields, electron and proton fluid velocities, current densities, electron and proton number densities, temperatures, pressures, and partial densities of the reflected protons. The observed layer profile is shown to be nearly phase standing and one-dimensional in a Rankine-Hugoniot frame, empirically determined by the magnetofluid parameters outside the layer proper.

Experimental investigations on airfoils with different geometries in the domain of high angles of attack-flow separation

NASA Technical Reports Server (NTRS)

Keil, J.

1985-01-01

Wind tunnel tests were conducted on airfoil models in order to study the flow separation phenomena occurring for high angles of attack. Pressure distribution on wings of different geometries were measured. Results show that for three-dimensional airfoils layout and span lift play a role. Separation effects on airfoils with moderate extension are three-dimensional. The flow domains separated from the air foil must be treated three-dimensionally. The rolling-up of separated vortex layers increases with angle in intensity and induction effect and shows strong nonlinearities. Boundary layer material moves perpendicularly to the flow direction due to the pressure gradients at the airfoil; this has a stabilizing effect. The separation starts earlier with increasing pointed profiles.

a Chiral Tag Study of the Absolute Configuration of Camphor

NASA Astrophysics Data System (ADS)

Pratt, David; Evangelisti, Luca; Smart, Taylor; Holdren, Martin S.; Mayer, Kevin J.; West, Channing; Pate, Brooks

2017-06-01

The chiral tagging method for rotational spectroscopy uses an established approach in chiral analysis of creating a complex with an enantiopure tag so that enantiomers of the molecule of interest are converted to diastereomer complexes. Since the diastereomers have distinct structure, they give distinguishable rotational spectra. Camphor was chosen as an example for the chiral tag method because it has spectral properties that could pose challenges to the use of three wave mixing rotational spectroscopy to establish absolute configuration. Specifically, one of the dipole moment components of camphor is small making three wave mixing measurements challenging and placing high accuracy requirements on computational chemistry for calculating the dipole moment direction in the principal axis system. The chiral tag measurements of camphor used the hydrogen bond donor 3-butyn-2-ol. Quantum chemistry calculations using the B3LYP-D3BJ method and the def2TZVP basis set identified 7 low energy isomers of the chiral complex. The two lowest energy complexes of the homochiral and heterochiral complexes are observed in a measurement using racemic tag. Absolute configuration is confirmed by the use of an enantiopure tag sample. Spectra with ^{13}C-sensitivity were acquired so that the carbon substitution structure of the complex could be obtained to provide a structure of camphor with correct stereochemistry. The chiral tag complex spectra can also be used to estimate the enantiomeric excess of the sample and analysis of the broadband spectrum indicates that the sample enantiopurity is higher than 99.5%. The structure of the complex is analyzed to determine the extent of geometry modification that occurs upon formation of the complex. These results show that initial isomer searches with fixed geometries will be accurate. The reduction in computation time from fixed geometry assumptions will be discussed.

Computational aeroelasticity using a pressure-based solver

NASA Astrophysics Data System (ADS)

Kamakoti, Ramji

A computational methodology for performing fluid-structure interaction computations for three-dimensional elastic wing geometries is presented. The flow solver used is based on an unsteady Reynolds-Averaged Navier-Stokes (RANS) model. A well validated k-ε turbulence model with wall function treatment for near wall region was used to perform turbulent flow calculations. Relative merits of alternative flow solvers were investigated. The predictor-corrector-based Pressure Implicit Splitting of Operators (PISO) algorithm was found to be computationally economic for unsteady flow computations. Wing structure was modeled using Bernoulli-Euler beam theory. A fully implicit time-marching scheme (using the Newmark integration method) was used to integrate the equations of motion for structure. Bilinear interpolation and linear extrapolation techniques were used to transfer necessary information between fluid and structure solvers. Geometry deformation was accounted for by using a moving boundary module. The moving grid capability was based on a master/slave concept and transfinite interpolation techniques. Since computations were performed on a moving mesh system, the geometric conservation law must be preserved. This is achieved by appropriately evaluating the Jacobian values associated with each cell. Accurate computation of contravariant velocities for unsteady flows using the momentum interpolation method on collocated, curvilinear grids was also addressed. Flutter computations were performed for the AGARD 445.6 wing at subsonic, transonic and supersonic Mach numbers. Unsteady computations were performed at various dynamic pressures to predict the flutter boundary. Results showed favorable agreement of experiment and previous numerical results. The computational methodology exhibited capabilities to predict both qualitative and quantitative features of aeroelasticity.

The Effect of Combined Magnetic Geometries on Thermally Driven Winds. II. Dipolar, Quadrupolar, and Octupolar Topologies

NASA Astrophysics Data System (ADS)

Finley, Adam J.; Matt, Sean P.

2018-02-01

During the lifetime of Sun-like or low-mass stars a significant amount of angular momentum is removed through magnetized stellar winds. This process is often assumed to be governed by the dipolar component of the magnetic field. However, observed magnetic fields can host strong quadrupolar and/or octupolar components, which may influence the resulting spin-down torque on the star. In Paper I, we used the MHD code PLUTO to compute steady-state solutions for stellar winds containing a mixture of dipole and quadrupole geometries. We showed the combined winds to be more complex than a simple sum of winds with these individual components. This work follows the same method as Paper I, including the octupole geometry, which not only increases the field complexity but also, more fundamentally, looks for the first time at combining the same symmetry family of fields, with the field polarity of the dipole and octupole geometries reversing over the equator (unlike the symmetric quadrupole). We show, as in Paper I, that the lowest-order component typically dominates the spin-down torque. Specifically, the dipole component is the most significant in governing the spin-down torque for mixed geometries and under most conditions for real stars. We present a general torque formulation that includes the effects of complex, mixed fields, which predicts the torque for all the simulations to within 20% precision, and the majority to within ≈5%. This can be used as an input for rotational evolution calculations in cases where the individual magnetic components are known.

Multimodal optical measurement in vitro of surface deformations and wall thickness of the pressurized aortic arch

NASA Astrophysics Data System (ADS)

Genovese, Katia; Humphrey, Jay D.

2015-04-01

Computational modeling of arterial mechanics continues to progress, even to the point of allowing the study of complex regions such as the aortic arch. Nevertheless, most prior studies assign homogeneous and isotropic material properties and constant wall thickness even when implementing patient-specific luminal geometries obtained from medical imaging. These assumptions are not due to computational limitations, but rather to the lack of spatially dense sets of experimental data that describe regional variations in mechanical properties and wall thickness in such complex arterial regions. In this work, we addressed technical challenges associated with in vitro measurement of overall geometry, full-field surface deformations, and regional wall thickness of the porcine aortic arch in its native anatomical configuration. Specifically, we combined two digital image correlation-based approaches, standard and panoramic, to track surface geometry and finite deformations during pressurization, with a 360-deg fringe projection system to contour the outer and inner geometry. The latter provided, for the first time, information on heterogeneous distributions of wall thickness of the arch and associated branches in the unloaded state. Results showed that mechanical responses vary significantly with orientation and location (e.g., less extensible in the circumferential direction and with increasing distance from the heart) and that the arch exhibits a nearly linear increase in pressure-induced strain up to 40%, consistent with other findings on proximal porcine aortas. Thickness measurements revealed strong regional differences, thus emphasizing the need to include nonuniform thicknesses in theoretical and computational studies of complex arterial geometries.

Interfacial gauge methods for incompressible fluid dynamics

PubMed Central

Saye, Robert

2016-01-01

Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of “gauge freedom” to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work, high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena. PMID:27386567

Experimental determination of dynamic parameters of an industrial robot

NASA Astrophysics Data System (ADS)

Banas, W.; Cwikła, G.; Foit, K.; Gwiazda, A.; Monica, Z.; Sekala, A.

2017-08-01

In an industry increasingly used are industrial robots. Commonly used are two basic methods of programming, on-line programming and off-line programming. In both cases, the programming consists in getting to the selected points record this position, and set the order of movement of the robot, and the introduction of logical tests. Such a program is easy to write, and it is suitable for most industrial applications. Especially when the process is known, respectively slow and unchanging. In this case, the program is being prepared for a universal model of the robot with the appropriate geometry and are checked only collisions. Is not taken into account the dynamics of the robot and how it will really behave while in motion. For this reason, the robot programmed to be tested at a reduced speed, which is raised gradually to the final value. Depending on the complexity of the move and the proximity of the elements it takes a lot of time. It is easy to notice that the robot at different speeds have different trajectories and behaves differently.

A topological study of gravity free-surface waves generated by bluff bodies using the method of steepest descents

PubMed Central

2016-01-01

The standard analytical approach for studying steady gravity free-surface waves generated by a moving body often relies upon a linearization of the physical geometry, where the body is considered asymptotically small in one or several of its dimensions. In this paper, a methodology that avoids any such geometrical simplification is presented for the case of steady-state flows at low speeds. The approach is made possible through a reduction of the water-wave equations to a complex-valued integral equation that can be studied using the method of steepest descents. The main result is a theory that establishes a correspondence between different bluff-bodied free-surface flow configurations, with the topology of the Riemann surface formed by the steepest descent paths. Then, when a geometrical feature of the body is modified, a corresponding change to the Riemann surface is observed, and the resultant effects to the water waves can be derived. This visual procedure is demonstrated for the case of two-dimensional free-surface flow past a surface-piercing ship and over an angled step in a channel. PMID:27493559

Ultrasonic Evaluation and Imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crawford, Susan L.; Anderson, Michael T.; Diaz, Aaron A.

2015-10-01

Ultrasonic evaluation of materials for material characterization and flaw detection is as simple as manually moving a single-element probe across a speci-men and looking at an oscilloscope display in real time or as complex as automatically (under computer control) scanning a phased-array probe across a specimen and collecting encoded data for immediate or off-line data analyses. The reliability of the results in the second technique is greatly increased because of a higher density of measurements per scanned area and measurements that can be more precisely related to the specimen geometry. This chapter will briefly discuss applications of the collection ofmore » spatially encoded data and focus primarily on the off-line analyses in the form of data imaging. Pacific Northwest National Laboratory (PNNL) has been involved with as-sessing and advancing the reliability of inservice inspections of nuclear power plant components for over 35 years. Modern ultrasonic imaging techniques such as the synthetic aperture focusing technique (SAFT), phased-array (PA) technolo-gy and sound field mapping have undergone considerable improvements to effec-tively assess and better understand material constraints.« less

A preliminary investigation of ROI-image reconstruction with the rebinned BPF algorithm

NASA Astrophysics Data System (ADS)

Bian, Junguo; Xia, Dan; Yu, Lifeng; Sidky, Emil Y.; Pan, Xiaochuan

2008-03-01

The back-projection filtration (BPF)algorithm is capable of reconstructing ROI images from truncated data acquired with a wide class of general trajectories. However, it has been observed that, similar to other algorithms for convergent beam geometries, the BPF algorithm involves a spatially varying weighting factor in the backprojection step. This weighting factor can not only increase the computation load, but also amplify the noise in reconstructed images The weighting factor can be eliminated by appropriately rebinning the measured cone-beam data into fan-parallel-beam data. Such an appropriate data rebinning not only removes the weighting factor, but also retain other favorable properties of the BPF algorithm. In this work, we conduct a preliminary study of the rebinned BPF algorithm and its noise property. Specifically, we consider an application in which the detector and source can move in several directions for achieving ROI data acquisition. The combined motion of the detector and source generally forms a complex trajectory. We investigate in this work image reconstruction within an ROI from data acquired in this kind of applications.

A Laminar Model for the Magnetic Field Structure in Bow-Shock Pulsar Wind Nebulae

NASA Astrophysics Data System (ADS)

Bucciantini, N.

2018-05-01

Bow Shock Pulsar Wind Nebulae are a class of non-thermal sources, that form when the wind of a pulsar moving at supersonic speed interacts with the ambient medium, either the ISM or in a few cases the cold ejecta of the parent supernova. These systems have attracted attention in recent years, because they allow us to investigate the properties of the pulsar wind in a different environment from that of canonical Pulsar Wind Nebulae in Supernova Remnants. However, due to the complexity of the interaction, a full-fledged multidimensional analysis is still laking. We present here a simplified approach, based on Lagrangian tracers, to model the magnetic field structure in these systems, and use it to compute the magnetic field geometry, for various configurations in terms of relative orientation of the magnetic axis, pulsar speed and observer direction. Based on our solutions we have computed a set of radio emission maps, including polarization, to investigate the variety of possible appearances, and how the observed emission pattern can be used to constrain the orientation of the system, and the possible presence of turbulence.

Constructing Models in Teaching of Chemical Bonds: Ionic Bond, Covalent Bond, Double and Triple Bonds, Hydrogen Bond and Molecular Geometry

ERIC Educational Resources Information Center

Uce, Musa

2015-01-01

Studies in chemistry education show that chemistry topics are considered as abstract, complicated and hard to understand by students. For this reason, it is important to develop new materials and use them in classes for better understanding of abstract concepts. Moving from this point, a student-centered research guided by a teacher was conducted…

A Graphical User Interface for the Low Cost Combat Direction System

DTIC Science & Technology

1991-09-16

the same tasks. These shipboard tasks, which include contact management , moving geometry calculations, intelligence compila- tion, area plotting and...Display Defaults Analysis This category covers a wide range of required data input and system configuration issues. To keep the screen display manageable ...parts or dialog boxes. The implementation of an Ada application using STARS is quite straightforward, although knowlede of X Protocol primitives is

Linear energy relationships for the octahedral preference of Mg, Ca and transition metal ions.

PubMed

Pontikis, George; Borden, James; Martínek, Václav; Florián, Jan

2009-04-16

The geometry, atomic charges, force constants, and relative energies of the symmetric and distorted M(2+)(H(2)O)(4)(F(-))(2), M(3+)(H(2)O)(4)(F(-))(2), M(2+)(H(2)O)(3)(F(-))(2), and M(3+)(H(2)O)(3)(F(-))(2) metal complexes, M = Mg, Ca, Co, Cu, Fe, Mn, Ni, Zn, Cr, V, were calculated by using the B3LYP/TZVP density functional method in both gas phase and aqueous solution, modeled using the polarized continuum model. The deformation energy associated with moving one water ligand 12 degrees from the initial "octahedral" arrangement, in which all O-M-O, O-M-F, and F-M-F angles are either 90 degrees or 180 degrees, was calculated to examine the angular ligand flexibility. For all M(2+)(H(2)O)(4)(F(-))(2) complexes, this distortion increased the energy of the complex in proportion to the electrostatic potential-derived (ESP) charge of the metal, and in proportion to D(-10), where D is the distance from the distorted ligand to its closest neighbor. The octahedral stability was further examined by calculating the energies for the removal of a water ligand from the octahedral complex to form a square-pyramidal or trigonal-bipyramidal complex. The octahedral preference, defined as the negative of the corresponding binding energy of the ligand, was found to linearly correlate with the ESP charge of the metal in both the gas phase and aqueous solution. The obtained results indicate that quantum-mechanical covalent effects are of secondary importance for both the flexibility and the octahedral preference of M(2+)(H(2)O)(4)(F(-))(2) and M(3+)(H(2)O)(4)(F(-))(2) complexes. This conclusion and supporting data are important for the development of consistent molecular mechanical force fields of the studied metal ions.

Red/near-infrared luminescence tuning of group-14 element complexes of dipyrrins based on a central atom.

PubMed

Yamamura, Masaki; Albrecht, Marcel; Albrecht, Markus; Nishimura, Yoshinobu; Arai, Tatsuo; Nabeshima, Tatsuya

2014-02-03

A dipyrrin complex has been one of the most utilized fluorescent dyes, and a variety of dipyrrin complexes show intriguing functions based on the various coordination structures of the central element. We now report the synthesis, structure, and photophysical properties of germanium and stannane complexes of the N2O2-type tetradentate dipyrrin, L·Ge and L·Sn, which are heavier analogues of the previously reported dipyrrin silicon complex, L·Si. The central group-14 atoms of the monomeric complexes have geometries close to trigonal bipyramidal (TBP), in which the contribution of the square-pyramidal (SP) character becomes higher as the central atom is heavier. Interestingly, L·Sn formed a dimeric structure in the crystal. All complexes L·Si, L·Ge, and L·Sn showed a fluorescence in the red/NIR region. Fluorescence quantum yields of L·Ge and L·Sn are higher than that of L·Si. These results indicated that the central atom on the dipyrrin complexes contributes not only to the geometry difference but also to tuning the fluorescence properties.

The game of go as a complex network

NASA Astrophysics Data System (ADS)

Georgeot, Bertrand; Giraud, Olivier; Kandiah, Vivek

2014-03-01

We have studied the game of go, one of the most ancient and complex board games, from a complex network perspective. We have defined a proper categorization of moves taking into account the local environment, and shown that in this case Zipf's law emerges from data taken from real games. The network shows differences between professional and amateur games, different level of amateurs, or different phases of the game. Certain eigenvectors are localized on specific groups of moves which correspond to different strategies (communities of moves). The point of view developed should allow to better modelize such games and could also help to design simulators which could in the future beat good human players. Our approach could be used for other types of games, and in parallel shed light on the human decision making process.

Limitations of correlation-based redatuming methods

NASA Astrophysics Data System (ADS)

Barrera P, D. F.; Schleicher, J.; van der Neut, J.

2017-12-01

Redatuming aims to correct seismic data for the consequences of an acquisition far from the target. That includes the effects of an irregular acquisition surface and of complex geological structures in the overburden such as strong lateral heterogeneities or layers with low or very high velocity. Interferometric techniques can be used to relocate sources to positions where only receivers are available and have been used to move acquisition geometries to the ocean bottom or transform data between surface-seismic and vertical seismic profiles. Even if no receivers are available at the new datum, the acquisition system can be relocated to any datum in the subsurface to which the propagation of waves can be modeled with sufficient accuracy. By correlating the modeled wavefield with seismic surface data, one can carry the seismic acquisition geometry from the surface closer to geologic horizons of interest. Specifically, we show the derivation and approximation of the one-sided seismic interferometry equation for surface-data redatuming, conveniently using Green’s theorem for the Helmholtz equation with density variation. Our numerical examples demonstrate that correlation-based single-boundary redatuming works perfectly in a homogeneous overburden. If the overburden is inhomogeneous, primary reflections from deeper interfaces are still repositioned with satisfactory accuracy. However, in this case artifacts are generated as a consequence of incorrectly redatumed overburden multiples. These artifacts get even worse if the complete wavefield is used instead of the direct wavefield. Therefore, we conclude that correlation-based interferometric redatuming of surface-seismic data should always be applied using direct waves only, which can be approximated with sufficient quality if a smooth velocity model for the overburden is available.

Modal mass estimation from ambient vibrations measurement: A method for civil buildings

NASA Astrophysics Data System (ADS)

Acunzo, G.; Fiorini, N.; Mori, F.; Spina, D.

2018-01-01

A new method for estimating the modal mass ratios of buildings from unscaled mode shapes identified from ambient vibrations is presented. The method is based on the Multi Rigid Polygons (MRP) model in which each floor of the building is ideally divided in several non-deformable polygons that move independent of each other. The whole mass of the building is concentrated in the centroid of the polygons and the experimental mode shapes are expressed in term of rigid translations and of rotations. In this way, the mass matrix of the building can be easily computed on the basis of simple information about the geometry and the materials of the structure. The modal mass ratios can be then obtained through the classical equation of structural dynamics. Ambient vibrations measurement must be performed according to this MRP models, using at least two biaxial accelerometers per polygon. After a brief illustration of the theoretical background of the method, numerical validations are presented analysing the method sensitivity for possible different source of errors. Quality indexes are defined for evaluating the approximation of the modal mass ratios obtained from a certain MRP model. The capability of the proposed model to be applied to real buildings is illustrated through two experimental applications. In the first one, a geometrically irregular reinforced concrete building is considered, using a calibrated Finite Element Model for validating the results of the method. The second application refers to a historical monumental masonry building, with a more complex geometry and with less information available. In both cases, MRP models with a different number of rigid polygons per floor are compared.

Glycine and metformin as new counter ions for mono and dinuclear vanadium(V)-dipicolinic acid complexes based on the insulin-enhancing anions: Synthesis, spectroscopic characterization and crystal structure

NASA Astrophysics Data System (ADS)

Ghasemi, Fatemeh; Rezvani, Ali Reza; Ghasemi, Khaled; Graiff, Claudia

2018-02-01

Complexes [VO(dipic) (H2O)2]·2H2O (1), [H2Met][V2O4(dipic)2] (2) and [HGly][VO2(dipic)] (3), where H2dipic = 2,6-pyridinedicarboxylic acid, Met = Metformin (N,N-dimethylbiguanide) and Gly = glycine, were synthesized. The three complexes were characterized by elemental analysis, FTIR, 1H and 13C NMR, and UV-Vis spectroscopy. Solid-state structures of (2) and (3) were determined by single-crystal X-ray diffraction analysis. The coordination geometry around the vanadium atoms in 2 is octahedral, while the coordination geometry in 3 is between trigonal bipyramidal and squared pyramidal. In the binuclear complex 2 and mononuclear complex 3, metformin and glycine are diprotonated and monoprotonated respectively, and act as a counter ion. The redox behavior of the complexes was also investigated by cyclic voltammetry.

Complexity-action duality of the shock wave geometry in a massive gravity theory

NASA Astrophysics Data System (ADS)

Miao, Yan-Gang; Zhao, Long

2018-01-01

On the holographic complexity dual to the bulk action, we investigate the action growth for a shock wave geometry in a massive gravity theory within the Wheeler-DeWitt (WDW) patch at the late time limit. For a global shock wave, the graviton mass does not affect the action growth in the bulk, i.e., the complexity on the boundary, showing that the action growth (complexity) is the same for both the Einstein gravity and the massive gravity. Nevertheless, for a local shock wave that depends on transverse coordinates, the action growth (complexity) caused by the boundary disturbance (perturbation) is proportional to the butterfly velocity for the two gravity theories, but the butterfly velocity of the massive gravity theory is smaller than that of the Einstein gravity theory, indicating that the action growth (complexity) of the massive gravity is depressed by the graviton mass. In addition, we extend the black hole thermodynamics of the massive gravity and obtain the right Smarr formula.

A linguistic geometry for space applications

NASA Technical Reports Server (NTRS)

Stilman, Boris

1994-01-01

We develop a formal theory, the so-called Linguistic Geometry, in order to discover the inner properties of human expert heuristics, which were successful in a certain class of complex control systems, and apply them to different systems. This research relies on the formalization of search heuristics of high-skilled human experts which allow for the decomposition of complex system into the hierarchy of subsystems, and thus solve intractable problems reducing the search. The hierarchy of subsystems is represented as a hierarchy of formal attribute languages. This paper includes a formal survey of the Linguistic Geometry, and new example of a solution of optimization problem for the space robotic vehicles. This example includes actual generation of the hierarchy of languages, some details of trajectory generation and demonstrates the drastic reduction of search in comparison with conventional search algorithms.

Magnetic zero-modes, vortices and Cartan geometry

NASA Astrophysics Data System (ADS)

Ross, Calum; Schroers, Bernd J.

2018-04-01

We exhibit a close relation between vortex configurations on the 2-sphere and magnetic zero-modes of the Dirac operator on R^3 which obey an additional nonlinear equation. We show that both are best understood in terms of the geometry induced on the 3-sphere via pull-back of the round geometry with bundle maps of the Hopf fibration. We use this viewpoint to deduce a manifestly smooth formula for square-integrable magnetic zero-modes in terms of two homogeneous polynomials in two complex variables.

High-resolution subject-specific mitral valve imaging and modeling: experimental and computational methods.

PubMed

Toma, Milan; Bloodworth, Charles H; Einstein, Daniel R; Pierce, Eric L; Cochran, Richard P; Yoganathan, Ajit P; Kunzelman, Karyn S

2016-12-01

The diversity of mitral valve (MV) geometries and multitude of surgical options for correction of MV diseases necessitates the use of computational modeling. Numerical simulations of the MV would allow surgeons and engineers to evaluate repairs, devices, procedures, and concepts before performing them and before moving on to more costly testing modalities. Constructing, tuning, and validating these models rely upon extensive in vitro characterization of valve structure, function, and response to change due to diseases. Micro-computed tomography ([Formula: see text]CT) allows for unmatched spatial resolution for soft tissue imaging. However, it is still technically challenging to obtain an accurate geometry of the diastolic MV. We discuss here the development of a novel technique for treating MV specimens with glutaraldehyde fixative in order to minimize geometric distortions in preparation for [Formula: see text]CT scanning. The technique provides a resulting MV geometry which is significantly more detailed in chordal structure, accurate in leaflet shape, and closer to its physiological diastolic geometry. In this paper, computational fluid-structure interaction (FSI) simulations are used to show the importance of more detailed subject-specific MV geometry with 3D chordal structure to simulate a proper closure validated against [Formula: see text]CT images of the closed valve. Two computational models, before and after use of the aforementioned technique, are used to simulate closure of the MV.

Innovation Study for Laser Cutting of Complex Geometries with Paper Materials

NASA Astrophysics Data System (ADS)

Happonen, A.; Stepanov, A.; Piili, H.; Salminen, A.

Even though technology for laser cutting of paper materials has existed for over 30 years, it seems that results of applications of this technology and possibilities of laser cutting systems are not easily available. The aim of this study was to analyze the feasibility of the complex geometry laser cutting of paper materials and to analyze the innovation challenges and potential of current laser cutting technologies offer. This research studied the potential and possible challenges in applying CO2 laser cutting technology for cutting of paper materials in current supply chains trying to fulfil the changing needs of customer in respect of shape, fast response during rapid delivery cycle. The study is focused on examining and analyzing the different possibilities of laser cutting of paper material in application area of complex low volume geometry cutting. The goal of this case was to analyze the feasibility of the laser cutting from technical, quality and implementation points of view and to discuss availability of new business opportunities. It was noticed that there are new business models still available within laser technology applications in complex geometry cutting. Application of laser technology, in business-to-consume markets, in synergy with Internet service platforms can widen the customer base and offer new value streams for technology and service companies. Because of this, existing markets and competition has to be identified, and appropriate new and innovative business model needs to be developed. And to be competitive in the markets, models like these need to include the earning logic and the stages from production to delivery as discussed in the paper.

A Unified Overset Grid Generation Graphical Interface and New Concepts on Automatic Gridding Around Surface Discontinuities

NASA Technical Reports Server (NTRS)

Chan, William M.; Akien, Edwin (Technical Monitor)

2002-01-01

For many years, generation of overset grids for complex configurations has required the use of a number of different independently developed software utilities. Results created by each step were then visualized using a separate visualization tool before moving on to the next. A new software tool called OVERGRID was developed which allows the user to perform all the grid generation steps and visualization under one environment. OVERGRID provides grid diagnostic functions such as surface tangent and normal checks as well as grid manipulation functions such as extraction, extrapolation, concatenation, redistribution, smoothing, and projection. Moreover, it also contains hyperbolic surface and volume grid generation modules that are specifically suited for overset grid generation. It is the first time that such a unified interface existed for the creation of overset grids for complex geometries. New concepts on automatic overset surface grid generation around surface discontinuities will also be briefly presented. Special control curves on the surface such as intersection curves, sharp edges, open boundaries, are called seam curves. The seam curves are first automatically extracted from a multiple panel network description of the surface. Points where three or more seam curves meet are automatically identified and are called seam corners. Seam corner surface grids are automatically generated using a singular axis topology. Hyperbolic surface grids are then grown from the seam curves that are automatically trimmed away from the seam corners.

How plume-ridge interaction shapes the crustal thickness pattern of the Réunion hotspot track

NASA Astrophysics Data System (ADS)

Bredow, Eva; Steinberger, Bernhard; Gassmöller, Rene; Dannberg, Juliane

2017-08-01

The Réunion mantle plume has shaped a large area of the Earth's surface over the past 65 million years: from the Deccan Traps in India along the hotspot track comprising the island chains of the Laccadives, Maldives, and Chagos Bank on the Indian plate and the Mascarene Plateau on the African plate up to the currently active volcanism at La Réunion Island. This study addresses the question how the Réunion plume, especially in interaction with the Central Indian Ridge, created the complex crustal thickness pattern of the hotspot track. For this purpose, the mantle convection code ASPECT was used to design three-dimensional numerical models, which consider the specific location of the plume underneath moving plates and surrounded by large-scale mantle flow. The results show the crustal thickness pattern produced by the plume, which altogether agrees well with topographic maps. Especially two features are consistently reproduced by the models: the distinctive gap in the hotspot track between the Maldives and Chagos is created by the combination of the ridge geometry and plume-ridge interaction; and the Rodrigues Ridge, a narrow crustal structure which connects the hotspot track and the Central Indian Ridge, appears as the surface expression of a long-distance sublithospheric flow channel. This study therefore provides further insight how small-scale surface features are generated by the complex interplay between mantle and lithospheric processes.

Progress in incompressible Navier-Stokes computations for propulsion flows and its dual-use applications

NASA Technical Reports Server (NTRS)

Kiris, Cetin

1995-01-01

Development of an incompressible Navier-Stokes solution procedure was performed for the analysis of a liquid rocket engine pump components and for the mechanical heart assist devices. The solution procedure for the propulsion systems is applicable to incompressible Navier-Stokes flows in a steadily rotating frame of reference for any general complex configurations. The computer codes were tested on different complex configurations such as liquid rocket engine inducer and impellers. As a spin-off technology from the turbopump component simulations, the flow analysis for an axial heart pump was conducted. The baseline Left Ventricular Assist Device (LVAD) design was improved by adding an inducer geometry by adapting from the liquid rocket engine pump. The time-accurate mode of the incompressible Navier-Stokes code was validated with flapping foil experiment by using different domain decomposition methods. In the flapping foil experiment, two upstream NACA 0025 foils perform high-frequency synchronized motion and generate unsteady flow conditions for a downstream larger stationary foil. Fairly good agreement was obtained between unsteady experimental data and numerical results from two different moving boundary procedures. Incompressible Navier-Stokes code (INS3D) has been extended for heat transfer applications. The temperature equation was written for both forced and natural convection phenomena. Flow in a square duct case was used for the validation of the code in both natural and forced convection.

Three-bead steering microswimmers

NASA Astrophysics Data System (ADS)

Rizvi, Mohd Suhail; Farutin, Alexander; Misbah, Chaouqi

2018-02-01

The self-propelled microswimmers have recently attracted considerable attention as model systems for biological cell migration as well as artificial micromachines. A simple and well-studied microswimmer model consists of three identical spherical beads joined by two springs in a linear fashion with active oscillatory forces being applied on the beads to generate self-propulsion. We have extended this linear microswimmer configuration to a triangular geometry where the three beads are connected by three identical springs in an equilateral triangular manner. The active forces acting on each spring can lead to autonomous steering motion; i.e., allowing the swimmer to move along arbitrary paths. We explore the microswimmer dynamics analytically and pinpoint its rich character depending on the nature of the active forces. The microswimmers can translate along a straight trajectory, rotate at a fixed location, as well as perform a simultaneous translation and rotation resulting in complex curved trajectories. The sinusoidal active forces on the three springs of the microswimmer contain naturally four operating parameters which are more than required for the steering motion. We identify the minimal operating parameters which are essential for the motion of the microswimmer along any given arbitrary trajectory. Therefore, along with providing insights into the mechanics of the complex motion of the natural and artificial microswimmers, the triangular three-bead microswimmer can be utilized as a model for targeted drug delivery systems and autonomous underwater vehicles where intricate trajectories are involved.

Nonreciprocal lasing in topological cavities of arbitrary geometries

NASA Astrophysics Data System (ADS)

Bahari, Babak; Ndao, Abdoulaye; Vallini, Felipe; El Amili, Abdelkrim; Fainman, Yeshaiahu; Kanté, Boubacar

2017-11-01

Resonant cavities are essential building blocks governing many wave-based phenomena, but their geometry and reciprocity fundamentally limit the integration of optical devices. We report, at telecommunication wavelengths, geometry-independent and integrated nonreciprocal topological cavities that couple stimulated emission from one-way photonic edge states to a selected waveguide output with an isolation ratio in excess of 10 decibels. Nonreciprocity originates from unidirectional edge states at the boundary between photonic structures with distinct topological invariants. Our experimental demonstration of lasing from topological cavities provides the opportunity to develop complex topological circuitry of arbitrary geometries for the integrated and robust generation and transport of photons in classical and quantum regimes.

Interaction of compass sensing and object-motion detection in the locust central complex.

PubMed

Bockhorst, Tobias; Homberg, Uwe

2017-07-01

Goal-directed behavior is often complicated by unpredictable events, such as the appearance of a predator during directed locomotion. This situation requires adaptive responses like evasive maneuvers followed by subsequent reorientation and course correction. Here we study the possible neural underpinnings of such a situation in an insect, the desert locust. As in other insects, its sense of spatial orientation strongly relies on the central complex, a group of midline brain neuropils. The central complex houses sky compass cells that signal the polarization plane of skylight and thus indicate the animal's steering direction relative to the sun. Most of these cells additionally respond to small moving objects that drive fast sensory-motor circuits for escape. Here we investigate how the presentation of a moving object influences activity of the neurons during compass signaling. Cells responded in one of two ways: in some neurons, responses to the moving object were simply added to the compass response that had adapted during continuous stimulation by stationary polarized light. By contrast, other neurons disadapted, i.e., regained their full compass response to polarized light, when a moving object was presented. We propose that the latter case could help to prepare for reorientation of the animal after escape. A neuronal network based on central-complex architecture can explain both responses by slight changes in the dynamics and amplitudes of adaptation to polarized light in CL columnar input neurons of the system. NEW & NOTEWORTHY Neurons of the central complex in several insects signal compass directions through sensitivity to the sky polarization pattern. In locusts, these neurons also respond to moving objects. We show here that during polarized-light presentation, responses to moving objects override their compass signaling or restore adapted inhibitory as well as excitatory compass responses. A network model is presented to explain the variations of these responses that likely serve to redirect flight or walking following evasive maneuvers. Copyright © 2017 the American Physiological Society.

Rubber pad forming - Efficient approach for the manufacturing of complex structured sheet metal blanks for food industry

NASA Astrophysics Data System (ADS)

Spoelstra, Paul; Djakow, Eugen; Homberg, Werner

2017-10-01

The production of complex organic shapes in sheet metals is gaining more importance in the food industry due to increasing functional and hygienic demands. Hence it is necessary to produce parts with complex geometries promoting cleanability and general sanitation leading to improvement of food safety. In this context, and especially when stainless steel has to be formed into highly complex geometries while maintaining desired surface properties, it is inevitable that alternative manufacturing processes will need to be used which meet these requirements. Rubber pad forming offers high potential when it comes to shaping complex parts with excellent surface quality, with virtually no tool marks and scratches. Especially in cases where only small series are to be produced, rubber pad forming processes offers both technological and economic advantages. Due to the flexible punch, variation in metal thickness can be used with the same forming tool. The investments to set-up Rubber pad forming is low in comparison to conventional sheet metal forming processes. The process facilitates production of shallow sheet metal parts with complex contours and bends. Different bending sequences in a multiple tool set-up can also be conducted. The planned contribution thus describes a brief overview of the rubber pad technology. It shows the prototype rubber pad forming machine which can be used to perform complex part geometries made from stainless steel (1.4301). Based on an analysis of the already existing systems and new machines for rubber pad forming processes, together with their process properties, influencing variables and areas of application, some relevant parts for the food industry are presented.

Bending nanofibers into nanospirals: coordination chemistry as a tool for shaping hydrophobic assemblies.

PubMed

Kossoy, Elizaveta; Weissman, Haim; Rybtchinski, Boris

2015-01-02

In the current work, we demonstrate how coordination chemistry can be employed to direct self-assembly based on strong hydrophobic interactions. To investigate the influence of coordination sphere geometry on aqueous self-assembly, we synthesized complexes of the amphiphilic perylene diimide terpyridine ligand with the first-row transition-metal centers (zinc, cobalt, and nickel). In aqueous medium, aggregation of these complexes is induced by hydrophobic interactions between the ligands. However, the final shapes of the resulting assemblies depend on the preferred geometry of the coordination spheres typical for the particular metal center. The self-assembly process was characterized by UV/Vis spectroscopy, zeta potential measurements, and cryogenic transmission electron microscopy (cryo-TEM). Coordination of zinc(II) and cobalt(II) leads to the formation of unique nanospiral assemblies, whereas complexation of nickel(II) leads to the formation of straight nanofibers. Notably, coordination bonds are utilized not as connectors between elementary building blocks, but as directing interactions, enabling control over supramolecular geometry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of an explicit multiblock/multigrid flow solver for viscous flows in complex geometries

NASA Technical Reports Server (NTRS)

Steinthorsson, E.; Liou, M. S.; Povinelli, L. A.

1993-01-01

A new computer program is being developed for doing accurate simulations of compressible viscous flows in complex geometries. The code employs the full compressible Navier-Stokes equations. The eddy viscosity model of Baldwin and Lomax is used to model the effects of turbulence on the flow. A cell centered finite volume discretization is used for all terms in the governing equations. The Advection Upwind Splitting Method (AUSM) is used to compute the inviscid fluxes, while central differencing is used for the diffusive fluxes. A four-stage Runge-Kutta time integration scheme is used to march solutions to steady state, while convergence is enhanced by a multigrid scheme, local time-stepping, and implicit residual smoothing. To enable simulations of flows in complex geometries, the code uses composite structured grid systems where all grid lines are continuous at block boundaries (multiblock grids). Example results shown are a flow in a linear cascade, a flow around a circular pin extending between the main walls in a high aspect-ratio channel, and a flow of air in a radial turbine coolant passage.

Development of an explicit multiblock/multigrid flow solver for viscous flows in complex geometries

NASA Technical Reports Server (NTRS)

Steinthorsson, E.; Liou, M.-S.; Povinelli, L. A.

1993-01-01

A new computer program is being developed for doing accurate simulations of compressible viscous flows in complex geometries. The code employs the full compressible Navier-Stokes equations. The eddy viscosity model of Baldwin and Lomax is used to model the effects of turbulence on the flow. A cell centered finite volume discretization is used for all terms in the governing equations. The Advection Upwind Splitting Method (AUSM) is used to compute the inviscid fluxes, while central differencing is used for the diffusive fluxes. A four-stage Runge-Kutta time integration scheme is used to march solutions to steady state, while convergence is enhanced by a multigrid scheme, local time-stepping and implicit residual smoothing. To enable simulations of flows in complex geometries, the code uses composite structured grid systems where all grid lines are continuous at block boundaries (multiblock grids). Example results are shown a flow in a linear cascade, a flow around a circular pin extending between the main walls in a high aspect-ratio channel, and a flow of air in a radial turbine coolant passage.

Large calculation of the flow over a hypersonic vehicle using a GPU

NASA Astrophysics Data System (ADS)

Elsen, Erich; LeGresley, Patrick; Darve, Eric

2008-12-01

Graphics processing units are capable of impressive computing performance up to 518 Gflops peak performance. Various groups have been using these processors for general purpose computing; most efforts have focussed on demonstrating relatively basic calculations, e.g. numerical linear algebra, or physical simulations for visualization purposes with limited accuracy. This paper describes the simulation of a hypersonic vehicle configuration with detailed geometry and accurate boundary conditions using the compressible Euler equations. To the authors' knowledge, this is the most sophisticated calculation of this kind in terms of complexity of the geometry, the physical model, the numerical methods employed, and the accuracy of the solution. The Navier-Stokes Stanford University Solver (NSSUS) was used for this purpose. NSSUS is a multi-block structured code with a provably stable and accurate numerical discretization which uses a vertex-based finite-difference method. A multi-grid scheme is used to accelerate the solution of the system. Based on a comparison of the Intel Core 2 Duo and NVIDIA 8800GTX, speed-ups of over 40× were demonstrated for simple test geometries and 20× for complex geometries.

A Cartesian-based embedded geometry technique with adaptive high-order finite differences for compressible flow around complex geometries

NASA Astrophysics Data System (ADS)

Uddin, H.; Kramer, R. M. J.; Pantano, C.

2014-04-01

An immersed boundary methodology to solve the compressible Navier-Stokes equations around complex geometries in Cartesian fluid dynamics solvers is described. The objective of the new approach is to enable smooth reconstruction of pressure and viscous stresses around the embedded objects without spurious numerical artifacts. A standard level set represents the boundary of the object and defines a fictitious domain into which the flow fields are smoothly extended. Boundary conditions on the surface are enforced by an approach inspired by analytic continuation. Each fluid field is extended independently, constrained only by the boundary condition associated with that field. Unlike most existing methods, no jump conditions or explicit derivation of them from the boundary conditions are required in this approach. Numerical stiffness that arises when the fluid-solid interface is close to grid points of the mesh is addressed by preconditioning. In addition, the embedded geometry technique is coupled with a stable high-order adaptive discretization that is enabled around the object boundary to enhance resolution. The stencils used to transition the order of accuracy of the discretization are derived using the summation-by-parts technique that ensures stability. Applications to shock reflections, shock-ramp interactions, and supersonic and low-Mach number flows over two- and three-dimensional geometries are presented.

Four-coordinate, 14-electron Ru(II) complexes: unusual trigonal pyramidal geometry enforced by bis(phosphino)silyl ligation.

PubMed

MacInnis, Morgan C; McDonald, Robert; Ferguson, Michael J; Tobisch, Sven; Turculet, Laura

2011-08-31

Unprecedented diamagnetic, four-coordinate, formally 14-electron (Cy-PSiP)RuX (Cy-PSiP = [κ(3)-(2-R(2)PC(6)H(4))(2)SiMe](-); X = amido, alkoxo) complexes that do not require agostic stabilization and that adopt a highly unusual trigonal pyramidal coordination geometry are reported. The tertiary silane [(2-Cy(2)PC(6)H(4))(2)SiMe]H ((Cy-PSiP)H) reacted with 0.5 [(p-cymene)RuCl(2)](2) in the presence of Et(3)N and PCy(3) to afford [(Cy-PSiP)RuCl](2) (1) in 74% yield. Treatment of 1 with KO(t)Bu led to the formation of (Cy-PSiP)RuO(t)Bu (2, 97% yield), which was crystallographically characterized and shown to adopt a trigonal pyramidal coordination geometry in the solid state. Treatment of 1 with NaN(SiMe(3))(2) led to the formation of (Cy-PSiP)RuN(SiMe(3))(2) (3, 70% yield), which was also found to adopt a trigonal pyramidal coordination geometry in the solid state. The related anilido complexes (Cy-PSiP)RuNH(2,6-R(2)C(6)H(3)) (4, R = H; 5, R = Me) were also prepared in >90% yields by treating 1 with LiNH(2,6-R(2)C(6)H(3)) (R = H, Me) reagents. The solid state structure of 5 indicates a monomeric trigonal pyramidal complex that features a C-H agostic interaction. Complexes 2 and 3 were found to react readily with 1 equiv of H(2)O to form the dimeric hydroxo-bridged complex [(Cy-PSiP)RuOH](2) (6, 94% yield), which was crystallographically characterized. Complexes 2 and 3 also reacted with 1 equiv of PhOH to form the new 18-electron η(5)-oxocyclohexadienyl complex (Cy-PSiP)Ru(η(5)-C(6)H(5)O) (7, 84% yield). Both amido and alkoxo (Cy-PSiP)RuX complexes reacted with H(3)B·NHRR' reagents to form bis(σ-B-H) complexes of the type (Cy-PSiP)RuH(η(2):η(2)-H(2)BNRR') (8, R = R' = H; 9, R = R' = Me; 10, R = H, R' = (t)Bu), which illustrates that such four-coordinate (Cy-PSiP)RuX (X = amido, alkoxo) complexes are able to undergo multiple E-H (E = main group element) bond activation steps. Computational methods were used to investigate structurally related PCP, PPP, PNP, and PSiP four-coordinate Ru complexes and confirmed the key role of the strongly σ-donating silyl group of the PSiP ligand set in enforcing the unusual trigonal pyramidal coordination geometry featured in complexes 2-5, thus substantiating a new strategy for the synthesis of low-coordinate Ru species. The mechanism of the activation of ammonia-borane by such low-coordinate (R-PSiP)RuX (X = amido, alkoxo) species was also studied computationally and was determined to proceed most likely in a stepwise fashion via intramolecular deprotonation of ammonia and subsequent borane B-H bond oxidative addition steps.

3D printing of bacteria into functional complex materials.

PubMed

Schaffner, Manuel; Rühs, Patrick A; Coulter, Fergal; Kilcher, Samuel; Studart, André R

2017-12-01

Despite recent advances to control the spatial composition and dynamic functionalities of bacteria embedded in materials, bacterial localization into complex three-dimensional (3D) geometries remains a major challenge. We demonstrate a 3D printing approach to create bacteria-derived functional materials by combining the natural diverse metabolism of bacteria with the shape design freedom of additive manufacturing. To achieve this, we embedded bacteria in a biocompatible and functionalized 3D printing ink and printed two types of "living materials" capable of degrading pollutants and of producing medically relevant bacterial cellulose. With this versatile bacteria-printing platform, complex materials displaying spatially specific compositions, geometry, and properties not accessed by standard technologies can be assembled from bottom up for new biotechnological and biomedical applications.

3D printing of bacteria into functional complex materials

PubMed Central

Schaffner, Manuel; Rühs, Patrick A.; Coulter, Fergal; Kilcher, Samuel; Studart, André R.

2017-01-01

Despite recent advances to control the spatial composition and dynamic functionalities of bacteria embedded in materials, bacterial localization into complex three-dimensional (3D) geometries remains a major challenge. We demonstrate a 3D printing approach to create bacteria-derived functional materials by combining the natural diverse metabolism of bacteria with the shape design freedom of additive manufacturing. To achieve this, we embedded bacteria in a biocompatible and functionalized 3D printing ink and printed two types of “living materials” capable of degrading pollutants and of producing medically relevant bacterial cellulose. With this versatile bacteria-printing platform, complex materials displaying spatially specific compositions, geometry, and properties not accessed by standard technologies can be assembled from bottom up for new biotechnological and biomedical applications. PMID:29214219

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks andmore » processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aagesen, Larry K.; Thornton, Katsuyo, E-mail: kthorn@umich.edu; Coltrin, Michael E.

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. The model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. The model provides a route to optimize masks and processing conditions during materialsmore » synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

Electronic structure and reactivity of three-coordinate iron complexes.

PubMed

Holland, Patrick L

2008-08-01

[Reaction: see text]. The identity and oxidation state of the metal in a coordination compound are typically thought to be the most important determinants of its reactivity. However, the coordination number (the number of bonds to the metal) can be equally influential. This Account describes iron complexes with a coordination number of only three, which differ greatly from iron complexes with octahedral (six-coordinate) geometries with respect to their magnetism, electronic structure, preference for ligands, and reactivity. Three-coordinate complexes with a trigonal-planar geometry are accessible using bulky, anionic, bidentate ligands (beta-diketiminates) that steer a monodentate ligand into the plane of their two nitrogen donors. This strategy has led to a variety of three-coordinate iron complexes in which iron is in the +1, +2, and +3 oxidation states. Systematic studies on the electronic structures of these complexes have been useful in interpreting their properties. The iron ions are generally high spin, with singly occupied orbitals available for pi interactions with ligands. Trends in sigma-bonding show that iron(II) complexes favor electronegative ligands (O, N donors) over electropositive ligands (hydride). The combination of electrostatic sigma-bonding and the availability of pi-interactions stabilizes iron(II) fluoride and oxo complexes. The same factors destabilize iron(II) hydride complexes, which are reactive enough to add the hydrogen atom to unsaturated organic molecules and to take part in radical reactions. Iron(I) complexes use strong pi-backbonding to transfer charge from iron into coordinated alkynes and N 2, whereas iron(III) accepts charge from a pi-donating imido ligand. Though the imidoiron(III) complex is stabilized by pi-bonding in the trigonal-planar geometry, addition of pyridine as a fourth donor weakens the pi-bonding, which enables abstraction of H atoms from hydrocarbons. The unusual bonding and reactivity patterns of three-coordinate iron compounds may lead to new catalysts for oxidation and reduction reactions and may be used by nature in transient intermediates of nitrogenase enzymes.

Cognitive Complexity of Mathematics Instructional Tasks in a Taiwanese Classroom: An Examination of Task Sources

ERIC Educational Resources Information Center

Hsu, Hui-Yu; Silver, Edward A.

2014-01-01

We examined geometric calculation with number tasks used within a unit of geometry instruction in a Taiwanese classroom, identifying the source of each task used in classroom instruction and analyzing the cognitive complexity of each task with respect to 2 distinct features: diagram complexity and problem-solving complexity. We found that…

Using SpaceClaimTD Direct for Modeling Components with Complex Geometries for the Thermal Desktop-Based Advanced Stirling Radioisotope Generator Model

NASA Technical Reports Server (NTRS)

Fabanich, William A., Jr.

2014-01-01

SpaceClaim/TD Direct has been used extensively in the development of the Advanced Stirling Radioisotope Generator (ASRG) thermal model. This paper outlines the workflow for that aspect of the task and includes proposed best practices and lessons learned. The ASRG thermal model was developed to predict component temperatures and power output and to provide insight into the prime contractor's thermal modeling efforts. The insulation blocks, heat collectors, and cold side adapter flanges (CSAFs) were modeled with this approach. The model was constructed using mostly TD finite difference (FD) surfaces/solids. However, some complex geometry could not be reproduced with TD primitives while maintaining the desired degree of geometric fidelity. Using SpaceClaim permitted the import of original CAD files and enabled the defeaturing/repair of those geometries. TD Direct (a SpaceClaim add-on from CRTech) adds features that allowed the "mark-up" of that geometry. These so-called "mark-ups" control how finite element (FE) meshes are to be generated through the "tagging" of features (e.g. edges, solids, surfaces). These tags represent parameters that include: submodels, material properties, material orienters, optical properties, and radiation analysis groups. TD aliases were used for most tags to allow analysis to be performed with a variety of parameter values. "Domain-tags" were also attached to individual and groups of surfaces and solids to allow them to be used later within TD to populate objects like, for example, heaters and contactors. These tools allow the user to make changes to the geometry in SpaceClaim and then easily synchronize the mesh in TD without having to redefine the objects each time as one would if using TDMesher. The use of SpaceClaim/TD Direct helps simplify the process for importing existing geometries and in the creation of high fidelity FE meshes to represent complex parts. It also saves time and effort in the subsequent analysis.

Using SpaceClaim/TD Direct for Modeling Components with Complex Geometries for the Thermal Desktop-Based Advanced Stirling Radioisotope Generator Model

NASA Technical Reports Server (NTRS)

Fabanich, William

2014-01-01

SpaceClaim/TD Direct has been used extensively in the development of the Advanced Stirling Radioisotope Generator (ASRG) thermal model. This paper outlines the workflow for that aspect of the task and includes proposed best practices and lessons learned. The ASRG thermal model was developed to predict component temperatures and power output and to provide insight into the prime contractors thermal modeling efforts. The insulation blocks, heat collectors, and cold side adapter flanges (CSAFs) were modeled with this approach. The model was constructed using mostly TD finite difference (FD) surfaces solids. However, some complex geometry could not be reproduced with TD primitives while maintaining the desired degree of geometric fidelity. Using SpaceClaim permitted the import of original CAD files and enabled the defeaturing repair of those geometries. TD Direct (a SpaceClaim add-on from CRTech) adds features that allowed the mark-up of that geometry. These so-called mark-ups control how finite element (FE) meshes were generated and allowed the tagging of features (e.g. edges, solids, surfaces). These tags represent parameters that include: submodels, material properties, material orienters, optical properties, and radiation analysis groups. TD aliases were used for most tags to allow analysis to be performed with a variety of parameter values. Domain-tags were also attached to individual and groups of surfaces and solids to allow them to be used later within TD to populate objects like, for example, heaters and contactors. These tools allow the user to make changes to the geometry in SpaceClaim and then easily synchronize the mesh in TD without having to redefine these objects each time as one would if using TD Mesher.The use of SpaceClaim/TD Direct has helped simplify the process for importing existing geometries and in the creation of high fidelity FE meshes to represent complex parts. It has also saved time and effort in the subsequent analysis.

Synthesis, structural and biochemical activity studies of a new hexadentate Schiff base ligand and its Cu(II), Ni(II), and Co(II) complexes

NASA Astrophysics Data System (ADS)

Ekmekcioglu, Pinar; Karabocek, Nevin; Karabocek, Serdar; Emirik, Mustafa

2015-11-01

A new Schiff base ligand (H2L) and its metal complexes have been prepared and characterized by elemental analysis, magnetic moment and spectral studies. The comparative in-vitro antimicrobial activities against various pathogens with reference to known antibiotics activity under the standard control of different concentrations revealed that the metal complexes (6-8) showed enhanced antimicrobial activities in general as compared to free ligand. As an exception, the free ligand showed better activity against Trichoderma. The antifungal activity experiments were performed in triplicate. The order of biochemical activity for metal complexes were observed as in the following. CuL > CoL > NiL, which is exactly same as the order of stability constants of these complexes. Additionally, we performed DFT and TD-DFT calculation for free ligand and Cu(II) complex to support the experimental data. The geometries of the Cu(II) complex have been optimized using the B3LYP level of theory. The theoretical calculations confirm that the copper (II) center exhibits a distorted square pyramidal geometry which is favored by experimental results.

Toxicity, Spectroscopic Characterization and Electrochemical Behaviour of New Macrocclic Complexes of Lead(II) and Palladium(II) Metals

PubMed Central

Bansal, Anil; Singh, Randhir

2000-01-01

Tetraazamacrocyclie complexes of lead and palladium have been synthesized by the template process using the bis(benzil)ethylenediamine precursor. The tetradentate macrocycle (maL) reacts with PbCl2, PdCl2 and different diamines in a 1:1:1 molar ratio in methanol to give several solid complexes of the types [Pb(maL)(R)Cl2] and [Pd(maL)(R)]Cl2 (where R = 2,6-diaminopyridine or 1,2-phenylenediamine). The macrocycle and its metal complexes have been characterized by elemental analysis, molecular weight determinations, molar conductivity, IR, 1H NMR, 13C NMR, electronic, mass and electrochemical studies. The macrocyclic ligand coordinates through the four azomethine nitrogen atoms which are bridged by benzil moieties. IR spectra suggest that the pyridine nitrogen is not coordinating. The palladium complexes exhibit tetracoordinated square-planar geometry, whereas a hexacoordinated octahedral geometry is suggested for lead complexes. The macrocycle along with its complexes have been screened in vitro against a number of pathogenic fungi and bacteria to assess their growth inhibiting potential. PMID:18475947

Synthesis and Spectral Characterization of Antifungal Sensitive Schiff Base Transition Metal Complexes

PubMed Central

Sakthivel, A.; Rajasekaran, K.

2007-01-01

New N2O2 donor type Schiff base has been designed and synthesized by condensing acetoacetanilido-4-aminoantipyrine with 2-aminobenzoic acid in ethanol. Solid metal complexes of the Schiff base with Cu(II), Ni(II), Co(II), Mn(II), Zn(II), VO(IV), Hg(II) and Cd(II) metal ions were synthesized and characterized by elemental analyses, magnetic susceptibility, molar conduction, fast atom bombardment (FAB) mass, IR, UV-Vis, and 1H NMR spectral studies. The data show that the complexes have the composition of ML type. The UV-Vis. and magnetic susceptibility data of the complexes suggest a square-planar geometry around the central metal ion except VO(IV) complex which has square-pyramidal geometry. The in vitro antifungal activities of the compounds were tested against fungi such as Aspergillus niger, Aspergillus flavus, Rhizopus stolonifer, Candida albicans, Rhizoctonia bataicola and Trichoderma harizanum. All the metal complexes showed stronger antifungal activities than the free ligand. The minimum inhibitory concentrations (MIC) of the metal complexes were found in the range of 10~31 µg/ml. PMID:24015086

Modeling of weld bead geometry for rapid manufacturing by robotic GMAW

NASA Astrophysics Data System (ADS)

Yang, Tao; Xiong, Jun; Chen, Hui; Chen, Yong

2015-03-01

Weld-based rapid prototyping (RP) has shown great promises for fabricating 3D complex parts. During the layered deposition of forming metallic parts with robotic gas metal arc welding, the geometry of a single weld bead has an important influence on surface finish quality, layer thickness and dimensional accuracy of the deposited layer. In order to obtain accurate, predictable and controllable bead geometry, it is essential to understand the relationships between the process variables with the bead geometry (bead width, bead height and ratio of bead width to bead height). This paper highlights an experimental study carried out to develop mathematical models to predict deposited bead geometry through the quadratic general rotary unitized design. The adequacy and significance of the models were verified via the analysis of variance. Complicated cause-effect relationships between the process parameters and the bead geometry were revealed. Results show that the developed models can be applied to predict the desired bead geometry with great accuracy in layered deposition with accordance to the slicing process of RP.

A fictitious domain finite element method for simulations of fluid-structure interactions: The Navier-Stokes equations coupled with a moving solid

NASA Astrophysics Data System (ADS)

Court, Sébastien; Fournié, Michel

2015-05-01

The paper extends a stabilized fictitious domain finite element method initially developed for the Stokes problem to the incompressible Navier-Stokes equations coupled with a moving solid. This method presents the advantage to predict an optimal approximation of the normal stress tensor at the interface. The dynamics of the solid is governed by the Newton's laws and the interface between the fluid and the structure is materialized by a level-set which cuts the elements of the mesh. An algorithm is proposed in order to treat the time evolution of the geometry and numerical results are presented on a classical benchmark of the motion of a disk falling in a channel.

Space shuttle: Longitudinal aerodynamic characteristics of low aspect ratio wing configurations in ground effect for a moving and stationary ground surface

NASA Technical Reports Server (NTRS)

Romere, P. O.; Chambliss, E. B.

1972-01-01

A 0.05-scale model of the NASA-MSC Orbiter 040A Configuration was tested. Test duration was approximately 80 hours during which the model was tested in and out of ground effect with a stationary and moving ground belt. Model height from ground plane surface was varied from one and one-half wing span to landing touchdown while angle of attack varied from -4 to 20 degrees. Eleven effectiveness and alternate configuration geometries were tested to insure complete analysis of low aspect ratio wing aircraft in the presence of ground effect. Test Mach number was approximately 0.067 with a corresponding dynamic pressure value of 6.5 psf.

Motion of an Articulated Vehicle with Two-Dimensional Sections Subject to Lateral Obstacles

NASA Astrophysics Data System (ADS)

Antonyuk, E. Ya.; Zabuga, A. T.

2016-07-01

Some aspects of the geometry, kinematics, and dynamics of a three-section robotic vehicle with a front steerable wheel are studied. The constraints between the wheels and the flat ground are assumed nonholonomic. The vehicle moves in a narrow L-shaped corridor. A path for the characteristic points of the sections of the robot is designed. A dynamic model of the system is developed. The maximum possible dimensions of the robot that allow its unimpeded and non-stop motion are determined. The kinetostatic analysis of the load on a three-section vehicle moving along a planned path is modeled. The holonomic and nonholonomic constraint reactions between the wheels and the ground and in the joints between the sections are determined

The load separation technique in the elastic-plastic fracture analysis of two- and three-dimensional geometries

NASA Technical Reports Server (NTRS)

Sharobeam, Monir H.

1994-01-01

Load separation is the representation of the load in the test records of geometries containing cracks as a multiplication of two separate functions: a crack geometry function and a material deformation function. Load separation is demonstrated in the test records of several two-dimensional geometries such as compact tension geometry, single edge notched bend geometry, and center cracked tension geometry and three-dimensional geometries such as semi-elliptical surface crack. The role of load separation in the evaluation of the fracture parameter J-integral and the associated factor eta for two-dimensional geometries is discussed. The paper also discusses the theoretical basis and the procedure for using load separation as a simplified yet accurate approach for plastic J evaluation in semi-elliptical surface crack which is a three-dimensional geometry. The experimental evaluation of J, and particularly J(sub pl), for three-dimensional geometries is very challenging. A few approaches have been developed in this regard and they are either complex or very approximate. The paper also presents the load separation as a mean to identify the blunting and crack growth regions in the experimental test records of precracked specimens. Finally, load separation as a methodology in elastic-plastic fracture mechanics is presented.

A VERSATILE SHARP INTERFACE IMMERSED BOUNDARY METHOD FOR INCOMPRESSIBLE FLOWS WITH COMPLEX BOUNDARIES

PubMed Central

Mittal, R.; Dong, H.; Bozkurttas, M.; Najjar, F.M.; Vargas, A.; von Loebbecke, A.

2010-01-01

A sharp interface immersed boundary method for simulating incompressible viscous flow past three-dimensional immersed bodies is described. The method employs a multi-dimensional ghost-cell methodology to satisfy the boundary conditions on the immersed boundary and the method is designed to handle highly complex three-dimensional, stationary, moving and/or deforming bodies. The complex immersed surfaces are represented by grids consisting of unstructured triangular elements; while the flow is computed on non-uniform Cartesian grids. The paper describes the salient features of the methodology with special emphasis on the immersed boundary treatment for stationary and moving boundaries. Simulations of a number of canonical two- and three-dimensional flows are used to verify the accuracy and fidelity of the solver over a range of Reynolds numbers. Flow past suddenly accelerated bodies are used to validate the solver for moving boundary problems. Finally two cases inspired from biology with highly complex three-dimensional bodies are simulated in order to demonstrate the versatility of the method. PMID:20216919

Spectroscopic, cyclic voltammetric and biological studies of transition metal complexes with mixed nitrogen-sulphur (NS) donor macrocyclic ligand derived from thiosemicarbazide

NASA Astrophysics Data System (ADS)

Chandra, Sulekh; Gupta, Lokesh Kumar; Sangeetika

2005-11-01

The complexation of new mixed thia-aza-oxa macrocycle viz., 2,12-dithio-5,9,14,18-tetraoxo-7,16-dithia-1,3,4,10,11,13-hexaazacyclooctadecane containing thiosemicarba-zone unit with a series of transition metals Co(II), Ni(II) and Cu(II) has been investigated, by different spectroscopic techniques. The structural features of the ligand have been studied by EI-mass, 1H NMR and IR spectral techniques. Elemental analyses, magnetic moment susceptibility, molar conductance, IR, electronic, and EPR spectral studies characterized the complexes. Electronic absorption and IR spectra of the complexes indicate octahedral geometry for chloro, nitrato, thiocyanato or acetato complexes. The dimeric and neutral nature of the sulphato complexes are confirmed from magnetic susceptibility and low conductance values. Electronic spectra suggests square-planar geometry for all sulphato complexes. The redox behaviour was studied by cyclic voltammetry, show metal-centered reduction processes for all complexes. The complexes of copper show both oxidation and reduction process. The redox potentials depend on the conformation of central atom in the macrocyclic complexes. Newly synthesized macrocyclic ligand and its transition metal complexes show markedly growth inhibitory activity against pathogenic bacterias and plant pathogenic fungi under study. Most of the complexes have higher activity than that of the metal free ligand.

Plane Transformations in a Complex Setting I: Homotheties-Translations

ERIC Educational Resources Information Center

Dana-Picard, T.

2006-01-01

A previous note described how complex numbers can be used for elementary analytic geometry in the plane, describing lines, circles and their intersections using complex Cartesian equations. In the present note, a description of elementary plane transformations, namely homotheties and translations, their group structure and their operations on…

Rational Ligand Design for U(VI) and Pu(IV)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szigethy, Geza

2009-08-12

Nuclear power is an attractive alternative to hydrocarbon-based energy production at a time when moving away from carbon-producing processes is widely accepted as a significant developmental need. Hence, the radioactive actinide power sources for this industry are necessarily becoming more widespread, which is accompanied by the increased risk of exposure to both biological and environmental systems. This, in turn, requires the development of technology designed to remove such radioactive threats efficiently and selectively from contaminated material, whether that be contained nuclear waste streams or the human body. Raymond and coworkers (University of California, Berkeley) have for decades investigated the interactionmore » of biologically-inspired, hard Lewis-base ligands with high-valent, early-actinide cations. It has been established that such ligands bind strongly to the hard Lewis-acidic early actinides, and many poly-bidentate ligands have been developed and shown to be effective chelators of actinide contaminants in vivo. Work reported herein explores the effect of ligand geometry on the linear U(IV) dioxo dication (uranyl, UO 2 2+). The goal is to utilize rational ligand design to develop ligands that exhibit shape selectivity towards linear dioxo cations and provides thermodynamically favorable binding interactions. The uranyl complexes with a series of tetradentate 3-hydroxy-pyridin-2-one (3,2-HOPO) ligands were studied in both the crystalline state as well as in solution. Despite significant geometric differences, the uranyl affinities of these ligands vary only slightly but are better than DTPA, the only FDA-approved chelation therapy for actinide contamination. The terepthalamide (TAM) moiety was combined into tris-beidentate ligands with 1,2- and 3,2-HOPO moieties were combined into hexadentate ligands whose structural preferences and solution thermodynamics were measured with the uranyl cation. In addition to achieving coordinative saturation, these ligands exhibited increased uranyl affinity compared to bis-Me-3,2-HOPO ligands. This result is due in part to their increased denticity, but is primarily the result of the presence of the TAM moiety. In an effort to explore the relatively unexplored coordination chemistry of Pu(IV) with bidentate moieties, a series of Pu(IV) complexes were also crystallized using bidentate hydroxypyridinone and hydroxypyrone ligands. The geometries of these complexes are compared to that of the analogous Ce(IV) complexes. While in some cases these showed the expected structural similarities, some ligand systems led to significant coordination changes. A series of crystal structure analyses with Ce(IV) indicated that these differences are most likely the result of crystallization condition differences and solvent inclusion effects.« less

Self-organized topology of recurrence-based complex networks

NASA Astrophysics Data System (ADS)

Yang, Hui; Liu, Gang

2013-12-01

With the rapid technological advancement, network is almost everywhere in our daily life. Network theory leads to a new way to investigate the dynamics of complex systems. As a result, many methods are proposed to construct a network from nonlinear time series, including the partition of state space, visibility graph, nearest neighbors, and recurrence approaches. However, most previous works focus on deriving the adjacency matrix to represent the complex network and extract new network-theoretic measures. Although the adjacency matrix provides connectivity information of nodes and edges, the network geometry can take variable forms. The research objective of this article is to develop a self-organizing approach to derive the steady geometric structure of a network from the adjacency matrix. We simulate the recurrence network as a physical system by treating the edges as springs and the nodes as electrically charged particles. Then, force-directed algorithms are developed to automatically organize the network geometry by minimizing the system energy. Further, a set of experiments were designed to investigate important factors (i.e., dynamical systems, network construction methods, force-model parameter, nonhomogeneous distribution) affecting this self-organizing process. Interestingly, experimental results show that the self-organized geometry recovers the attractor of a dynamical system that produced the adjacency matrix. This research addresses a question, i.e., "what is the self-organizing geometry of a recurrence network?" and provides a new way to reproduce the attractor or time series from the recurrence plot. As a result, novel network-theoretic measures (e.g., average path length and proximity ratio) can be achieved based on actual node-to-node distances in the self-organized network topology. The paper brings the physical models into the recurrence analysis and discloses the spatial geometry of recurrence networks.

Self-organized topology of recurrence-based complex networks.

PubMed

Yang, Hui; Liu, Gang

2013-12-01

With the rapid technological advancement, network is almost everywhere in our daily life. Network theory leads to a new way to investigate the dynamics of complex systems. As a result, many methods are proposed to construct a network from nonlinear time series, including the partition of state space, visibility graph, nearest neighbors, and recurrence approaches. However, most previous works focus on deriving the adjacency matrix to represent the complex network and extract new network-theoretic measures. Although the adjacency matrix provides connectivity information of nodes and edges, the network geometry can take variable forms. The research objective of this article is to develop a self-organizing approach to derive the steady geometric structure of a network from the adjacency matrix. We simulate the recurrence network as a physical system by treating the edges as springs and the nodes as electrically charged particles. Then, force-directed algorithms are developed to automatically organize the network geometry by minimizing the system energy. Further, a set of experiments were designed to investigate important factors (i.e., dynamical systems, network construction methods, force-model parameter, nonhomogeneous distribution) affecting this self-organizing process. Interestingly, experimental results show that the self-organized geometry recovers the attractor of a dynamical system that produced the adjacency matrix. This research addresses a question, i.e., "what is the self-organizing geometry of a recurrence network?" and provides a new way to reproduce the attractor or time series from the recurrence plot. As a result, novel network-theoretic measures (e.g., average path length and proximity ratio) can be achieved based on actual node-to-node distances in the self-organized network topology. The paper brings the physical models into the recurrence analysis and discloses the spatial geometry of recurrence networks.

Self-organized topology of recurrence-based complex networks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Hui, E-mail: huiyang@usf.edu; Liu, Gang

With the rapid technological advancement, network is almost everywhere in our daily life. Network theory leads to a new way to investigate the dynamics of complex systems. As a result, many methods are proposed to construct a network from nonlinear time series, including the partition of state space, visibility graph, nearest neighbors, and recurrence approaches. However, most previous works focus on deriving the adjacency matrix to represent the complex network and extract new network-theoretic measures. Although the adjacency matrix provides connectivity information of nodes and edges, the network geometry can take variable forms. The research objective of this article ismore » to develop a self-organizing approach to derive the steady geometric structure of a network from the adjacency matrix. We simulate the recurrence network as a physical system by treating the edges as springs and the nodes as electrically charged particles. Then, force-directed algorithms are developed to automatically organize the network geometry by minimizing the system energy. Further, a set of experiments were designed to investigate important factors (i.e., dynamical systems, network construction methods, force-model parameter, nonhomogeneous distribution) affecting this self-organizing process. Interestingly, experimental results show that the self-organized geometry recovers the attractor of a dynamical system that produced the adjacency matrix. This research addresses a question, i.e., “what is the self-organizing geometry of a recurrence network?” and provides a new way to reproduce the attractor or time series from the recurrence plot. As a result, novel network-theoretic measures (e.g., average path length and proximity ratio) can be achieved based on actual node-to-node distances in the self-organized network topology. The paper brings the physical models into the recurrence analysis and discloses the spatial geometry of recurrence networks.« less

Spatiotemporal model of Kīlauea's summit magmatic system inferred from InSAR time series and geometry-free time-dependent source inversion

NASA Astrophysics Data System (ADS)

Zhai, Guang; Shirzaei, Manoochehr

2016-07-01

Kīlauea volcano, Hawai`i Island, has a complex magmatic system including summit reservoirs and rift zones. Kinematic models of the summit reservoir have so far been limited to first-order analytical solutions with predetermined geometry. To explore the complex geometry and kinematics of the summit reservoir, we apply a multitrack wavelet-based InSAR (interferometric synthetic aperture radar) algorithm and a novel geometry-free time-dependent modeling scheme. To map spatiotemporally distributed surface deformation signals over Kīlauea's summit, we process synthetic aperture radar data sets from two overlapping tracks of the Envisat satellite, including 100 images during the period 2003-2010. Following validation against Global Positioning System data, we invert the surface deformation time series to constrain the spatiotemporal evolution of the magmatic system without any prior knowledge of the source geometry. The optimum model is characterized by a spheroidal and a tube-like zone of volume change beneath the summit and the southwest rift zone at 2-3 km depth, respectively. To reduce the model dimension, we apply a principal component analysis scheme, which allows for the identification of independent reservoirs. The first three PCs, explaining 99% (63.8%, 28.5%, and 6.6%, respectively) of the model, include six independent reservoirs with a complex interaction suggested by temporal analysis. The data and model presented here, in agreement with earlier studies, improve the understanding of Kīlauea's plumbing system through enhancing the knowledge of temporally variable magma supply, storage, and transport beneath the summit, and verify the link between summit magmatic activity, seismicity, and rift intrusions.

Geostatistical three-dimensional modeling of oolite shoals, St. Louis Limestone, southwest Kansas

USGS Publications Warehouse

Qi, L.; Carr, T.R.; Goldstein, R.H.

2007-01-01

In the Hugoton embayment of southwestern Kansas, reservoirs composed of relatively thin (<4 m; <13.1 ft) oolitic deposits within the St. Louis Limestone have produced more than 300 million bbl of oil. The geometry and distribution of oolitic deposits control the heterogeneity of the reservoirs, resulting in exploration challenges and relatively low recovery. Geostatistical three-dimensional (3-D) models were constructed to quantify the geometry and spatial distribution of oolitic reservoirs, and the continuity of flow units within Big Bow and Sand Arroyo Creek fields. Lithofacies in uncored wells were predicted from digital logs using a neural network. The tilting effect from the Laramide orogeny was removed to construct restored structural surfaces at the time of deposition. Well data and structural maps were integrated to build 3-D models of oolitic reservoirs using stochastic simulations with geometry data. Three-dimensional models provide insights into the distribution, the external and internal geometry of oolitic deposits, and the sedimentologic processes that generated reservoir intervals. The structural highs and general structural trend had a significant impact on the distribution and orientation of the oolitic complexes. The depositional pattern and connectivity analysis suggest an overall aggradation of shallow-marine deposits during pulses of relative sea level rise followed by deepening near the top of the St. Louis Limestone. Cemented oolitic deposits were modeled as barriers and baffles and tend to concentrate at the edge of oolitic complexes. Spatial distribution of porous oolitic deposits controls the internal geometry of rock properties. Integrated geostatistical modeling methods can be applicable to other complex carbonate or siliciclastic reservoirs in shallow-marine settings. Copyright ?? 2007. The American Association of Petroleum Geologists. All rights reserved.

Integrated geometry and grid generation system for complex configurations

NASA Technical Reports Server (NTRS)

Akdag, Vedat; Wulf, Armin

1992-01-01

A grid generation system was developed that enables grid generation for complex configurations. The system called ICEM/CFD is described and its role in computational fluid dynamics (CFD) applications is presented. The capabilities of the system include full computer aided design (CAD), grid generation on the actual CAD geometry definition using robust surface projection algorithms, interfacing easily with known CAD packages through common file formats for geometry transfer, grid quality evaluation of the volume grid, coupling boundary condition set-up for block faces with grid topology generation, multi-block grid generation with or without point continuity and block to block interface requirement, and generating grid files directly compatible with known flow solvers. The interactive and integrated approach to the problem of computational grid generation not only substantially reduces manpower time but also increases the flexibility of later grid modifications and enhancements which is required in an environment where CFD is integrated into a product design cycle.

Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.

PubMed

Xia, Shuangluo; Konigsberg, William H

2014-04-01

Recent structures of DNA polymerase complexes with dGMPCPP/dT and dCTP/dA mispairs at the insertion site have shown that they adopt Watson-Crick geometry in the presence of Mn(2+) indicating that the tautomeric or ionization state of the base has changed. To see whether the tautomeric or ionization state of base-pair could be affected by its microenvironment, we determined 10 structures of an RB69 DNA polymerase quadruple mutant with dG/dT or dT/dG mispairs at position n-1 to n-5 of the Primer/Template duplex. Different shapes of the mispairs, including Watson-Crick geometry, have been observed, strongly suggesting that the local environment of base-pairs plays an important role in their tautomeric or ionization states. © 2014 The Protein Society.

The non-linear response of a muscle in transverse compression: assessment of geometry influence using a finite element model.

PubMed

Gras, Laure-Lise; Mitton, David; Crevier-Denoix, Nathalie; Laporte, Sébastien

2012-01-01

Most recent finite element models that represent muscles are generic or subject-specific models that use complex, constitutive laws. Identification of the parameters of such complex, constitutive laws could be an important limit for subject-specific approaches. The aim of this study was to assess the possibility of modelling muscle behaviour in compression with a parametric model and a simple, constitutive law. A quasi-static compression test was performed on the muscles of dogs. A parametric finite element model was designed using a linear, elastic, constitutive law. A multi-variate analysis was performed to assess the effects of geometry on muscle response. An inverse method was used to define Young's modulus. The non-linear response of the muscles was obtained using a subject-specific geometry and a linear elastic law. Thus, a simple muscle model can be used to have a bio-faithful, biomechanical response.

The dependence of acoustic properties of a crack on the resonance mode and geometry

USGS Publications Warehouse

Kumagai, H.; Chouet, B.A.

2001-01-01

We examine the dependence of the acoustic properties of a crack containing magmatic or hydrothermal fluids on the resonance mode and geometry to quantify the source properties of long-period (LP) events observed in volcanic areas. Our results, based on spectral analyses of synthetic waveforms generated with a fluid-driven crack model, indicate that the basic features of the dimensionless frequency (??) and quality factor (Qr) for a crack containing various types of fluids are not strongly affected by the choice of mode, although the actual ranges of Q?? and ?? both depend on the mode. The dimensionless complex frequency systematically varies with changes in the crack geometry, showing increases in both Qr and ?? as the crack length to aperture ratio decreases. The present results may be useful for the interpretation of spatial and temporal variations in the observed complex frequencies of LP events.

Coordination Polymer: Synthesis, Spectral Characterization and Thermal Behaviour of Starch-Urea Based Biodegradable Polymer and Its Polymer Metal Complexes

PubMed Central

Malik, Ashraf; Parveen, Shadma; Ahamad, Tansir; Alshehri, Saad M.; Singh, Prabal Kumar; Nishat, Nahid

2010-01-01

A starch-urea-based biodegradable coordination polymer modified by transition metal Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) was prepared by polycondensation of starch and urea. All the synthesized polymeric compounds were characterized by Fourier transform-infrared spectroscopy (FT-IR), 1H-NMR spectroscopy, 13C-NMR spectroscopy, UV-visible spectra, magnetic moment measurements, differential scanning calorimeter (DSC), and thermogravimetric analysis (TGA). The results of electronic spectra and magnetic moment measurements indicate that Mn(II), Co(II), and Ni(II) complexes show octahedral geometry, while Cu(II) and Zn(II) complexes show square planar and tetrahedral geometry, respectively. The thermogravimetric analysis revealed that all the polymeric metal complexes are more thermally stable than the parental ligand. In addition, biodegradable studies of all the polymeric compounds were also carried out through ASTM standards of biodegradable polymers by CO2 evolution method. PMID:20414461

Jahn-Teller distortion in the phosphorescent excited state of three-coordinate Au(I) phosphine complexes.

PubMed

Barakat, Khaldoon A; Cundari, Thomas R; Omary, Mohammad A

2003-11-26

DFT calculations were used to optimize the phosphorescent excited state of three-coordinate [Au(PR3)3]+ complexes. The results indicate that the complexes rearrange from their singlet ground-state trigonal planar geometry to a T-shape in the lowest triplet luminescent excited state. The optimized structure of the exciton contradicts the structure predicted based on the AuP bonding properties of the ground-state HOMO and LUMO. The rearrangement to T-shape is a Jahn-Teller distortion because an electron is taken from the degenerate e' (5dxy, 5dx2-y2) orbital upon photoexcitation of the ground-state D3h complex. The calculated UV absorption and visible emission energies are consistent with the experimental data and explain the large Stokes' shifts while such correlations are not possible in optimized models that constrained the exciton to the ground-state trigonal geometry.

Coordinate Families for the Schwarzschild Geometry Based on Radial Timelike Geodesics

NASA Technical Reports Server (NTRS)

Finch, Tehani K.

2015-01-01

We explore the connections between various coordinate systems associated with observers moving inwardly along radial geodesics in the Schwarzschild geometry. Painleve-Gullstrand (PG) time is adapted to freely falling observers dropped from rest from in nity; Lake-Martel-Poisson (LMP) time coordinates are adapted to observers who start at in nity with non-zero initial inward velocity; Gautreau-Ho mann (GH) time coordinates are adapted to observers dropped from rest from a nite distance from the black hole horizon. We construct from these an LMP family and a propertime family of time coordinates, the intersection of which is PG time. We demonstrate that these coordinate families are distinct, but related, one-parameter generalizations of PG time, and show linkage to Lema^tre coordinates as well.

Dirac-Born-Infeld inflation using a one-parameter family of throat geometries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gmeiner, Florian; White, Chris D, E-mail: fgmeiner@nikhef.nl, E-mail: cwhite@nikhef.nl

2008-02-15

We demonstrate the possibility of examining cosmological signatures in the Dirac-Born-Infeld (DBI) inflation setup using the BGMPZ solution, a one-parameter family of geometries for the warped throat which interpolate between the Maldacena-Nunez and Klebanov-Strassler solutions. The warp factor is determined numerically and is subsequently used to calculate cosmological observables, including the scalar and tensor spectral indices, for a sample point in the parameter space. As one moves away from the Klebanov-Strassler (KS) solution for the throat, the warp factor is qualitatively different, which leads to a significant change for the observables, but also generically increases the non-Gaussianity of the models.more » We argue that the different models can potentially be differentiated by current and future experiments.« less

Null geodesics and red-blue shifts of photons emitted from geodesic particles around a noncommutative black hole space-time

NASA Astrophysics Data System (ADS)

Kuniyal, Ravi Shankar; Uniyal, Rashmi; Biswas, Anindya; Nandan, Hemwati; Purohit, K. D.

2018-06-01

We investigate the geodesic motion of massless test particles in the background of a noncommutative geometry-inspired Schwarzschild black hole. The behavior of effective potential is analyzed in the equatorial plane and the possible motions of massless particles (i.e. photons) for different values of impact parameter are discussed accordingly. We have also calculated the frequency shift of photons in this space-time. Further, the mass parameter of a noncommutative inspired Schwarzschild black hole is computed in terms of the measurable redshift of photons emitted by massive particles moving along circular geodesics in equatorial plane. The strength of gravitational fields of noncommutative geometry-inspired Schwarzschild black hole and usual Schwarzschild black hole in General Relativity is also compared.

Conceptualizing Vectors in College Geometry: A New Framework for Analysis of Student Approaches and Difficulties

ERIC Educational Resources Information Center

Kwon, Oh Hoon

2012-01-01

This dissertation documents a new way of conceptualizing vectors in college mathematics, especially in geometry. First, I will introduce three problems to show the complexity and subtlety of the construct of vectors with the classical vector representations. These highlight the need for a new framework that: (1) differentiates abstraction from a…

A mixed valence zinc dithiolene system with spectator metal and reactor ligands.

PubMed

Ratvasky, Stephen C; Mogesa, Benjamin; van Stipdonk, Michael J; Basu, Partha

2016-08-16

Neutral complexes of zinc with N,N'-diisopropylpiperazine-2,3-dithione ( i Pr 2 Dt 0 ) and N,N'-dimethylpiperazine-2,3-dithione (Me 2 Dt 0 ) with chloride or maleonitriledithiolate (mnt 2- ) as coligands have been synthesized and characterized. The molecular structures of these zinc complexes have been determined using single crystal X-ray diffractometry. Complexes recrystallize in monoclinic P type systems with zinc adopting a distorted tetrahedral geometry. Two zinc complexes with mixed-valent dithiolene ligands exhibit ligand-to-ligand charge transfer bands. Optimized geometries, molecular vibrations and electronic structures of charge-transfer complexes were calculated using density functional theory (B3LYP/6-311G+(d,p) level). Redox orbitals are shown to be almost exclusively ligand in nature, with a HOMO based heavily on the electron-rich maleonitriledithiolate ligand, and a LUMO comprised mostly of the electron-deficient dithione ligand. Charge transfer is thus believed to proceed from dithiolate HOMO to dithione LUMO, showing ligand-to-ligand redox interplay across a d 10 metal.

Electron paramagnetic resonance and density-functional theory studies of Cu(II)-bis(oxamato) complexes.

PubMed

Bräuer, Björn; Weigend, Florian; Fittipaldi, Maria; Gatteschi, Dante; Reijerse, Edward J; Guerri, Annalisa; Ciattini, Samuele; Salvan, Georgeta; Rüffer, Tobias

2008-08-04

In this work we present the investigation of the influence of electronic and structural variations induced by varying the N,N'-bridge on the magnetic properties of Cu(II)- bis(oxamato) complexes. For this study the complexes [Cu(opba)] (2-) ( 1, opba = o-phenylene- bis(oxamato)), [Cu(nabo)] (2-) ( 2, nabo = 2,3-naphthalene- bis(oxamato)), [Cu(acbo)] (2-) ( 3, acbo = 2,3-anthrachinone- bis(oxamato)), [Cu(pba)] (2-) ( 4, pba = propylene- bis(oxamato)), [Cu(obbo)] (2-) ( 5, obbo = o-benzyl- bis(oxamato)), and [Cu(npbo)] (2-) ( 6, npbo = 1,8-naphthalene- bis(oxamato)), and the respective structurally isomorphic Ni(II) complexes ( 8- 13) have been prepared as ( (n)Bu 4N) (+) salts. The new complex ( (n)Bu 4N) 2[Cu(R-bnbo)].2H 2O ( 7, R-bnbo = (R)-1,1'-binaphthalene-2,2'- bis(oxamato)) was synthesized and is the first chiral complex in the series of Cu(II)-bis(oxamato) complexes. The molecular structure of 7 has been determined by single crystal X-ray analysis. The Cu(II) ions of the complexes 1- 7 are eta (4)(kappa (2) N, kappa (2) O) coordinated with a more or less distorted square planar geometry for 1- 6 and a distorted tetrahedral geometry for 7. Using pulsed Electron Nuclear Double Resonance on complex 6, detailed information about the relative orientation of the hyperfine ( A) and nuclear quadrupole tensors ( Q) of the coordinating nitrogens with respect to the g tensor were obtained. Electron Paramagnetic Resonance studies in the X, Q, and W-band at variable temperatures were carried out to extract g and A values of N ligands and Cu ion for 1- 7. The hyperfine values were interpreted in terms of spin population on the corresponding atoms. The obtained trends of the spin population for the monomeric building blocks were shown to correlate to the trends obtained in the dependence of the exchange interaction of the corresponding trinuclear complexes on their geometry.

A method for photon beam Monte Carlo multileaf collimator particle transport

NASA Astrophysics Data System (ADS)

Siebers, Jeffrey V.; Keall, Paul J.; Kim, Jong Oh; Mohan, Radhe

2002-09-01

Monte Carlo (MC) algorithms are recognized as the most accurate methodology for patient dose assessment. For intensity-modulated radiation therapy (IMRT) delivered with dynamic multileaf collimators (DMLCs), accurate dose calculation, even with MC, is challenging. Accurate IMRT MC dose calculations require inclusion of the moving MLC in the MC simulation. Due to its complex geometry, full transport through the MLC can be time consuming. The aim of this work was to develop an MLC model for photon beam MC IMRT dose computations. The basis of the MC MLC model is that the complex MLC geometry can be separated into simple geometric regions, each of which readily lends itself to simplified radiation transport. For photons, only attenuation and first Compton scatter interactions are considered. The amount of attenuation material an individual particle encounters while traversing the entire MLC is determined by adding the individual amounts from each of the simplified geometric regions. Compton scatter is sampled based upon the total thickness traversed. Pair production and electron interactions (scattering and bremsstrahlung) within the MLC are ignored. The MLC model was tested for 6 MV and 18 MV photon beams by comparing it with measurements and MC simulations that incorporate the full physics and geometry for fields blocked by the MLC and with measurements for fields with the maximum possible tongue-and-groove and tongue-or-groove effects, for static test cases and for sliding windows of various widths. The MLC model predicts the field size dependence of the MLC leakage radiation within 0.1% of the open-field dose. The entrance dose and beam hardening behind a closed MLC are predicted within +/-1% or 1 mm. Dose undulations due to differences in inter- and intra-leaf leakage are also correctly predicted. The MC MLC model predicts leaf-edge tongue-and-groove dose effect within +/-1% or 1 mm for 95% of the points compared at 6 MV and 88% of the points compared at 18 MV. The dose through a static leaf tip is also predicted generally within +/-1% or 1 mm. Tests with sliding windows of various widths confirm the accuracy of the MLC model for dynamic delivery and indicate that accounting for a slight leaf position error (0.008 cm for our MLC) will improve the accuracy of the model. The MLC model developed is applicable to both dynamic MLC and segmental MLC IMRT beam delivery and will be useful for patient IMRT dose calculations, pre-treatment verification of IMRT delivery and IMRT portal dose transmission dosimetry.

Numerical investigation of wake-collapse internal waves generated by a submerged moving body

NASA Astrophysics Data System (ADS)

Liang, Jianjun; Du, Tao; Huang, Weigen; He, Mingxia

2017-07-01

The state-of-the-art OpenFOAM technology is used to develop a numerical model that can be devoted to numerically investigating wake-collapse internal waves generated by a submerged moving body. The model incorporates body geometry, propeller forcing, and stratification magnitude of seawater. The generation mechanism and wave properties are discussed based on model results. It was found that the generation of the wave and its properties depend greatly on the body speed. Only when that speed exceeds some critical value, between 1.5 and 4.5 m/s, can the moving body generate wake-collapse internal waves, and with increases of this speed, the time of generation advances and wave amplitude increases. The generated wake-collapse internal waves are confirmed to have characteristics of the second baroclinic mode. As the body speed increases, wave amplitude and length increase and its waveform tends to take on a regular sinusoidal shape. For three linearly temperature-stratified profiles examined, the weaker the stratification, the stronger the wake-collapse internal wave.

Photoacoustic trace detection of gases at the parts-per-quadrillion level with a moving optical grating.

PubMed

Xiong, Lian; Bai, Wenyu; Chen, Feifei; Zhao, Xian; Yu, Fapeng; Diebold, Gerald J

2017-07-11

The amplitude of the photoacoustic effect for an optical source moving at the sound speed in a one-dimensional geometry increases linearly in time without bound in the linear acoustic regime. Here, use of this principle is described for trace detection of gases, using two frequency-shifted beams from a CO 2 laser directed at an angle to each other to give optical fringes that move at the sound speed in a cavity with a longitudinal resonance. The photoacoustic signal is detected with a high-[Formula: see text], piezoelectric crystal with a resonance on the order of [Formula: see text] kHz. The photoacoustic cell has a design analogous to a hemispherical laser resonator and can be adjusted to have a longitudinal resonance to match that of the detector crystal. The grating frequency, the length of the resonator, and the crystal must all have matched frequencies; thus, three resonances are used to advantage to produce sensitivity that extends to the parts-per-quadrillion level.

Managing geometric information with a data base management system

NASA Technical Reports Server (NTRS)

Dube, R. P.

1984-01-01

The strategies for managing computer based geometry are described. The computer model of geometry is the basis for communication, manipulation, and analysis of shape information. The research on integrated programs for aerospace-vehicle design (IPAD) focuses on the use of data base management system (DBMS) technology to manage engineering/manufacturing data. The objectives of IPAD is to develop a computer based engineering complex which automates the storage, management, protection, and retrieval of engineering data. In particular, this facility must manage geometry information as well as associated data. The approach taken on the IPAD project to achieve this objective is discussed. Geometry management in current systems and the approach taken in the early IPAD prototypes are examined.

Python-based geometry preparation and simulation visualization toolkits for STEPS

PubMed Central

Chen, Weiliang; De Schutter, Erik

2014-01-01

STEPS is a stochastic reaction-diffusion simulation engine that implements a spatial extension of Gillespie's Stochastic Simulation Algorithm (SSA) in complex tetrahedral geometries. An extensive Python-based interface is provided to STEPS so that it can interact with the large number of scientific packages in Python. However, a gap existed between the interfaces of these packages and the STEPS user interface, where supporting toolkits could reduce the amount of scripting required for research projects. This paper introduces two new supporting toolkits that support geometry preparation and visualization for STEPS simulations. PMID:24782754

Combined distribution functions: A powerful tool to identify cation coordination geometries in liquid systems

NASA Astrophysics Data System (ADS)

Sessa, Francesco; D'Angelo, Paola; Migliorati, Valentina

2018-01-01

In this work we have developed an analytical procedure to identify metal ion coordination geometries in liquid media based on the calculation of Combined Distribution Functions (CDFs) starting from Molecular Dynamics (MD) simulations. CDFs provide a fingerprint which can be easily and unambiguously assigned to a reference polyhedron. The CDF analysis has been tested on five systems and has proven to reliably identify the correct geometries of several ion coordination complexes. This tool is simple and general and can be efficiently applied to different MD simulations of liquid systems.

Simulations of the heat exchange in thermoplastic injection molds manufactured by additive techniques

NASA Astrophysics Data System (ADS)

Daldoul, Wafa; Toulorge, Thomas; Vincent, Michel

2017-10-01

The cost and quality of complex parts manufactured by thermoplastic injection is traditionally limited by design constraints on the cooling system of the mold. A possible solution is to create the mold by additive manufacturing, which makes it possible to freely design the cooling channels. Such molds normally contain hollow parts (alveoli) in order to decrease their cost. However, the complex geometry of the cooling channels and the alveoli makes it difficult to predict the performance of the cooling system. This work aims to compute the heat exchanges between the polymer, the mold and the cooling channels with complex geometries. An Immersed Volume approach is taken, where the different parts of the domain (i.e. the polymer, the cooling channels, the alveoli and the mold) are represented by level-sets and the thermo-mechanical properties of the materials vary smoothly at the interface between the parts. The energy and momentum equations are solved by a stabilized Finite Element method. In order to accurately resolve the large variations of material properties and the steep temperature gradients at interfaces, state-of-the art anisotropic mesh refinement techniques are employed. The filling stage of the process is neglected. In a first step, only the heat equation is solved, so that the packing stage is also disregarded. In a second step, thermo-mechanical effects occurring in the polymer during the packing stage are taken into account, which results in the injection of an additional amount of polymer that significantly influences the temperature evolution. The method is validated on the simple geometry of a center-gated disk and compared with experimental measurements. The agreement is very good. Simulations are performed on an industrial case which illustrates the ability of the method to deal with complex geometries.

A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach.

PubMed

Estrada, T; Zhang, B; Cicotti, P; Armen, R S; Taufer, M

2012-07-01

We present a scalable and accurate method for classifying protein-ligand binding geometries in molecular docking. Our method is a three-step process: the first step encodes the geometry of a three-dimensional (3D) ligand conformation into a single 3D point in the space; the second step builds an octree by assigning an octant identifier to every single point in the space under consideration; and the third step performs an octree-based clustering on the reduced conformation space and identifies the most dense octant. We adapt our method for MapReduce and implement it in Hadoop. The load-balancing, fault-tolerance, and scalability in MapReduce allow screening of very large conformation spaces not approachable with traditional clustering methods. We analyze results for docking trials for 23 protein-ligand complexes for HIV protease, 21 protein-ligand complexes for Trypsin, and 12 protein-ligand complexes for P38alpha kinase. We also analyze cross docking trials for 24 ligands, each docking into 24 protein conformations of the HIV protease, and receptor ensemble docking trials for 24 ligands, each docking in a pool of HIV protease receptors. Our method demonstrates significant improvement over energy-only scoring for the accurate identification of native ligand geometries in all these docking assessments. The advantages of our clustering approach make it attractive for complex applications in real-world drug design efforts. We demonstrate that our method is particularly useful for clustering docking results using a minimal ensemble of representative protein conformational states (receptor ensemble docking), which is now a common strategy to address protein flexibility in molecular docking. Copyright © 2012 Elsevier Ltd. All rights reserved.

Postprocessing of docked protein-ligand complexes using implicit solvation models.

PubMed

Lindström, Anton; Edvinsson, Lotta; Johansson, Andreas; Andersson, C David; Andersson, Ida E; Raubacher, Florian; Linusson, Anna

2011-02-28

Molecular docking plays an important role in drug discovery as a tool for the structure-based design of small organic ligands for macromolecules. Possible applications of docking are identification of the bioactive conformation of a protein-ligand complex and the ranking of different ligands with respect to their strength of binding to a particular target. We have investigated the effect of implicit water on the postprocessing of binding poses generated by molecular docking using MM-PB/GB-SA (molecular mechanics Poisson-Boltzmann and generalized Born surface area) methodology. The investigation was divided into three parts: geometry optimization, pose selection, and estimation of the relative binding energies of docked protein-ligand complexes. Appropriate geometry optimization afforded more accurate binding poses for 20% of the complexes investigated. The time required for this step was greatly reduced by minimizing the energy of the binding site using GB solvation models rather than minimizing the entire complex using the PB model. By optimizing the geometries of docking poses using the GB(HCT+SA) model then calculating their free energies of binding using the PB implicit solvent model, binding poses similar to those observed in crystal structures were obtained. Rescoring of these poses according to their calculated binding energies resulted in improved correlations with experimental binding data. These correlations could be further improved by applying the postprocessing to several of the most highly ranked poses rather than focusing exclusively on the top-scored pose. The postprocessing protocol was successfully applied to the analysis of a set of Factor Xa inhibitors and a set of glycopeptide ligands for the class II major histocompatibility complex (MHC) A(q) protein. These results indicate that the protocol for the postprocessing of docked protein-ligand complexes developed in this paper may be generally useful for structure-based design in drug discovery.

Accurate determination of segmented X-ray detector geometry

PubMed Central

Yefanov, Oleksandr; Mariani, Valerio; Gati, Cornelius; White, Thomas A.; Chapman, Henry N.; Barty, Anton

2015-01-01

Recent advances in X-ray detector technology have resulted in the introduction of segmented detectors composed of many small detector modules tiled together to cover a large detection area. Due to mechanical tolerances and the desire to be able to change the module layout to suit the needs of different experiments, the pixels on each module might not align perfectly on a regular grid. Several detectors are designed to permit detector sub-regions (or modules) to be moved relative to each other for different experiments. Accurate determination of the location of detector elements relative to the beam-sample interaction point is critical for many types of experiment, including X-ray crystallography, coherent diffractive imaging (CDI), small angle X-ray scattering (SAXS) and spectroscopy. For detectors with moveable modules, the relative positions of pixels are no longer fixed, necessitating the development of a simple procedure to calibrate detector geometry after reconfiguration. We describe a simple and robust method for determining the geometry of segmented X-ray detectors using measurements obtained by serial crystallography. By comparing the location of observed Bragg peaks to the spot locations predicted from the crystal indexing procedure, the position, rotation and distance of each module relative to the interaction region can be refined. We show that the refined detector geometry greatly improves the results of experiments. PMID:26561117

Role of coordination geometry in dictating the barrier to hydride migration in d6 square-pyramidal iridium and rhodium pincer complexes.

PubMed

Findlater, Michael; Cartwright-Sykes, Alison; White, Peter S; Schauer, Cynthia K; Brookhart, Maurice

2011-08-10

Syntheses of the olefin hydride complexes [(POCOP)M(H)(olefin)][BAr(f)(4)] (6a-M, M = Ir or Rh, olefin = C(2)H(4); 6b-M, M = Ir or Rh, olefin = C(3)H(6); POCOP = 2,6-bis(di-tert-butylphosphinito)benzene; BAr(f) = tetrakis(3,5-trifluoromethylphenyl)borate) are reported. A single-crystal X-ray structure determination of 6b-Ir shows a square-pyramidal coordination geometry for Ir, with the hydride ligand occupying the apical position. Dynamic NMR techniques were used to characterize these complexes. The rates of site exchange between the hydride and the olefinic hydrogens yielded ΔG(++) = 15.6 (6a-Ir), 16.8 (6b-Ir), 12.0 (6a-Rh), and 13.7 (6b-Rh) kcal/mol. The NMR exchange data also established that hydride migration in the propylene complexes yields exclusively the primary alkyl intermediate arising from 1,2-insertion. Unexpectedly, no averaging of the top and bottom faces of the square-pyramidal complexes is observed in the NMR spectra at high temperatures, indicating that the barrier for facial equilibration is >20 kcal/mol for both the Ir and Rh complexes. A DFT computational study was used to characterize the free energy surface for the hydride migration reactions. The classical terminal hydride complexes, [M(POCOP)(olefin)H](+), are calculated to be the global minima for both Rh and Ir, in accord with experimental results. In both the Rh ethylene and propylene complexes, the transition state for hydride migration (TS1) to form the agostic species is higher on the energy surface than the transition state for in-place rotation of the coordinated C-H bond (TS2), while for Ir, TS2 is the high point on the energy surface. Therefore, only for the case of the Rh complexes is the NMR exchange rate a direct measure of the hydride migration barrier. The trends in the experimental barriers as a function of M and olefin are in good agreement with the trends in the calculated exchange barriers. The calculated barriers for the hydride migration reaction in the Rh complexes are ∼2 kcal/mol higher than for the Ir complexes, despite the fact that the energy difference between the olefin hydride ground state and the agostic alkyl structure is ∼4 kcal/mol larger for Ir than for Rh. This feature, together with the high barrier for interchange of the top and bottom faces of the complexes, is proposed to arise from the unique coordination geometry of the agostic complexes and the strong preference for a cis-divacant octahedral geometry in four-coordinate intermediates. © 2011 American Chemical Society

Multi-Dimensional Analysis of Large, Complex Slope Instability: Case study of Downie Slide, British Columbia, Canada. (Invited)

NASA Astrophysics Data System (ADS)

Kalenchuk, K. S.; Hutchinson, D.; Diederichs, M. S.

2013-12-01

Downie Slide, one of the world's largest landslides, is a massive, active, composite, extremely slow rockslide located on the west bank of the Revelstoke Reservoir in British Columbia. It is a 1.5 billion m3 rockslide measuring 2400 m along the river valley, 3300m from toe to headscarp and up to 245 m thick. Significant contributions to the field of landslide geomechanics have been made by analyses of spatially and temporally discriminated slope deformations, and how these are controlled by complex geological and geotechnical factors. Downie Slide research demonstrates the importance of delineating massive landslides into morphological regions in order to characterize global slope behaviour and identify localized events, which may or may not influence the overall slope deformation patterns. Massive slope instabilities do not behave as monolithic masses, rather, different landslide zones can display specific landslide processes occurring at variable rates of deformation. The global deformation of Downie Slide is extremely slow moving; however localized regions of the slope incur moderate to high rates of movement. Complex deformation processes and composite failure mechanism are contributed to by topography, non-uniform shear surfaces, heterogeneous rockmass and shear zone strength and stiffness characteristics. Further, from the analysis of temporal changes in landslide behaviour it has been clearly recognized that different regions of the slope respond differently to changing hydrogeological boundary conditions. State-of-the-art methodologies have been developed for numerical simulation of large landslides; these provide important tools for investigating dynamic landslide systems which account for complex three-dimensional geometries, heterogenous shear zone strength parameters, internal shear zones, the interaction of discrete landslide zones and piezometric fluctuations. Numerical models of Downie Slide have been calibrated to reproduce observed slope behaviour, and the calibration process has provided important insight to key factors controlling massive slope mechanics. Through numerical studies it has been shown that the three-dimensional interpretation of basal slip surface geometry and spatial heterogeneity in shear zone stiffness are important factors controlling large-scale slope deformation processes. The role of secondary internal shears and the interaction between landslide morphological zones has also been assessed. Further, numerical simulation of changing groundwater conditions has produced reasonable correlation with field observations. Calibrated models are valuable tools for the forward prediction of landslide dynamics. Calibrated Downie Slide models have been used to investigate how trigger scenarios may accelerate deformations at Downie Slide. The ability to reproduce observed behaviour and forward test hypothesized changes to boundary conditions has valuable application in hazard management of massive landslides. The capacity of decision makers to interpret large amounts of data, respond to rapid changes in a system and understand complex slope dynamics has been enhanced.

Three-dimensional curved grid finite-difference modelling for non-planar rupture dynamics

NASA Astrophysics Data System (ADS)

Zhang, Zhenguo; Zhang, Wei; Chen, Xiaofei

2014-11-01

In this study, we present a new method for simulating the 3-D dynamic rupture process occurring on a non-planar fault. The method is based on the curved-grid finite-difference method (CG-FDM) proposed by Zhang & Chen and Zhang et al. to simulate the propagation of seismic waves in media with arbitrary irregular surface topography. While keeping the advantages of conventional FDM, that is computational efficiency and easy implementation, the CG-FDM also is flexible in modelling the complex fault model by using general curvilinear grids, and thus is able to model the rupture dynamics of a fault with complex geometry, such as oblique dipping fault, non-planar fault, fault with step-over, fault branching, even if irregular topography exists. The accuracy and robustness of this new method have been validated by comparing with the previous results of Day et al., and benchmarks for rupture dynamics simulations. Finally, two simulations of rupture dynamics with complex fault geometry, that is a non-planar fault and a fault rupturing a free surface with topography, are presented. A very interesting phenomenon was observed that topography can weaken the tendency for supershear transition to occur when rupture breaks out at a free surface. Undoubtedly, this new method provides an effective, at least an alternative, tool to simulate the rupture dynamics of a complex non-planar fault, and can be applied to model the rupture dynamics of a real earthquake with complex geometry.

Verification of target motion effects on SAR imagery using the Gotcha GMTI challenge dataset

NASA Astrophysics Data System (ADS)

Hack, Dan E.; Saville, Michael A.

2010-04-01

This paper investigates the relationship between a ground moving target's kinematic state and its SAR image. While effects such as cross-range offset, defocus, and smearing appear well understood, their derivations in the literature typically employ simplifications of the radar/target geometry and assume point scattering targets. This study adopts a geometrical model for understanding target motion effects in SAR imagery, termed the target migration path, and focuses on experimental verification of predicted motion effects using both simulated and empirical datasets based on the Gotcha GMTI challenge dataset. Specifically, moving target imagery is generated from three data sources: first, simulated phase history for a moving point target; second, simulated phase history for a moving vehicle derived from a simulated Mazda MPV X-band signature; and third, empirical phase history from the Gotcha GMTI challenge dataset. Both simulated target trajectories match the truth GPS target position history from the Gotcha GMTI challenge dataset, allowing direct comparison between all three imagery sets and the predicted target migration path. This paper concludes with a discussion of the parallels between the target migration path and the measurement model within a Kalman filtering framework, followed by conclusions.

Definition and verification of a complex aircraft for aerodynamic calculations

NASA Technical Reports Server (NTRS)

Edwards, T. A.

1986-01-01

Techniques are reviewed which are of value in CAD/CAM CFD studies of the geometries of new fighter aircraft. In order to refine the computations of the flows to take advantage of the computing power available from supercomputers, it is often necessary to interpolate the geometry of the mesh selected for the numerical analysis of the aircraft shape. Interpolating the geometry permits a higher level of detail in calculations of the flow past specific regions of a design. A microprocessor-based mathematics engine is described for fast image manipulation and rotation to verify that the interpolated geometry will correspond to the design geometry in order to ensure that the flow calculations will remain valid through the interpolation. Applications of the image manipulation system to verify geometrical representations with wire-frame and shaded-surface images are described.

INTEGRATING GEOPHYSICS, GEOLOGY, AND HYDROLOGY TO DETERMINE BEDROCK GEOMETRY CONTROLS ON THE ORIGIN OF ISOLATED MEADOW COMPLEXES WITHIN THE CENTRAL GREAT BASIN, NEVADA

EPA Science Inventory

Riparian meadow complexes found in mountain ranges of the Central Great Basin physiographic region (western United States) are of interest to researchers as they contain significant biodiversity relative to the surrounding basin areas. These meadow complexes are currently degradi...

Synthesis and synergistic antifungal activities of a pyrazoline based ligand and its copper(II) and nickel(II) complexes with conventional antifungals.

PubMed

Ali, Imran; Wani, Waseem A; Khan, Amber; Haque, Ashanul; Ahmad, Aijaz; Saleem, Kishwar; Manzoor, Nikhat

2012-08-01

A pyrazoline based ligand; (5-(4-chlorophenyl)-3-phenyl-4, 5-dihydro-1H-pyrazole-1-carbothioamide) has been synthesized by Claisen-Schmidt condensation of acetophenone with p-chlorobenzaldehyde, followed by sodium hydroxide assisted cyclization of the resulting chalcone with thiosemicarbazide. Metal ion complexes of the synthesized ligand were prepared with Cu(II) and Ni(II) metal ions, separately and respectively. Ligand and the metal complexes were characterized by elemental analysis, FT-IR, UV-Vis, (1)HNMR, ESI-MS and (13)CNMR spectroscopic techniques. Molar conductance measurements in DMSO suggested non-electrolytic nature of the complexes. Tetragonally distorted octahedral geometry for copper and octahedral geometry for the nickel complexes was proposed on the basis of UV-Vis spectroscopic studies and magnetic moment measurements. The complexes were investigated for their ability to kill human fungal pathogen Candida by determining MICs (Minimum inhibitory concentrations), inhibition in solid media and ability to produce a possible synergism with conventional most clinically practiced antifungals by disc diffusion assay and FICI (fractional inhibitory concentration index). Copyright © 2012 Elsevier Ltd. All rights reserved.

Syntheses, spectroscopic characterization, thermal study, molecular modeling, and biological evaluation of novel Schiff's base benzil bis(5-amino-1,3,4-thiadiazole-2-thiol) with Ni(II), and Cu(II) metal complexes

NASA Astrophysics Data System (ADS)

Chandra, Sulekh; Gautam, Seema; Rajor, Hament Kumar; Bhatia, Rohit

2015-02-01

Novel Schiff's base ligand, benzil bis(5-amino-1,3,4-thiadiazole-2-thiol) was synthesized by the condensation of benzil and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio. The structure of ligand was determined on the basis of elemental analyses, IR, 1H NMR, mass, and molecular modeling studies. Synthesized ligand behaved as tetradentate and coordinated to metal ion through sulfur atoms of thiol ring and nitrogen atoms of imine group. Ni(II), and Cu(II) complexes were synthesized with this nitrogen-sulfur donor (N2S2) ligand. Metal complexes were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, IR, electronic spectra, EPR, thermal, and molecular modeling studies. All the complexes showed molar conductance corresponding to non-electrolytic nature, expect [Ni(L)](NO3)2 complex, which was 1:2 electrolyte in nature. [Cu(L)(SO4)] complex may possessed square pyramidal geometry, [Ni(L)](NO3)2 complex tetrahedral and rest of the complexes six coordinated octahedral/tetragonal geometry. Newly synthesized ligand and its metal complexes were examined against the opportunistic pathogens. Results suggested that metal complexes were more biological sensitive than free ligand.

Complex-valued derivative propagation method with approximate Bohmian trajectories: Application to electronic nonadiabatic dynamics

NASA Astrophysics Data System (ADS)

Wang, Yu; Chou, Chia-Chun

2018-05-01

The coupled complex quantum Hamilton-Jacobi equations for electronic nonadiabatic transitions are approximately solved by propagating individual quantum trajectories in real space. Equations of motion are derived through use of the derivative propagation method for the complex actions and their spatial derivatives for wave packets moving on each of the coupled electronic potential surfaces. These equations for two surfaces are converted into the moving frame with the same grid point velocities. Excellent wave functions can be obtained by making use of the superposition principle even when nodes develop in wave packet scattering.

Moving Particles Through a Finite Element Mesh

PubMed Central

Peskin, Adele P.; Hardin, Gary R.

1998-01-01

We present a new numerical technique for modeling the flow around multiple objects moving in a fluid. The method tracks the dynamic interaction between each particle and the fluid. The movements of the fluid and the object are directly coupled. A background mesh is designed to fit the geometry of the overall domain. The mesh is designed independently of the presence of the particles except in terms of how fine it must be to track particles of a given size. Each particle is represented by a geometric figure that describes its boundary. This figure overlies the mesh. Nodes are added to the mesh where the particle boundaries intersect the background mesh, increasing the number of nodes contained in each element whose boundary is intersected. These additional nodes are then used to describe and track the particle in the numerical scheme. Appropriate element shape functions are defined to approximate the solution on the elements with extra nodes. The particles are moved through the mesh by moving only the overlying nodes defining the particles. The regular finite element grid remains unchanged. In this method, the mesh does not distort as the particles move. Instead, only the placement of particle-defining nodes changes as the particles move. Element shape functions are updated as the nodes move through the elements. This method is especially suited for models of moderate numbers of moderate-size particles, where the details of the fluid-particle coupling are important. Both the complications of creating finite element meshes around appreciable numbers of particles, and extensive remeshing upon movement of the particles are simplified in this method. PMID:28009377

SU-E-T-106: Development of a Collision Prediction Algorithm for Determining Problematic Geometry for SBRT Treatments Using a Stereotactic Body Frame

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagar, M; Friesen, S; Mannarino, E

2014-06-01

Purpose: Collision between the gantry and the couch or patient during Radiotherapy is not a common concern for conventional RT (static fields or arc). With the increase in the application of stereotactic planning techniques to the body, collisions have become a greater concern. Non-coplanar beam geometry is desirable in stereotatic treatments in order to achieve sharp gradients and a high conformality. Non-coplanar geometry is less intuitive in the body and often requires an iterative process of planning and dry runs to guarantee deliverability. Methods: Purpose written software was developed in order to predict the likelihood of collision between the headmore » of the gantry and the couch, patient or stereotatic body frame. Using the DICOM plan and structures set, exported by the treatment planning system, this software is able to predict the possibility of a collision. Given the plan's isocenter, treatment geometry and exterior contours, the software is able to determine if a particular beam/arc is clinically deliverable or if collision is imminent. Results: The software was tested on real world treatment plans with untreatable beam geometry. Both static non-coplanar and VMAT plans were tested. Of these, the collision prediction software could identify all as having potentially problematic geometry. Re-plans of the same cases were also tested and validated as deliverable. Conclusion: This software is capable of giving good initial indication of deliverability for treatment plans that utilize complex geometry (SBRT) or have lateral isocenters. This software is not intended to replace the standard pre-treatment QA dry run. The effectiveness is limited to those portions of the patient and immobilization devices that have been included in the simulation CT and contoured in the planning system. It will however aid the planner in reducing the iterations required to create complex treatment geometries necessary to achieve ideal conformality and organ sparing.« less

Extending rule-based methods to model molecular geometry and 3D model resolution.

PubMed

Hoard, Brittany; Jacobson, Bruna; Manavi, Kasra; Tapia, Lydia

2016-08-01

Computational modeling is an important tool for the study of complex biochemical processes associated with cell signaling networks. However, it is challenging to simulate processes that involve hundreds of large molecules due to the high computational cost of such simulations. Rule-based modeling is a method that can be used to simulate these processes with reasonably low computational cost, but traditional rule-based modeling approaches do not include details of molecular geometry. The incorporation of geometry into biochemical models can more accurately capture details of these processes, and may lead to insights into how geometry affects the products that form. Furthermore, geometric rule-based modeling can be used to complement other computational methods that explicitly represent molecular geometry in order to quantify binding site accessibility and steric effects. We propose a novel implementation of rule-based modeling that encodes details of molecular geometry into the rules and binding rates. We demonstrate how rules are constructed according to the molecular curvature. We then perform a study of antigen-antibody aggregation using our proposed method. We simulate the binding of antibody complexes to binding regions of the shrimp allergen Pen a 1 using a previously developed 3D rigid-body Monte Carlo simulation, and we analyze the aggregate sizes. Then, using our novel approach, we optimize a rule-based model according to the geometry of the Pen a 1 molecule and the data from the Monte Carlo simulation. We use the distances between the binding regions of Pen a 1 to optimize the rules and binding rates. We perform this procedure for multiple conformations of Pen a 1 and analyze the impact of conformation and resolution on the optimal rule-based model. We find that the optimized rule-based models provide information about the average steric hindrance between binding regions and the probability that antibodies will bind to these regions. These optimized models quantify the variation in aggregate size that results from differences in molecular geometry and from model resolution.

Integrated Experimental and Numerical Research on the Aerodynamics of Unsteady Moving Aircraft

DTIC Science & Technology

2007-06-01

blended wing body configuration were tested in different modes of oscillatory motions roll, pitch and yaw as well as delta wing geometries like X-31...airplane configurations (e.g. wide body, green aircraft, blended wing body) the approach up to now using semi-empirical methods as standard...cross section wing. In order to evaluate the influence of individual components of the tested airplane configuration, such as winglets , vertical or

Numerical simulation of rotating body movement in medium with various densities

NASA Astrophysics Data System (ADS)

Tenenev, Valentin A.; Korolev, Stanislav A.; Rusyak, Ivan G.

2016-10-01

The paper proposes an approach to calculate the motion of rotating bodies in resisting medium by solving the Kirchhoff equations of motion in a coordinate system moving with the body and in determination of aerodynamic characteristics of the body with a given geometry by solving the Navier-Stokes equations. We present the phase trajectories of the perturbed motion of a rotating projectile in media with different densities: gas and liquid.

Rigid levitation, flux pinning, thermal depinning and fluctuation in high-Tc superconductors

NASA Technical Reports Server (NTRS)

Brandt, E. H.

1991-01-01

Here, the author shows that the strong velocity-independent frictional force on a levitating superconductor and on any type-II superconductor moving in a homogeneous magnetic field is caused by pinning and depinning of the magnetic flux lines in its interior. Levitation may thus be used to investigate the pinning properties of a superconductor, and friction in a superconductor bearing may be minimized by choosing appropriate materials and geometries.

Object recognition for autonomous robot utilizing distributed knowledge database

NASA Astrophysics Data System (ADS)

Takatori, Jiro; Suzuki, Kenji; Hartono, Pitoyo; Hashimoto, Shuji

2003-10-01

In this paper we present a novel method of object recognition utilizing a remote knowledge database for an autonomous robot. The developed robot has three robot arms with different sensors; two CCD cameras and haptic sensors. It can see, touch and move the target object from different directions. Referring to remote knowledge database of geometry and material, the robot observes and handles the objects to understand them including their physical characteristics.

MONTE CARLO SIMULATIONS OF PERIODIC PULSED REACTOR WITH MOVING GEOMETRY PARTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, Yan; Gohar, Yousry

2015-11-01

In a periodic pulsed reactor, the reactor state varies periodically from slightly subcritical to slightly prompt supercritical for producing periodic power pulses. Such periodic state change is accomplished by a periodic movement of specific reactor parts, such as control rods or reflector sections. The analysis of such reactor is difficult to perform with the current reactor physics computer programs. Based on past experience, the utilization of the point kinetics approximations gives considerable errors in predicting the magnitude and the shape of the power pulse if the reactor has significantly different neutron life times in different zones. To accurately simulate themore » dynamics of this type of reactor, a Monte Carlo procedure using the transfer function TRCL/TR of the MCNP/MCNPX computer programs is utilized to model the movable reactor parts. In this paper, two algorithms simulating the geometry part movements during a neutron history tracking have been developed. Several test cases have been developed to evaluate these procedures. The numerical test cases have shown that the developed algorithms can be utilized to simulate the reactor dynamics with movable geometry parts.« less

KSC-2011-8236

NASA Image and Video Library

2011-12-11

CAPE CANAVERAL, Fla. – The high-fidelity space shuttle model that was on display at the NASA Kennedy Space Center Visitor Complex in Florida nears the intersection of NASA Causeway and Kennedy Parkway. It is standard procedure for large payloads and equipment to travel against the normal flow of traffic under the supervision of a move crew when being transported on or off center property. The model is being moved from the visitor complex to NASA Kennedy Space Center's Launch Complex 39 turn basin. The shuttle was part of a display at the visitor complex that also included an external tank and two solid rocket boosters that were used to show visitors the size of actual space shuttle components. The full-scale shuttle model is being transferred from Kennedy to Space Center Houston, NASA Johnson Space Center's visitor center. The model will stay at the turn basin for a few months until it is ready to be transported to Texas via barge. The move also helps clear the way for the Kennedy Space Center Visitor Complex to begin construction of a new facility next year to display space shuttle Atlantis in 2013. For more information about Space Center Houston, visit http://www.spacecenter.org. Photo credit: NASA/Dimitri Gerondidakis

A Geometry Based Infra-structure for Computational Analysis and Design

NASA Technical Reports Server (NTRS)

Haimes, Robert

1997-01-01

The computational steps traditionally taken for most engineering analysis (CFD, structural analysis, and etc.) are: Surface Generation - usually by employing a CAD system; Grid Generation - preparing the volume for the simulation; Flow Solver - producing the results at the specified operational point; and Post-processing Visualization - interactively attempting to understand the results For structural analysis, integrated systems can be obtained from a number of commercial vendors. For CFD, these steps have worked well in the past for simple steady-state simulations at the expense of much user interaction. The data was transmitted between phases via files. Specifically the problems with this procedure are: (1) File based. Information flows from one step to the next via data files with formats specified for that procedure. (2) 'Good' Geometry. A bottleneck in getting results from a solver is the construction of proper geometry to be fed to the grid generator. With 'good' geometry a grid can be constructed in tens of minutes (even with a complex configuration) using unstructured techniques. (3) One-Way communication. All information travels on from one phase to the next. Until this process can be automated, more complex problems such as multi-disciplinary analysis or using the above procedure for design becomes prohibitive.

Analysis of diffusion in curved surfaces and its application to tubular membranes

PubMed Central

Klaus, Colin James Stockdale; Raghunathan, Krishnan; DiBenedetto, Emmanuele; Kenworthy, Anne K.

2016-01-01

Diffusion of particles in curved surfaces is inherently complex compared with diffusion in a flat membrane, owing to the nonplanarity of the surface. The consequence of such nonplanar geometry on diffusion is poorly understood but is highly relevant in the case of cell membranes, which often adopt complex geometries. To address this question, we developed a new finite element approach to model diffusion on curved membrane surfaces based on solutions to Fick’s law of diffusion and used this to study the effects of geometry on the entry of surface-bound particles into tubules by diffusion. We show that variations in tubule radius and length can distinctly alter diffusion gradients in tubules over biologically relevant timescales. In addition, we show that tubular structures tend to retain concentration gradients for a longer time compared with a comparable flat surface. These findings indicate that sorting of particles along the surfaces of tubules can arise simply as a geometric consequence of the curvature without any specific contribution from the membrane environment. Our studies provide a framework for modeling diffusion in curved surfaces and suggest that biological regulation can emerge purely from membrane geometry. PMID:27733625

Direct-Write Printing on Three-Dimensional Geometries for Miniaturized Detector and Electronic Assemblies

NASA Technical Reports Server (NTRS)

Paquette, Beth; Samuels, Margaret; Chen, Peng

2017-01-01

Direct-write printing techniques will enable new detector assemblies that were not previously possible with traditional assembly processes. Detector concepts were manufactured using this technology to validate repeatability. Additional detector applications and printed wires on a 3-dimensional magnetometer bobbin will be designed for print. This effort focuses on evaluating performance for direct-write manufacturing techniques on 3-dimensional surfaces. Direct-write manufacturing has the potential to reduce mass and volume for fabrication and assembly of advanced detector concepts by reducing trace widths down to 10 microns, printing on complex geometries, allowing new electronic concept production, and reduced production times of complex those electronics.

Topology optimization of a gas-turbine engine part

NASA Astrophysics Data System (ADS)

Faskhutdinov, R. N.; Dubrovskaya, A. S.; Dongauzer, K. A.; Maksimov, P. V.; Trufanov, N. A.

2017-02-01

One of the key goals of aerospace industry is a reduction of the gas turbine engine weight. The solution of this task consists in the design of gas turbine engine components with reduced weight retaining their functional capabilities. Topology optimization of the part geometry leads to an efficient weight reduction. A complex geometry can be achieved in a single operation with the Selective Laser Melting technology. It should be noted that the complexity of structural features design does not affect the product cost in this case. Let us consider a step-by-step procedure of topology optimization by an example of a gas turbine engine part.

Polarization- and wavelength-resolved near-field imaging of complex plasmonic modes in Archimedean nanospirals

DOE PAGES

Hachtel, Jordan A.; Davidson, II, Roderick B.; Kovalik, Elena R.; ...

2018-02-15

Asymmetric nanophotonic structures enable a wide range of opportunities in optical nanotechnology because they support efficient optical nonlinearities mediated by multiple plasmon resonances over a broad spectral range. The Archimedean nanospiral is a canonical example of a chiral plasmonic structure because it supports even-order nonlinearities that are not generally accessible in locally symmetric geometries. However, the complex spiral response makes nanoscale experimental characterization of the plasmonic near-field structure highly desirable. As a result, we employ high-efficiency, high-spatial-resolution cathodoluminescence imaging in a scanning transmission electron microscope to describe the spatial, spectral, and polarization response of plasmon modes in the nanospiral geometry.

Incremental electrohydraulic forming - A new approach for the manufacture of structured multifunctional sheet metal blanks

NASA Astrophysics Data System (ADS)

Djakow, Eugen; Springer, Robert; Homberg, Werner; Piper, Mark; Tran, Julian; Zibart, Alexander; Kenig, Eugeny

2017-10-01

Electrohydraulic Forming (EHF) processes permit the production of complex, sharp-edged geometries even when high-strength materials are used. Unfortunately, the forming zone is often limited as compared to other sheet metal forming processes. The use of a special industrial-robot-based tool setup and an incremental process strategy could provide a promising solution for this problem. This paper describes such an innovative approach using an electrohydraulic incremental forming machine, which can be employed to manufacture the large multifunctional and complex part geometries in steel, aluminium, magnesium and reinforced plastic that are employed in lightweight constructions or heating elements.

Polarization- and wavelength-resolved near-field imaging of complex plasmonic modes in Archimedean nanospirals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hachtel, Jordan A.; Davidson, II, Roderick B.; Kovalik, Elena R.

Asymmetric nanophotonic structures enable a wide range of opportunities in optical nanotechnology because they support efficient optical nonlinearities mediated by multiple plasmon resonances over a broad spectral range. The Archimedean nanospiral is a canonical example of a chiral plasmonic structure because it supports even-order nonlinearities that are not generally accessible in locally symmetric geometries. However, the complex spiral response makes nanoscale experimental characterization of the plasmonic near-field structure highly desirable. As a result, we employ high-efficiency, high-spatial-resolution cathodoluminescence imaging in a scanning transmission electron microscope to describe the spatial, spectral, and polarization response of plasmon modes in the nanospiral geometry.

6-DoF Haptic Rendering Using Continuous Collision Detection between Points and Signed Distance Fields.

PubMed

Hongyi Xu; Barbic, Jernej

2017-01-01

We present an algorithm for fast continuous collision detection between points and signed distance fields, and demonstrate how to robustly use it for 6-DoF haptic rendering of contact between objects with complex geometry. Continuous collision detection is often needed in computer animation, haptics, and virtual reality applications, but has so far only been investigated for polygon (triangular) geometry representations. We demonstrate how to robustly and continuously detect intersections between points and level sets of the signed distance field. We suggest using an octree subdivision of the distance field for fast traversal of distance field cells. We also give a method to resolve continuous collisions between point clouds organized into a tree hierarchy and a signed distance field, enabling rendering of contact between rigid objects with complex geometry. We investigate and compare two 6-DoF haptic rendering methods now applicable to point-versus-distance field contact for the first time: continuous integration of penalty forces, and a constraint-based method. An experimental comparison to discrete collision detection demonstrates that the continuous method is more robust and can correctly resolve collisions even under high velocities and during complex contact.

Modeling and Simulation of Lab-on-a-Chip Systems

DTIC Science & Technology

2005-08-12

complex chip geometries (including multiple turns). Variations of sample concentration profiles in laminar diffusion-based micromixers are also derived...CHAPTER 6 MODELING OF LAMINAR DIFFUSION-BASED COMPLEX ELECTROKINETIC PASSIVE MICROMIXERS ...140 6.4.4 Multi-Stream (Inter-Digital) Micromixers

Collecting and Analyzing Stakeholder Feedback for Signing at Complex Interchanges

DOT National Transportation Integrated Search

2014-10-01

The purpose of this project was to identify design constraints related to signing, markings, and geometry for complex interchanges, and then to identify useful topics for future research that will yield findings that can address those design issues. ...

Impact of pre- and/or syn-tectonic salt layers in the hangingwall geometry of a kinked-planar extensional fault: insights from analogue modelling and comparison with the Parentis basin (bay of Biscay)

NASA Astrophysics Data System (ADS)

Ferrer, O.; Vendeville, B. C.; Roca, E.

2012-04-01

Using sandbox analogue modelling we determine the role played by a pre-kinematic or a syn-kinematic viscous salt layer during rollover folding of the hangingwall of a normal fault with a variable kinked-planar geometry, as well as understand the origin and the mechanisms that control the formation, kinematic evolution and geometry of salt structures developed in the hangingwall of this fault. The experiments we conducted consisted of nine models made of dry quartz-sand (35μm average grain size) simulating brittle rocks and a viscous silicone polymer (SMG 36 from Dow Corning) simulating salt in nature. The models were constructed between two end walls, one of which was fixed, whereas the other was moved by a motor-driven worm screw. The fixed wall was part of the rigid footwall of the model's master border fault. This fault was simulated using three different wood block configurations, which was overlain by a flexible (but not stretchable) sheet that was attached to the mobile endwall of the model. We applied three different infill hangingwall configurations to each fault geometry: (1) without silicone (sand only), (2) sand overlain by a pre-kinematic silicone layer deposited above the entire hanginwall, and (3) sand partly overlain by a syn-kinematic silicone layer that overlain only parts of the hangingwall. All models were subjected to a 14 cm of basement extension in a direction orthogonal to that of the border fault. Results show that the presence of a viscous layer (silicone) clearly controls the deformation pattern of the hangingwall. Thus, regardless of the silicone layer's geometry (either pre- or syn-extensional) or the geometry of the extensional fault, the silicone layer acts as a very efficient detachment level separating two different structural styles in each unit. In particular, the silicone layer acts as an extensional ductile shear zone inhibiting upward propagation of normal faults and/or shears bands from the sub-silicone layers. Whereas the basement is affected by antithetic normal faults that are more or less complex depending on the geometry of the master fault, the lateral flow of the silicone produces salt-cored anticlines, walls and diapirs in the overburden of the hangingwall. The mechanical behavior of the silicone layer as an extensional shear zone, combined with the lateral changes in pressure gradients due to overburden thickness changes, triggered the silicone migration from the half-graben depocenter towards the rollover shoulder. As a result, the accumulation of silicone produces gentle silicone-cored anticlines and local diapirs with minor extensional faults. Upwards fault propagation from the sub-silicone "basement" to the supra-silicone unit only occurs either when the supra- and sub-silicone materials are welded, or when the amount of slip along the master fault is large enough so that the tip of the silicone reaches the junction between the upper and lower panels of the master faults. Comparison between the results of these models with data from the western offshore Parentis Basin (Eastern Bay of Biscay) validates the structural interpretation of this region.

Spontaneous flow in polar active fluids: the effect of a phenomenological self propulsion-like term.

PubMed

Bonelli, Francesco; Gonnella, Giuseppe; Tiribocchi, Adriano; Marenduzzo, Davide

2016-01-01

We present hybrid lattice Boltzmann simulations of extensile and contractile active fluids where we incorporate phenomenologically the tendency of active particles such as cell and bacteria, to move, or swim, along the local orientation. Quite surprisingly, we show that the interplay between alignment and activity can lead to completely different results, according to geometry (periodic boundary conditions or confinement between flat walls) and nature of the activity (extensile or contractile). An interesting generic outcome is that the alignment interaction can transform stationary active patterns into continuously moving ones: the dynamics of these evolving patterns can be oscillatory or chaotic according to the strength of the alignment term. Our results suggest that flow-polarisation alignment can have important consequences on the collective dynamics of active fluids and active gel.

Studies on N-picolinoyl-N‧-benzothioylhydrazide and its Zn(II) complex: Synthesis, structure, antibacterial activity, thermal analysis and DFT calculation

NASA Astrophysics Data System (ADS)

Kushawaha, S. K.; Dani, R. K.; Bharty, M. K.; Chaudhari, U. K.; Sharma, V. K.; Kharwar, R. N.; Singh, N. K.

2014-04-01

A new Zn(II) complex [Zn(pbth)2] (where Hpbth = N-picolinoyl-N‧-benzothioylhydrazide) has been synthesized and characterized by elemental analyses, IR, UV-Visible and single crystal X-ray data. The distorted octahedral complex [Zn(pbth)2] crystallizes in monoclinic system with space group C2/c and is stabilized by various types of inter and intramolecular extended hydrogen bonding providing supramolecular framework. The optimized molecular geometry of N-picolinoyl-N‧-benzothioylhydrazide (Hpbth) and the zinc complex in the ground state have been calculated by using the DFT method using B3LYP functional with 6-311 G(d,p){C,H,N,O,S}/Lanl2DZ basis set. The results of the optimized molecular geometry are presented and compared with the experimental X-ray diffraction data. In addition, quantum chemical calculations of Hpbth and the complex, molecular electrostatic potential (MEP), contour map and frontier molecular orbital analysis were performed. The solid state electrical conductivity and thermal behaviour (TGA) of the complex were investigated. The bioefficacy of the complex has been examined against the growth of bacteria in vitro to evaluate its anti-microbial potential.

Development of a Robust and Efficient Parallel Solver for Unsteady Turbomachinery Flows

NASA Technical Reports Server (NTRS)

West, Jeff; Wright, Jeffrey; Thakur, Siddharth; Luke, Ed; Grinstead, Nathan

2012-01-01

The traditional design and analysis practice for advanced propulsion systems relies heavily on expensive full-scale prototype development and testing. Over the past decade, use of high-fidelity analysis and design tools such as CFD early in the product development cycle has been identified as one way to alleviate testing costs and to develop these devices better, faster and cheaper. In the design of advanced propulsion systems, CFD plays a major role in defining the required performance over the entire flight regime, as well as in testing the sensitivity of the design to the different modes of operation. Increased emphasis is being placed on developing and applying CFD models to simulate the flow field environments and performance of advanced propulsion systems. This necessitates the development of next generation computational tools which can be used effectively and reliably in a design environment. The turbomachinery simulation capability presented here is being developed in a computational tool called Loci-STREAM [1]. It integrates proven numerical methods for generalized grids and state-of-the-art physical models in a novel rule-based programming framework called Loci [2] which allows: (a) seamless integration of multidisciplinary physics in a unified manner, and (b) automatic handling of massively parallel computing. The objective is to be able to routinely simulate problems involving complex geometries requiring large unstructured grids and complex multidisciplinary physics. An immediate application of interest is simulation of unsteady flows in rocket turbopumps, particularly in cryogenic liquid rocket engines. The key components of the overall methodology presented in this paper are the following: (a) high fidelity unsteady simulation capability based on Detached Eddy Simulation (DES) in conjunction with second-order temporal discretization, (b) compliance with Geometric Conservation Law (GCL) in order to maintain conservative property on moving meshes for second-order time-stepping scheme, (c) a novel cloud-of-points interpolation method (based on a fast parallel kd-tree search algorithm) for interfaces between turbomachinery components in relative motion which is demonstrated to be highly scalable, and (d) demonstrated accuracy and parallel scalability on large grids (approx 250 million cells) in full turbomachinery geometries.

Numerical Models of Human Circulatory System under Altered Gravity: Brain Circulation

NASA Technical Reports Server (NTRS)

Kim, Chang Sung; Kiris, Cetin; Kwak, Dochan; David, Tim

2003-01-01

A computational fluid dynamics (CFD) approach is presented to model the blood flow through the human circulatory system under altered gravity conditions. Models required for CFD simulation relevant to major hemodynamic issues are introduced such as non-Newtonian flow models governed by red blood cells, a model for arterial wall motion due to fluid-wall interactions, a vascular bed model for outflow boundary conditions, and a model for auto-regulation mechanism. The three-dimensional unsteady incompressible Navier-Stokes equations coupled with these models are solved iteratively using the pseudocompressibility method and dual time stepping. Moving wall boundary conditions from the first-order fluid-wall interaction model are used to study the influence of arterial wall distensibility on flow patterns and wall shear stresses during the heart pulse. A vascular bed modeling utilizing the analogy with electric circuits is coupled with an auto-regulation algorithm for multiple outflow boundaries. For the treatment of complex geometry, a chimera overset grid technique is adopted to obtain connectivity between arterial branches. For code validation, computed results are compared with experimental data for steady and unsteady non-Newtonian flows. Good agreement is obtained for both cases. In sin-type Gravity Benchmark Problems, gravity source terms are added to the Navier-Stokes equations to study the effect of gravitational variation on the human circulatory system. This computational approach is then applied to localized blood flows through a realistic carotid bifurcation and two Circle of Willis models, one using an idealized geometry and the other model using an anatomical data set. A three- dimensional anatomical Circle of Willis configuration is reconstructed from human-specific magnetic resonance images using an image segmentation method. The blood flow through these Circle of Willis models is simulated to provide means for studying gravitational effects on the brain circulation under auto-regulation.

Retrieval of Aerosol Properties from the Hyper Angular Rainbow Polarimeter (HARP) during the LMOS Campaign

NASA Astrophysics Data System (ADS)

Barbosa, H. M.; Martins, J. V.; McBride, B.; Espinosa, R.; Fernandez Borda, R. A.; Remer, L.; Dubovik, O.

2017-12-01

The largest impediments to estimating climate change revolve around a lack of quantitative information on aerosol forcing and our poor understanding of aerosol-cloud processes and cloud feedbacks in the climate system. This is so because global aerosol and cloud data come from satellite sensors that, today, measure limited subsets of the full Stokes parameters. Most measure only spectral intensity at one geometry, or at a severely limited set of geometries, or measure polarization non-simultaneously using a filter wheel, with a low spatial resolution. To overcome this scientific gap, the Laboratory for Aerosols, Clouds and Optics (LACO) of UMBC developed the Hyper Angular Rainbow Polarimeter (HARP): a very simple but highly effective sensor that can simultaneously measure 3 angles of polarization, at 4 different wavelengths, to observe the same target with up to 60 viewing angles, with no moving parts. The HARP-Cubesat mission will fly next January, with the main objective of proving the on-flight capabilities of a highly accurate wide FOV hyperangle imaging polarimeter for characterizing aerosol and cloud properties. AirHARP is an exact copy of the HARP sensor but prepared to fly on aircrafts. Here we report on preliminary aerosol data analysis from its first measurements during the Lake Michigan Ozone Study (LMOS) field campaign last June. We will discuss how the polarization measurements are inverted using the GRASP (Generalized Retrieval of Aerosol and Surface Properties) inversion algorithm to obtain the aerosol size distribution, complex index of refraction and sphericity. For the flights on June 8th and 12th, we will compare the retrievals with those from the Aeronet station LMOS-ZION, specially setup for the campaign.

Shape memory alloy actuation for a variable area fan nozzle

NASA Astrophysics Data System (ADS)

Rey, Nancy; Tillman, Gregory; Miller, Robin M.; Wynosky, Thomas; Larkin, Michael J.; Flamm, Jeffrey D.; Bangert, Linda S.

2001-06-01

The ability to control fan nozzle exit area is an enabling technology for next generation high-bypass-ratio turbofan engines. Performance benefits for such designs are estimated at up to 9% in thrust specific fuel consumption (TSFC) relative to current fixed-geometry engines. Conventionally actuated variable area fan nozzle (VAN) concepts tend to be heavy and complicated, with significant aircraft integration, reliability and packaging issues. The goal of this effort was to eliminate these undesirable features and formulate a design that meets or exceeds leakage, durability, reliability, maintenance and manufacturing cost goals. A Shape Memory Alloy (SMA) bundled cable actuator acting to move an array of flaps around the fan nozzle annulus is a concept that meets these requirements. The SMA bundled cable actuator developed by the United Technologies Corporation (Patents Pending) provides significant work output (greater than 2200 in-lb per flap, through the range of motion) in a compact package and minimizes system complexity. Results of a detailed design study indicate substantial engine performance, weight, and range benefits. The SMA- based actuation system is roughly two times lighter than a conventional mechanical system, with significant aircraft direct operating cost savings (2-3%) and range improvements (5-6%) relative to a fixed-geometry nozzle geared turbofan. A full-scale sector model of this VAN system was built and then tested at the Jet Exit Test Facility at NASA Langley to demonstrate the system's ability to achieve 20% area variation of the nozzle under full scale aerodynamic loads. The actuator exceeded requirements, achieving repeated actuation against full-scale loads representative of typical cruise as well as greater than worst-case (ultimate) aerodynamic conditions. Based on these encouraging results, work is continuing with the goal of a flight test on a C-17 transport aircraft.

Chess players' eye movements reveal rapid recognition of complex visual patterns: Evidence from a chess-related visual search task.

PubMed

Sheridan, Heather; Reingold, Eyal M

2017-03-01

To explore the perceptual component of chess expertise, we monitored the eye movements of expert and novice chess players during a chess-related visual search task that tested anecdotal reports that a key differentiator of chess skill is the ability to visualize the complex moves of the knight piece. Specifically, chess players viewed an array of four minimized chessboards, and they rapidly searched for the target board that allowed a knight piece to reach a target square in three moves. On each trial, there was only one target board (i.e., the "Yes" board), and for the remaining "lure" boards, the knight's path was blocked on either the first move (the "Easy No" board) or the second move (i.e., "the Difficult No" board). As evidence that chess experts can rapidly differentiate complex chess-related visual patterns, the experts (but not the novices) showed longer first-fixation durations on the "Yes" board relative to the "Difficult No" board. Moreover, as hypothesized, the task strongly differentiated chess skill: Reaction times were more than four times faster for the experts relative to novices, and reaction times were correlated with within-group measures of expertise (i.e., official chess ratings, number of hours of practice). These results indicate that a key component of chess expertise is the ability to rapidly recognize complex visual patterns.

Observed behaviours of pre-term children in a social play situation with classroom peers.

PubMed

Nadeau, Line; Tessier, Réjean; Descôteaux, Amélie

2009-08-01

A number of studies have reported social adjustment problems in pre-term children. To observe the pre-term's behaviour in an experimental situation and correlate these observed behaviours with the children's peer-rated social behaviours (withdrawal, aggression and sociability/leadership). Of 56 pre-term children, 24 were classified as the sick pre-term (SPT) group and 32 children as the healthy pre-term (HPT) group. The comparison group comprised 56 healthy full-terms. The experimental situation used a game called Rush Hour, a labyrinth-type board game. The play situation was videotaped and behaviours (number of consecutive moves) were coded in real time. At 12 years of age, the sick pre-term (SPT) group exhibited fewer consecutive moves during the game than the other two groups, especially when the task became more complex (involving four consecutives moves). Moreover, the Complex Task Index was correlated with the social withdrawal score rated by peers. The at-birth sick pre-term gradually became less involved in a complex decision-making task and this was understood as a lesser ability to make a decision in a complex setting.

Dynamic ruptures on faults of complex geometry: insights from numerical simulations, from large-scale curvature to small-scale fractal roughness

NASA Astrophysics Data System (ADS)

Ulrich, T.; Gabriel, A. A.

2016-12-01

The geometry of faults is subject to a large degree of uncertainty. As buried structures being not directly observable, their complex shapes may only be inferred from surface traces, if available, or through geophysical methods, such as reflection seismology. As a consequence, most studies aiming at assessing the potential hazard of faults rely on idealized fault models, based on observable large-scale features. Yet, real faults are known to be wavy at all scales, their geometric features presenting similar statistical properties from the micro to the regional scale. The influence of roughness on the earthquake rupture process is currently a driving topic in the computational seismology community. From the numerical point of view, rough faults problems are challenging problems that require optimized codes able to run efficiently on high-performance computing infrastructure and simultaneously handle complex geometries. Physically, simulated ruptures hosted by rough faults appear to be much closer to source models inverted from observation in terms of complexity. Incorporating fault geometry on all scales may thus be crucial to model realistic earthquake source processes and to estimate more accurately seismic hazard. In this study, we use the software package SeisSol, based on an ADER-Discontinuous Galerkin scheme, to run our numerical simulations. SeisSol allows solving the spontaneous dynamic earthquake rupture problem and the wave propagation problem with high-order accuracy in space and time efficiently on large-scale machines. In this study, the influence of fault roughness on dynamic rupture style (e.g. onset of supershear transition, rupture front coherence, propagation of self-healing pulses, etc) at different length scales is investigated by analyzing ruptures on faults of varying roughness spectral content. In particular, we investigate the existence of a minimum roughness length scale in terms of rupture inherent length scales below which the rupture ceases to be sensible. Finally, the effect of fault geometry on ground-motions, in the near-field, is considered. Our simulations feature a classical linear slip weakening on the fault and a viscoplastic constitutive model off the fault. The benefits of using a more elaborate fast velocity-weakening friction law will also be considered.

Surface complexation and precipitate geometry for aqueous Zn(II) sorption on ferrihydrite: II. XANES analysis and simulation

USGS Publications Warehouse

Waychunas, G.A.; Fuller, C.C.; Davis, J.A.; Rehr, J.J.

2003-01-01

X-ray absorption near-edge spectroscopy (XANES) analysis of sorption complexes has the advantages of high sensitivity (10- to 20-fold greater than extended X-ray absorption fine structure [EXAFS] analysis) and relative ease and speed of data collection (because of the short k-space range). It is thus a potentially powerful tool for characterization of environmentally significant surface complexes and precipitates at very low surface coverages. However, quantitative analysis has been limited largely to "fingerprint" comparison with model spectra because of the difficulty of obtaining accurate multiple-scattering amplitudes for small clusters with high confidence. In the present work, calculations of the XANES for 50- to 200-atom clusters of structure from Zn model compounds using the full multiple-scattering code Feff 8.0 accurately replicate experimental spectra and display features characteristic of specific first-neighbor anion coordination geometry and second-neighbor cation geometry and number. Analogous calculations of the XANES for small molecular clusters indicative of precipitation and sorption geometries for aqueous Zn on ferrihydrite, and suggested by EXAFS analysis, are in good agreement with observed spectral trends with sample composition, with Zn-oxygen coordination and with changes in second-neighbor cation coordination as a function of sorption coverage. Empirical analysis of experimental XANES features further verifies the validity of the calculations. The findings agree well with a complete EXAFS analysis previously reported for the same sample set, namely, that octahedrally coordinated aqueous Zn2+ species sorb as a tetrahedral complex on ferrihydrite with varying local geometry depending on sorption density. At significantly higher densities but below those at which Zn hydroxide is expected to precipitate, a mainly octahedral coordinated Zn2+ precipitate is observed. An analysis of the multiple scattering paths contributing to the XANES demonstrates the importance of scattering paths involving the anion sublattice. We also describe the specific advantages of complementary quantitative XANES and EXAFS analysis and estimate limits on the extent of structural information obtainable from XANES analysis. ?? 2003 Elsevier Science Ltd.

Unfitted Two-Phase Flow Simulations in Pore-Geometries with Accurate

NASA Astrophysics Data System (ADS)

Heimann, Felix; Engwer, Christian; Ippisch, Olaf; Bastian, Peter

2013-04-01

The development of better macro scale models for multi-phase flow in porous media is still impeded by the lack of suitable methods for the simulation of such flow regimes on the pore scale. The highly complicated geometry of natural porous media imposes requirements with regard to stability and computational efficiency which current numerical methods fail to meet. Therefore, current simulation environments are still unable to provide a thorough understanding of porous media in multi-phase regimes and still fail to reproduce well known effects like hysteresis or the more peculiar dynamics of the capillary fringe with satisfying accuracy. Although flow simulations in pore geometries were initially the domain of Lattice-Boltzmann and other particle methods, the development of Galerkin methods for such applications is important as they complement the range of feasible flow and parameter regimes. In the recent past, it has been shown that unfitted Galerkin methods can be applied efficiently to topologically demanding geometries. However, in the context of two-phase flows, the interface of the two immiscible fluids effectively separates the domain in two sub-domains. The exact representation of such setups with multiple independent and time depending geometries exceeds the functionality of common unfitted methods. We present a new approach to pore scale simulations with an unfitted discontinuous Galerkin (UDG) method. Utilizing a recursive sub-triangulation algorithm, we extent the UDG method to setups with multiple independent geometries. This approach allows an accurate representation of the moving contact line and the interface conditions, i.e. the pressure jump across the interface. Example simulations in two and three dimensions illustrate and verify the stability and accuracy of this approach.

Move-by-move dynamics of the advantage in chess matches reveals population-level learning of the game.

PubMed

Ribeiro, Haroldo V; Mendes, Renio S; Lenzi, Ervin K; del Castillo-Mussot, Marcelo; Amaral, Luís A N

2013-01-01

The complexity of chess matches has attracted broad interest since its invention. This complexity and the availability of large number of recorded matches make chess an ideal model systems for the study of population-level learning of a complex system. We systematically investigate the move-by-move dynamics of the white player's advantage from over seventy thousand high level chess matches spanning over 150 years. We find that the average advantage of the white player is positive and that it has been increasing over time. Currently, the average advantage of the white player is 0.17 pawns but it is exponentially approaching a value of 0.23 pawns with a characteristic time scale of 67 years. We also study the diffusion of the move dependence of the white player's advantage and find that it is non-Gaussian, has long-ranged anti-correlations and that after an initial period with no diffusion it becomes super-diffusive. We find that the duration of the non-diffusive period, corresponding to the opening stage of a match, is increasing in length and exponentially approaching a value of 15.6 moves with a characteristic time scale of 130 years. We interpret these two trends as a resulting from learning of the features of the game. Additionally, we find that the exponent [Formula: see text] characterizing the super-diffusive regime is increasing toward a value of 1.9, close to the ballistic regime. We suggest that this trend is due to the increased broadening of the range of abilities of chess players participating in major tournaments.

Move-by-Move Dynamics of the Advantage in Chess Matches Reveals Population-Level Learning of the Game

PubMed Central

Ribeiro, Haroldo V.; Mendes, Renio S.; Lenzi, Ervin K.; del Castillo-Mussot, Marcelo; Amaral, Luís A. N.

2013-01-01

The complexity of chess matches has attracted broad interest since its invention. This complexity and the availability of large number of recorded matches make chess an ideal model systems for the study of population-level learning of a complex system. We systematically investigate the move-by-move dynamics of the white player’s advantage from over seventy thousand high level chess matches spanning over 150 years. We find that the average advantage of the white player is positive and that it has been increasing over time. Currently, the average advantage of the white player is 0.17 pawns but it is exponentially approaching a value of 0.23 pawns with a characteristic time scale of 67 years. We also study the diffusion of the move dependence of the white player’s advantage and find that it is non-Gaussian, has long-ranged anti-correlations and that after an initial period with no diffusion it becomes super-diffusive. We find that the duration of the non-diffusive period, corresponding to the opening stage of a match, is increasing in length and exponentially approaching a value of 15.6 moves with a characteristic time scale of 130 years. We interpret these two trends as a resulting from learning of the features of the game. Additionally, we find that the exponent characterizing the super-diffusive regime is increasing toward a value of 1.9, close to the ballistic regime. We suggest that this trend is due to the increased broadening of the range of abilities of chess players participating in major tournaments. PMID:23382876

Equilibrium between Different Coordination Geometries in Oxidovanadium(IV) Complexes

ERIC Educational Resources Information Center

Ugone, Valeria; Garribba, Eugenio; Micera, Giovanni; Sanna, Daniele

2015-01-01

In this laboratory activity, the equilibrium between square pyramidal and octahedral V(IV)O[superscript 2+] complexes is described. We propose a set of experiments to synthesize and characterize two types of V(IV)O[superscript 2+] complexes. The experiment allows great flexibility and may be effectively used at a variety of levels and the activity…

Deep-turbulence wavefront sensing using digital holography in the on-axis phase shifting recording geometry

NASA Astrophysics Data System (ADS)

Thornton, Douglas E.; Spencer, Mark F.; Perram, Glen P.

2017-09-01

The effects of deep turbulence in long-range imaging applications presents unique challenges to properly measure and correct for aberrations incurred along the atmospheric path. In practice, digital holography can detect the path-integrated wavefront distortions caused by deep turbulence, and di erent recording geometries offer different benefits depending on the application of interest. Previous studies have evaluated the performance of the off-axis image and pupil plane recording geometries for deep-turbulence sensing. This study models digital holography in the on-axis phase shifting recording geometry using wave optics simulations. In particular, the analysis models spherical-wave propagation through varying deep-turbulence conditions to estimate the complex optical field, and performance is evaluated by calculating the field-estimated Strehl ratio and RMS wavefront error. Altogether, the results show that digital holography in the on-axis phase shifting recording geometry is an effective wavefront-sensing method in the presence of deep turbulence.

A conservation and biophysics guided stochastic approach to refining docked multimeric proteins.

PubMed

Akbal-Delibas, Bahar; Haspel, Nurit

2013-01-01

We introduce a protein docking refinement method that accepts complexes consisting of any number of monomeric units. The method uses a scoring function based on a tight coupling between evolutionary conservation, geometry and physico-chemical interactions. Understanding the role of protein complexes in the basic biology of organisms heavily relies on the detection of protein complexes and their structures. Different computational docking methods are developed for this purpose, however, these methods are often not accurate and their results need to be further refined to improve the geometry and the energy of the resulting complexes. Also, despite the fact that complexes in nature often have more than two monomers, most docking methods focus on dimers since the computational complexity increases exponentially due to the addition of monomeric units. Our results show that the refinement scheme can efficiently handle complexes with more than two monomers by biasing the results towards complexes with native interactions, filtering out false positive results. Our refined complexes have better IRMSDs with respect to the known complexes and lower energies than those initial docked structures. Evolutionary conservation information allows us to bias our results towards possible functional interfaces, and the probabilistic selection scheme helps us to escape local energy minima. We aim to incorporate our refinement method in a larger framework which also enables docking of multimeric complexes given only monomeric structures.

SMART Structures User's Guide - Version 3.0

NASA Technical Reports Server (NTRS)

Spangler, Jan L.

1996-01-01

Version 3.0 of the Solid Modeling Aerospace Research Tool (SMART Structures) is used to generate structural models for conceptual and preliminary-level aerospace designs. Features include the generation of structural elements for wings and fuselages, the integration of wing and fuselage structural assemblies, and the integration of fuselage and tail structural assemblies. The highly interactive nature of this software allows the structural engineer to move quickly from a geometry that defines a vehicle's external shape to one that has both external components and internal components which may include ribs, spars, longerons, variable depth ringframes, a floor, a keel, and fuel tanks. The geometry that is output is consistent with FEA requirements and includes integrated wing and empennage carry-through and frame attachments. This report provides a comprehensive description of SMART Structures and how to use it.

Improving the performance of galloping micro-power generators by passively manipulating the trailing edge

NASA Astrophysics Data System (ADS)

Noel, J.; Yadav, R.; Li, G.; Daqaq, M. F.

2018-02-01

Recent trends in distributed sensing networks have generated significant interest in the design of scalable micro-power generators. One such device exploits the galloping oscillations of a prism to harness energy from a moving fluid. Performance of galloping harvester's depends on the flow patterns around the prism, which, in turn, depend on its geometry and the Reynolds number of the flow. In this letter, we demonstrate that the useful range of the galloping instability can be extended by attaching a rigid splitter plate to the rear face of the prism. The plate provides a secondary flow reattachment point, which serves to improve the oscillation amplitude and power output of the generator. Experimental results demonstrate as much as 67% power enhancement for some prism geometries and a significant reduction in the cut-in wind speed of the generator.

Probing heat transfer, fluid flow and microstructural evolution during fusion welding of alloys

NASA Astrophysics Data System (ADS)

Zhang, Wei

The composition, geometry, structure and properties of the welded joints are affected by the various physical processes that take place during fusion welding. Understanding these processes has been an important goal in the contemporary welding research to achieve structurally sound and reliable welds. In the present thesis research, several important physical processes including the heat transfer, fluid flow and microstructural evolution in fusion welding were modeled based on the fundamentals of transport phenomena and phase transformation theory. The heat transfer and fluid flow calculation is focused on the predictions of the liquid metal convection in the weld pool, the temperature distribution in the entire weldment, and the shape and size of the fusion zone (FZ) and heat affected zone (HAZ). The modeling of microstructural evolution is focused on the quantitative understanding of phase transformation kinetics during welding of several important alloys under both low and high heating and cooling conditions. Three numerical models were developed in the present thesis work: (1) a three-dimensional heat transfer and free surface flow model for the gas metal arc (GMA) fillet welding considering the complex weld joint geometry, (2) a phase transformation model based on the Johnson-Mehl-Avrami (JMA) theory, and (3) a one-dimensional numerical diffusion model considering multiple moving interfaces. To check the capabilities of the developed models, several cases were investigated, in which the predictions from the models were compared with the experimental results. The cases studied are the follows. For the modeling of heat transfer and fluid flow, the welding processes studied included gas tungsten arc (GTA) linear welding, GTA transient spot welding, and GMA fillet welding. The calculated weldment geometry and thermal cycles was validated against the experimental data under various welding conditions. For the modeling of microstructural evolution, the welded materials investigated included AISI 1005 low-carbon steel, 1045 medium-carbon steel, 2205 duplex stainless steel (DSS) and Ti-6Al-4V alloy. The calculated phase transformation kinetics were compared with the experimental results obtained using an x-ray diffraction technique by Dr. John W. Elmer of Lawrence Livermore National Laboratory. (Abstract shortened by UMI.)

Influence of Pre-Existing Structure on Sill Geometry in the San Rafael Volcanic Field, Central Utah

NASA Astrophysics Data System (ADS)

Ferwerda, B.; Wetmore, P. H.; Connor, C.; Kruse, S. E.; Kiyosugi, K.; Kiflu, H. G.

2011-12-01

Sills have been hypothesized to be formed at rigidity contrasts between layers or at the level of neutral buoyancy of the intruding magma body. Recent field observations of sills in the San Rafael Volcanic Field (SRVF) in central Utah conflict with both of these hypotheses, suggesting that something else may control the distribution of sills in the crust. This study examines the role pre-existing structure plays in determining the distribution and geometry of sills in the SRVF. Primarily, sills will be thickest in the hinge zone of synclines and thinnest towards the limbs. The SRVF consists of a series of dikes, conduits and sills intruded into the J-Kr strata of the western Colorado Plateau. The structure of the SRVF consists of a series of broad wavelength folds truncated by a major thrust fault as determined by a gravity profile across structure. There are several sill complexes in the area whose geometry and relationships with the host rock are unaccounted for by these hypotheses. At large scale, sills follow structural trends in the host rock. Sills are either oriented with regional dips, or follow the trends of folds in the area. One sill, in particular, intruded into a syncline and thins towards the limb of the fold. However, sills behave differently at smaller spatial scales. The smaller scale behavior is incongruent with sills forming at rigidity contrasts or at the level of neutral buoyancy. First, sills form tiered structures intruding at multiple stratigraphic levels within the field area, and in limited geographic extent. Geophysical surveys confirm tiered sill structures in the subsurface. Individual sills also change stratigraphic levels, sometimes, very abruptly, moving vertically up to 30 meters in short horizontal distances. Sills also form networks in anastomosing structures that cut across stratigraphy at varying angles. These observations suggest that neither the level of neutral buoyancy nor the rigidity contrasts between layers play a role in determining the distribution of sills in the crust. Broadly, sills follow pre-existing structure, but at smaller scales, sills behave drastically different, with little regard to bedding planes.

A Generic Microdisturbanace Transmissibility Model For Reaction Wheels

NASA Astrophysics Data System (ADS)

Penate Castro, Jose; Seiler, Rene

2012-07-01

The increasing demand for space missions with high- precision pointing requirements for their payload instruments is underlining the importance of studying the impact of micro-level disturbances on the overall performance of spacecraft. For example, a satellite with an optical telescope taking high-resolution images might be very sensitive to perturbations, generated by moving equipment and amplified by the structure of the equipment itself as well as that of the host spacecraft that is accommodating both, the sources of mechanical disturbances and sensitive payload instruments. One of the major sources of mechanical disturbances inside a satellite may be found with reaction wheels. For investigation of their disturbance generation and propagation characteristics, a finite element model with parametric geometry definition has been developed. The model covers the main structural features of typical reaction wheel assemblies and can be used for a transmissibility representation of the equipment. With the parametric geometry definition approach, a wide range of different reaction wheel types and sizes can be analysed, without the need for (re-)defining an individual reaction wheel configuration from scratch. The reaction wheel model can be combined with a finite element model of the spacecraft structure and the payload for an end-to-end modelling and simulation of the microdisturbance generation and propagation. The finite element model has been generated in Patran® Command Language (PCL), which provides a powerful and time-efficient way to change parameters in the model, for creating a new or modifying an existing geometry, without requiring comprehensive manual interactions in the modelling pre-processor. As part of the overall modelling approach, a tailored structural model of the mechanical ball bearings has been implemented, which is one of the more complex problems to deal with, among others, due to the anisotropic stiffness and damping characteristics. Together, with the time and frequency domain representations of the local sources of the disturbance forces and moments (e.g. due to rotor unbalance), the new model enables adequate estimation of the disturbances at the mechanical interface of a reaction wheel with a transmissibility representation, furthermore the analysis of their propagation in a host structure and their effects on a payload item.

Automatic visualization of 3D geometry contained in online databases

NASA Astrophysics Data System (ADS)

Zhang, Jie; John, Nigel W.

2003-04-01

In this paper, the application of the Virtual Reality Modeling Language (VRML) for efficient database visualization is analyzed. With the help of JAVA programming, three examples of automatic visualization from a database containing 3-D Geometry are given. The first example is used to create basic geometries. The second example is used to create cylinders with a defined start point and end point. The third example is used to processs data from an old copper mine complex in Cheshire, United Kingdom. Interactive 3-D visualization of all geometric data in an online database is achieved with JSP technology.

IPMC-driven thrust generation: a new conceptual design (Conference Presentation)

NASA Astrophysics Data System (ADS)

Olsen, Zakai; Kim, Kwang Jin

2017-04-01

Ionic Polymer-Metal Composites (IPMC) are highly functional actuators that find many uses in the field of soft robotics due to their low actuation voltage and ability to operate in aquatic environments. The actuation of an IPMC relies on the swelling of the negatively charged side when a potential is applied, due to the free-moving cations and water molecules migrating to that half. While this bending type actuation can be utilized to perform many tasks, it is ill suited for the primary propulsion mechanism in certain soft robotic applications. Here, a new conceptual design is presented which utilizes the bending of IPMC materials to achieve complex actuation motion in an attempt to generate a non-zero net thrust for propulsion of soft robots. The design capitalizes on advances in the manufacturing processes of electroactive polymer materials, which now allow for more complex shapes and thus new and unique modes of actuation. By utilizing the consistent bending deformation of IPMC actuators, in conjunction with carefully considered geometry, an IPMC driven body may serve as a primary mode of propulsion through a positive net thrust generation. This work consists of the initial feasibility study, concept testing, and optimization for such an actuator through computer modeling and simulation. COMSOL will be used for the finite element analysis to design the most efficient and optimized design for a positive net thrust generation. Such an IPMC design may find a great deal of applications, and the potential of future integration into other soft robotic systems is considered.

Experimental investigation of piercing of high-strength steels within a critical range of slant angle

NASA Astrophysics Data System (ADS)

Senn, S.; Liewald, M.

2017-09-01

Deep drawn parts often do have complex designs and, therefore, must be trimmed or punched subsequently in a second stage. Due to the complex part geometry, most punching areas do reveal critical slant angle (angle between part surface and ram movement direction) different to perpendicular direction. Piercing within a critical range of slant angle may lead to severe damage of the cutting tool. Consequently, expensive cam units are required to transform the ram moving direction in order to perform the piercing process perpendicularly to the local part surface. For modern sheet metals, however, the described critical angle of attack has not been investigated adequately until now. Therefore, cam units are used in cases in which regular piercing with high slant angle wouldn’t be possible. Purpose of this study is to investigate influencing factors and their effect on punch damage during piercing of high strength steels with slant angles. Therefore, a modular shearing tool was designed, which allows to simply switch die parts to vary cutting clearance and cutting angle. The target size of the study is to measure the lateral deviation of the punch which is monitored by an eddy current sensor. The sensor is located in the downholder and measures the lateral punch deviation in-line during manufacturing. The deviation is mainly influenced by slant angle of workpiece surface. In relation to slang angle and sheet thickness the clearance has a small influence on the measured punch deflection.

(U) Influence of Compaction Model Form on Planar and Cylindrical Compaction Geometries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fredenburg, David A.; Carney, Theodore Clayton; Fichtl, Christopher Allen

The dynamic compaction response of CeO 2 is examined within the frameworks of the Ramp and P-a compaction models. Hydrocode calculations simulating the dynamic response of CeO 2 at several distinct pressures within the compaction region are investigated in both planar and cylindrically convergent geometries. Findings suggest additional validation of the compaction models is warranted under complex loading configurations.

Synthesis, crystal structure and spectroscopic and electrochemical properties of bridged trisbenzoato copper-zinc heterobinuclear complex of 2,2‧-bipyridine

NASA Astrophysics Data System (ADS)

Koch, Angira; Kumar, Arvind; Singh, Suryabhan; Borthakur, Rosmita; Basumatary, Debajani; Lal, Ram A.; Shangpung, Sankey

2015-03-01

The synthesis of the heterobinuclear copper-zinc complex [CuZn(bz)3(bpy)2]ClO4 (bz = benzoate) from benzoic acid and bipyridine is described. Single crystal X-ray diffraction studies of the heterobinuclear complex reveals the geometry of the benzoato bridged Cu(II)-Zn(II) centre. The copper or zinc atom is pentacoordinate, with two oxygen atoms from bridging benzoato groups and two nitrogen atoms from one bipyridine forming an approximate plane and a bridging oxygen atom from a monodentate benzoate group. The Cu-Zn distance is 3.345 Å. The complex is normal paramagnetic having μeff value equal to 1.75 BM, ruling out the possibility of Cu-Cu interaction in the structural unit. The ESR spectrum of the complex in CH3CN at RT exhibit an isotropic four line spectrum centred at g = 2.142 and hyperfine coupling constants Aav = 63 × 10-4 cm-1, characteristic of a mononuclear square-pyramidal copper(II) complexes. At LNT, the complex shows an isotropic spectrum with g|| = 2.254 and g⊥ = 2.071 and A|| = 160 × 10-4 cm-1. The Hamiltonian parameters are characteristic of distorted square pyramidal geometry. Cyclic voltammetric studies of the complex have indicated quasi-reversible behaviour in acetonitrile solution.

Mononuclear thiocyanate containing nickel(II) and binuclear azido bridged nickel(II) complexes of N4-coordinate pyrazole based ligand: Syntheses, structures and magnetic properties

NASA Astrophysics Data System (ADS)

Solanki, Ankita; Monfort, Montserrat; Kumar, Sujit Baran

2013-10-01

Two mononuclear nickel(II) complexes [NiL1(NCS)2] (1) and [NiL2(NCS)2] (2) and two azido bridged binuclear nickel(II) complexes [Ni(()2()2] (3) and [Ni(()2()2] (4), where L1, L2, L1‧ and L2‧ are N,N-diethyl-N‧,N‧-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)ethane-1,2-diamine (L1), N,N-bis((1H-pyrazol-1-yl)methyl)-N‧,N‧-diethylethane-1,2-diamine (L2), N,N-diethyl-N‧-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)ethane-1,2-diamine (L1‧) and N-((1H-pyrazol-1-yl)methyl)-N‧,N‧-diethylethane-1,2-diamine (L2‧) have been synthesized and characterized by microanalyses and physico-chemical methods. Single crystal X-ray diffraction analyses revealed that complexes 1 and 2 are mononuclear NCS- containing Ni(II) complex with octahedral geometry and complexes 3 and 4 are end-on (μ-1,1) azido bridged binuclear Ni(II) complexes with distorted octahedral geometry. Variable temperature magnetic studies of the complexes 3 and 4 display ferromagnetic interaction with J values 19 and 32 cm-1, respectively.

Improved Modeling of Structural Joint Damping

DTIC Science & Technology

1986-12-01

fourth order beam equation. Griffel has tabulated the results for a number of beam loading geometries and, as seen in Figure 2-11, has plotted the shear... Griffel . Having the solution to the built-in beam symmetric case we can now move on to the development of the Boundary Element theory. 2.3 indirect...December 1985. 9. Greenwood, D. T., Principle? &t PY"affllC3/ New Jersey, Prentice-Hall, Inc., 1965. 10. Griffel , William, Beam Formulas. New York

Image-guided tissue engineering of anatomically shaped implants via MRI and micro-CT using injection molding.

PubMed

Ballyns, Jeffery J; Gleghorn, Jason P; Niebrzydowski, Vicki; Rawlinson, Jeremy J; Potter, Hollis G; Maher, Suzanne A; Wright, Timothy M; Bonassar, Lawrence J

2008-07-01

This study demonstrates for the first time the development of engineered tissues based on anatomic geometries derived from widely used medical imaging modalities such as computed tomography (CT) and magnetic resonance imaging (MRI). Computer-aided design and tissue injection molding techniques have demonstrated the ability to generate living implants of complex geometry. Due to its complex geometry, the meniscus of the knee was used as an example of this technique's capabilities. MRI and microcomputed tomography (microCT) were used to design custom-printed molds that enabled the generation of anatomically shaped constructs that retained shape throughout 8 weeks of culture. Engineered constructs showed progressive tissue formation indicated by increases in extracellular matrix content and mechanical properties. The paradigm of interfacing tissue injection molding technology can be applied to other medical imaging techniques that render 3D models of anatomy, demonstrating the potential to apply the current technique to engineering of many tissues and organs.

Characterization of new functionalized calcium carbonate-polycaprolactone composite material for application in geometry-constrained drug release formulation development.

PubMed

Wagner-Hattler, Leonie; Schoelkopf, Joachim; Huwyler, Jörg; Puchkov, Maxim

2017-10-01

A new mineral-polymer composite (FCC-PCL) performance was assessed to produce complex geometries to aid in development of controlled release tablet formulations. The mechanical characteristics of a developed material such as compactibility, compressibility and elastoplastic deformation were measured. The results and comparative analysis versus other common excipients suggest efficient formation of a complex, stable and impermeable geometries for constrained drug release modifications under compression. The performance of the proposed composite material has been tested by compacting it into a geometrically altered tablet (Tablet-In-Cup, TIC) and the drug release was compared to commercially available product. The TIC device exhibited a uniform surface, showed high physical stability, and showed absence of friability. FCC-PCL composite had good binding properties and good compactibility. It was possible to reveal an enhanced plasticity characteristic of a new material which was not present in the individual components. The presented FCC-PCL composite mixture has the potential to become a successful tool to formulate controlled-release dosage solid forms.

Definition of NASTRAN sets by use of parametric geometry

NASA Technical Reports Server (NTRS)

Baughn, Terry V.; Tiv, Mehran

1989-01-01

Many finite element preprocessors describe finite element model geometry with points, lines, surfaces and volumes. One method for describing these basic geometric entities is by use of parametric cubics which are useful for representing complex shapes. The lines, surfaces and volumes may be discretized for follow on finite element analysis. The ability to limit or selectively recover results from the finite element model is extremely important to the analyst. Equally important is the ability to easily apply boundary conditions. Although graphical preprocessors have made these tasks easier, model complexity may not lend itself to easily identify a group of grid points desired for data recovery or application of constraints. A methodology is presented which makes use of the assignment of grid point locations in parametric coordinates. The parametric coordinates provide a convenient ordering of the grid point locations and a method for retrieving the grid point ID's from the parent geometry. The selected grid points may then be used for the generation of the appropriate set and constraint cards.

Study on the wiping gas jet in continuous galvanizing line

NASA Astrophysics Data System (ADS)

Kweon, Yong-Hun; Kim, Heuy-Dong

2011-09-01

In the continuous hot-dip galvanizing process, the gas-jet wiping is used to control the coating thickness of moving steel strip. The high speed gas-jet discharged from the nozzle slot impinges on the strip, and at this moment, wipes the liquid coating layer dragged by a moving strip. The coating thickness is generally influenced on the flow characteristics of wiping gas-jet such as the impinging pressure distribution, pressure gradient and shear stress distribution on the surface of strip. The flow characteristics of wiping gas-jet mentioned above depends upon considerably both the process operating conditions such as the nozzle pressure, nozzle-to-strip distance and line speed, and the geometry of gas-jet wiping apparatus such as the height of nozzle slot. In the present study, the effect of the geometry of nozzle on the coating thickness is investigated with the help of a computational fluid dynamics method. The height of nozzle slot is varied in the range of 0.6mm to 1.7mm. A finite volume method (FVM) is employed to solve two-dimensional, steady, compressible Navier-Stokes equations. Based upon the results obtained, the effect of the height of nozzle slot in the gas-jet wiping process is discussed in detail. The computational results show that for a given standoff distance between the nozzle to the strip, the effective height of nozzle slot exists in achieving thinner coating thickness.

The Influence of Dynamic Contact Angle on Wetting Dynamics

NASA Technical Reports Server (NTRS)

Rame, Enrique; Garoff, Steven

2005-01-01

When surface tension forces dominate, and regardless of whether the situation is static or dynamic, the contact angle (the angle the interface between two immiscible fluids makes when it contacts a solid) is the key parameter that determines the shape of a fluid-fluid interface. The static contact angle is easy to measure and implement in models predicting static capillary surface shapes and such associated quantities as pressure drops. By contrast, when the interface moves relative to the solid (as in dynamic wetting processes) the dynamic contact angle is not identified unambiguously because it depends on the geometry of the system Consequently, its determination becomes problematic and measurements in one geometry cannot be applied in another for prediction purposes. However, knowing how to measure and use the dynamic contact angle is crucial to determine such dynamics as a microsystem throughput reliably. In this talk we will present experimental and analytical efforts aimed at resolving modeling issues present in dynamic wetting. We will review experiments that show the inadequacy of the usual hydrodynamic model when a fluid-fluid meniscus moves over a solid surface such as the wall of a small tube or duct. We will then present analytical results that show how to parametrize these problems in a predictive manner. We will illustrate these ideas by showing how to implement the method in numerical fluid mechanical calculations.

Interfacial gauge methods for incompressible fluid dynamics

DOE PAGES

Saye, R.

2016-06-10

Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of "gauge freedom" to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work,more » high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena.« less

THE BALMER-DOMINATED BOW SHOCK AND WIND NEBULA STRUCTURE OF {gamma}-RAY PULSAR PSR J1741-2054

DOE Office of Scientific and Technical Information (OSTI.GOV)

Romani, Roger W.; Shaw, Michael S.; Camilo, Fernando

2010-12-01

We have detected an H{alpha} bow shock nebula around PSR J1741-2054, a pulsar discovered through its GeV {gamma}-ray pulsations. The pulsar is only {approx}1.''5 behind the leading edge of the shock. Optical spectroscopy shows that the nebula is non-radiative, dominated by Balmer emission. The H{alpha} images and spectra suggest that the pulsar wind momentum is equatorially concentrated and implies a pulsar space velocity {approx}150 km s{sup -1}, directed 15{sup 0} {+-} 10{sup 0} out of the plane of the sky. The complex H{alpha} profile indicates that different portions of the post-shock flow dominate line emission as gas moves along themore » nebula and provide an opportunity to study the structure of this unusual slow non-radiative shock under a variety of conditions. CXO ACIS observations reveal an X-ray pulsar wind nebula within this nebula, with a compact {approx}2.''5 equatorial structure and a trail extending several arcminutes behind. Together these data support a close ({<=}0.5 kpc) distance, a spin geometry viewed edge-on, and highly efficient {gamma}-ray production for this unusual, energetic pulsar.« less

A study on the theoretical and practical accuracy of conoscopic holography-based surface measurements: toward image registration in minimally invasive surgery†

PubMed Central

Burgner, J.; Simpson, A. L.; Fitzpatrick, J. M.; Lathrop, R. A.; Herrell, S. D.; Miga, M. I.; Webster, R. J.

2013-01-01

Background Registered medical images can assist with surgical navigation and enable image-guided therapy delivery. In soft tissues, surface-based registration is often used and can be facilitated by laser surface scanning. Tracked conoscopic holography (which provides distance measurements) has been recently proposed as a minimally invasive way to obtain surface scans. Moving this technique from concept to clinical use requires a rigorous accuracy evaluation, which is the purpose of our paper. Methods We adapt recent non-homogeneous and anisotropic point-based registration results to provide a theoretical framework for predicting the accuracy of tracked distance measurement systems. Experiments are conducted a complex objects of defined geometry, an anthropomorphic kidney phantom and a human cadaver kidney. Results Experiments agree with model predictions, producing point RMS errors consistently < 1 mm, surface-based registration with mean closest point error < 1 mm in the phantom and a RMS target registration error of 0.8 mm in the human cadaver kidney. Conclusions Tracked conoscopic holography is clinically viable; it enables minimally invasive surface scan accuracy comparable to current clinical methods that require open surgery. PMID:22761086

The hidden hyperbolic geometry of international trade: World Trade Atlas 1870-2013.

PubMed

García-Pérez, Guillermo; Boguñá, Marián; Allard, Antoine; Serrano, M Ángeles

2016-09-16

Here, we present the World Trade Atlas 1870-2013, a collection of annual world trade maps in which distance combines economic size and the different dimensions that affect international trade beyond mere geography. Trade distances, based on a gravity model predicting the existence of significant trade channels, are such that the closer countries are in trade space, the greater their chance of becoming connected. The atlas provides us with information regarding the long-term evolution of the international trade system and demonstrates that, in terms of trade, the world is not flat but hyperbolic, as a reflection of its complex architecture. The departure from flatness has been increasing since World War I, meaning that differences in trade distances are growing and trade networks are becoming more hierarchical. Smaller-scale economies are moving away from other countries except for the largest economies; meanwhile those large economies are increasing their chances of becoming connected worldwide. At the same time, Preferential Trade Agreements do not fit in perfectly with natural communities within the trade space and have not necessarily reduced internal trade barriers. We discuss an interpretation in terms of globalization, hierarchization, and localization; three simultaneous forces that shape the international trade system.

Foreword: Additive Manufacturing: Interrelationships of Fabrication, Constitutive Relationships Targeting Performance, and Feedback to Process Control

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carpenter, John S.; Beese, Allison M.; Bourell, David L.

Additive manufacturing (AM) offers distinct advantages over conventional manufacturing processes including the capability to both build and repair complex part shapes; to integrate and consolidate parts and thus overcome joining concerns; and to locally tailor material compositions as well as properties. Moreover, a variety of fields such as aerospace, military, automotive, and biomedical are employing this manufacturing technique as a way to decrease costs, increase manufacturing agility, and explore novel geometry/functionalities. In order to increase acceptance of AM as a viable processing method, pathways for qualifying both the material and the process need to be developed and, perhaps, standardized. Thismore » symposium was designed to serve as a venue for the international AM community—including government, academia, and industry—to define the fundamental interrelationships between feedstock, processing, microstructure, shape, mechanical behavior/materials properties, and function/performance. Eventually, insight into the connections between processing, microstructure, property, and performance will be achieved through experimental observations, theoretical advances, and computational modeling of physical processes. Finally, once this insight matures, AM will be able to move from the realm of making parts to making qualified materials that are certified for use with minimal need for post-fabrication characterization.« less

The hidden hyperbolic geometry of international trade: World Trade Atlas 1870-2013

NASA Astrophysics Data System (ADS)

García-Pérez, Guillermo; Boguñá, Marián; Allard, Antoine; Serrano, M. Ángeles

2016-09-01

Here, we present the World Trade Atlas 1870-2013, a collection of annual world trade maps in which distance combines economic size and the different dimensions that affect international trade beyond mere geography. Trade distances, based on a gravity model predicting the existence of significant trade channels, are such that the closer countries are in trade space, the greater their chance of becoming connected. The atlas provides us with information regarding the long-term evolution of the international trade system and demonstrates that, in terms of trade, the world is not flat but hyperbolic, as a reflection of its complex architecture. The departure from flatness has been increasing since World War I, meaning that differences in trade distances are growing and trade networks are becoming more hierarchical. Smaller-scale economies are moving away from other countries except for the largest economies; meanwhile those large economies are increasing their chances of becoming connected worldwide. At the same time, Preferential Trade Agreements do not fit in perfectly with natural communities within the trade space and have not necessarily reduced internal trade barriers. We discuss an interpretation in terms of globalization, hierarchization, and localization; three simultaneous forces that shape the international trade system.

Simulations of reactive transport and precipitation with smoothed particle hydrodynamics

NASA Astrophysics Data System (ADS)

Tartakovsky, Alexandre M.; Meakin, Paul; Scheibe, Timothy D.; Eichler West, Rogene M.

2007-03-01

A numerical model based on smoothed particle hydrodynamics (SPH) was developed for reactive transport and mineral precipitation in fractured and porous materials. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier-Stokes flow and reactive transport including: (1) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that accurate solutions can be obtained for momentum dominated flows and; (2) complicated physical and chemical processes such as surface growth due to precipitation/dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid-fluid boundaries was compared with analytical solutions, Lattice Boltzmann [Q. Kang, D. Zhang, P. Lichtner, I. Tsimpanogiannis, Lattice Boltzmann model for crystal growth from supersaturated solution, Geophysical Research Letters, 31 (2004) L21604] simulations and diffusion limited aggregation (DLA) [P. Meakin, Fractals, scaling and far from equilibrium. Cambridge University Press, Cambridge, UK, 1998] model simulations. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with a complex geometry were simulated.