GENIE(++): A Multi-Block Structured Grid System

NASA Technical Reports Server (NTRS)

Williams, Tonya; Nadenthiran, Naren; Thornburg, Hugh; Soni, Bharat K.

1996-01-01

The computer code GENIE++ is a continuously evolving grid system containing a multitude of proven geometry/grid techniques. The generation process in GENIE++ is based on an earlier version. The process uses several techniques either separately or in combination to quickly and economically generate sculptured geometry descriptions and grids for arbitrary geometries. The computational mesh is formed by using an appropriate algebraic method. Grid clustering is accomplished with either exponential or hyperbolic tangent routines which allow the user to specify a desired point distribution. Grid smoothing can be accomplished by using an elliptic solver with proper forcing functions. B-spline and Non-Uniform Rational B-splines (NURBS) algorithms are used for surface definition and redistribution. The built in sculptured geometry definition with desired distribution of points, automatic Bezier curve/surface generation for interior boundaries/surfaces, and surface redistribution is based on NURBS. Weighted Lagrance/Hermite transfinite interpolation methods, interactive geometry/grid manipulation modules, and on-line graphical visualization of the generation process are salient features of this system which result in a significant time savings for a given geometry/grid application.

Secondary electron emission from textured surfaces

NASA Astrophysics Data System (ADS)

Huerta, C. E.; Patino, M. I.; Wirz, R. E.

2018-04-01

In this work, a Monte Carlo model is used to investigate electron induced secondary electron emission for varying effects of complex surfaces by using simple geometric constructs. Geometries used in the model include: vertical fibers for velvet-like surfaces, tapered pillars for carpet-like surfaces, and a cage-like configuration of interlaced horizontal and vertical fibers for nano-structured fuzz. The model accurately captures the secondary electron emission yield dependence on incidence angle. The model shows that unlike other structured surfaces previously studied, tungsten fuzz exhibits secondary electron emission yield that is independent of primary electron incidence angle, due to the prevalence of horizontally-oriented fibers in the fuzz geometry. This is confirmed with new data presented herein of the secondary electron emission yield of tungsten fuzz at incidence angles from 0-60°.

Laser-induced periodic annular surface structures on fused silica surface

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

Liu, Yi; Brelet, Yohann; Forestier, Benjamin

2013-06-24

We report on the formation of laser-induced periodic annular surface structures on fused silica irradiated with multiple femtosecond laser pulses. This surface morphology emerges after the disappearance of the conventional laser induced periodic surface structures, under successive laser pulse irradiation. It is independent of the laser polarization and universally observed for different focusing geometries. We interpret its formation in terms of the interference between the reflected laser field on the surface of the damage crater and the incident laser pulse.

‘Action’ on structured freeform surfaces

NASA Astrophysics Data System (ADS)

Whitehouse, David J.

2018-06-01

Surfaces are becoming more complex partly due to the more complicated function required of them and partly due to the introduction of different manufacturing processes. These have thrown into relief the need to consider new ways of measuring and characterizing such surfaces and more importantly to make such characterization more relevant by tying together the geometry and the function more closely. The surfaces which have freeform and structure have been chosen to be a carrier for this investigation because so far there has been little work carried out in this neglected but potentially important area. This necessitates the development of a strategy for their characterization. In this article, some ways have been found of identifying possible strategies for tackling this characterization problem but also linking this characterization to performance and manufacture, based in part on the principles of least action and on the way that nature has evolved to solve the marriage of flexible freeform geometry, structure and function. Recommendations are made for the most suitable surface parameter to use which satisfies the requirement for characterizing structured freeform surfaces as well as utilizing ‘Action’ to predict functionality.

Photocathode

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

Opachich, Yekaterina; MacPhee, Andrew

A photocathode designs that leverage the grazing incidence geometry yield improvements through the introduction of recessed structures, such as cones, pyramids, pillars or cavities to the photocathode substrate surface. Improvements in yield of up to 20 times have been shown to occur in grazing incidence geometry disclosed herein due to a larger path length of the X-ray photons which better matches the secondary electron escape depth within the photocathode material. A photocathode includes a substrate having a first side and a second side, the first side configured to receive x-ray energy and the second side opposing the first side. Amore » structured surface is associated with the second side of the substrate such that the structured surface includes a plurality of recesses from the second side of the substrate into the substrate.« less

Straining and wrinkling processes during turbulence-premixed flame interaction measured using temporally-resolved diagnostics

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

Steinberg, Adam M.; Driscoll, James F.

2009-12-15

The dynamical processes of flame surface straining and wrinkling that occur as turbulence interacts with a premixed flame were measured using cinema-stereoscopic PIV (CS-PIV) and orthogonal-plane cinema-stereoscopic PIV (OPCS-PIV). These diagnostics provided temporally resolved measurements of turbulence-flame interaction at frame rates of up to 3 kHz and spatial resolutions as small as 280{mu} m. Previous descriptions of flame straining and wrinkling have typically been derived based on a canonical interaction between a pair of counter-rotating vortices and a planar flame surface. However, it was found that this configuration did not properly represent real turbulence-flame interaction. Interactions resembling the canonical configurationmore » were observed in less than 10% of the recorded frames. Instead, straining and wrinkling were generally caused more geometrically complex turbulence, consisting of large groups of structures that could be multiply curved and intertwined. The effect of the interaction was highly dependent on the interaction geometry. Furthermore, even when the turbulence did exist in the canonical geometry, the straining and wrinkling of the flame surface were not well characterized by the vortical structures. A new mechanistic description of the turbulence-flame interaction was therefore identified and confirmed by the measurements. In this description, flame surface straining is caused by coherent structures of fluid-dynamic strain-rate (strain-rate structures). The role of vortical structures is to curve existing flame surface, creating wrinkles. By simultaneously considering both forms of turbulent structure, turbulence-flame interactions in both the canonical configuration and more complex geometries could be understood. (author)« less

Building a viable decollement geometry for the Central Nepal Himalaya through integrating surface geology, thermochronology and data from the 2015 Gorkha Earthquake

NASA Astrophysics Data System (ADS)

Ghoshal, S.; McQuarrie, N.; Robinson, D. M.; Olree, E.; Valentino, C.; Olsen, J.

2017-12-01

Recent field mapping in the Central Himalaya revealed a marked change in the location and orientation of exposed Greater Himalayan rocks around the epicenter of the April 2015 Gorkha earthquake, arguing for a lateral structure in the Main Himalayan Thrust (MHT). The earthquake provided new insight into the geometry of the MHT, but left the position and depth of the mid-crustal ramp in dispute. Combining new field data with existing thermochronometric data from the region emphasizes that both the mapped geology and young cooling ages step abruptly southward from east to west, immediately adjacent to the earthquake epicenter. The distribution of cooling ages is strongly influenced by the location of ramps in the decollement surface, as the vertical component of uplift concentrates exhumation over the ramp, producing the youngest ages there. We propose that the existence and location of frontal and lateral ramps can be evaluated using the regional distribution of thermochronometric ages. Sequentially deformed cross-sections present a model of how structurally induced uplift varies in time and space, as well as a predicted geometry of the active, modern fault. We created new balanced cross-sections, constrained by surface geology and the proposed decollement geometries. For an accurate representation of the subsurface, the geometries must reproduce cooling ages measured at the surface. Each cross section was sequentially deformed, allowing for flexure and erosion. The resulting displacement field was used to predict cooling ages for muscovite 40Ar/39Ar, zircon (U-Th)/He, and apatite fission-track, using the thermokinematic model Pecube. The different closure temperatures for these systems allow them to represent different times and locations of exhumation driven by evolving fault geometries. The modeled cooling ages are the cumulative effect of the entire deformational sequence. However, the ages are particularly sensitive to the modern active decollement fault geometry, allowing us to evaluate the different proposed cross-section geometries, and identify the best match to the regional distribution of cooling ages. We argue that this final geometry is the most accurate representation of the subsurface, being constrained by surface geology, thermochronological ages, and data from the earthquake.

Study of RF breakdown and multipacting in accelerator components

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

Pande, Manjiri; Singh, P., E-mail: manjiri@barc.gov.in, E-mail: psingh@barc.gov.in

2014-07-01

Radio frequency (RF) structures that are part of accelerators and energy sources, operate with sinusoidally varying electromagnetic fields under high RF energy. Here, RF breakdown and multipacting take place in RF structures and limit their performance. Electron field emission processes in a RF structure are precursors for breakdown processes. RF breakdown is a major phenomena affecting and causing the irreversible damage to RF structures. Breakdown rate and the damage induced by the breakdowns are its important properties. The damage is related to power absorbed during breakdown, while the breakdown rate is determined by the amplitudes of surface electric and magneticmore » fields, geometry, metal surface preparation and conditioning history. It limits working power and produces irreversible surface damage. The breakdown limit depends on the RF circuit, structure geometry, RF frequency, input RF power, pulse width, materials used, surface processing technique and surface electric and magnetic fields. Multipactor (MP) is a low power, electron multiplication based resonance breakdown phenomenon in vacuum and is often observed in RF structures. A multipactor discharge is undesirable, as it can create a reactive component that detunes the resonant cavities and components, generates noise in communication system and induces gas desorption from the conductor surfaces. In RF structures, certain conditions are required to generate multipacting. (author)« less

Spatial model of the gecko foot hair: functional significance of highly specialized non-uniform geometry.

PubMed

Filippov, Alexander E; Gorb, Stanislav N

2015-02-06

One of the important problems appearing in experimental realizations of artificial adhesives inspired by gecko foot hair is so-called clusterization. If an artificially produced structure is flexible enough to allow efficient contact with natural rough surfaces, after a few attachment-detachment cycles, the fibres of the structure tend to adhere one to another and form clusters. Normally, such clusters are much larger than original fibres and, because they are less flexible, form much worse adhesive contacts especially with the rough surfaces. Main problem here is that the forces responsible for the clusterization are the same intermolecular forces which attract fibres to fractal surface of the substrate. However, arrays of real gecko setae are much less susceptible to this problem. One of the possible reasons for this is that ends of the seta have more sophisticated non-uniformly distributed three-dimensional structure than that of existing artificial systems. In this paper, we simulated three-dimensional spatial geometry of non-uniformly distributed branches of nanofibres of the setal tip numerically, studied its attachment-detachment dynamics and discussed its advantages versus uniformly distributed geometry.

Fracture Analysis of Semi-Elliptical Surface Cracks in Ductile Materials

NASA Technical Reports Server (NTRS)

Daniewicz, S. R.; Newman, J. C., Jr.; Leach, A. M.

2004-01-01

Accurate life assessment of structural components may require advanced life prediction criteria and methodologies. Structural components often exhibit several different types of defects, among the most prevalent being surface cracks. A semi-elliptical surface crack subjected to monotonic loading will exhibit stable crack growth until the crack has reached a critical size, at which the crack loses stability and fracture ensues (Newman, 2000). The shape and geometry of the flaw are among the most influential factors. When considering simpler crack configurations, such as a through-the-thickness crack, a three-dimensional (3D) geometry may be modeled under the approximation of two-dimensional (2D) plane stress or plane strain. The more complex surface crack is typically modeled numerically with the Finite Element Method (FEM). A semi-elliptical surface crack is illustrated in Figure 1-1.

White Light Used to Enable Enhanced Surface Topography, Geometry, and Wear Characterization of Oil-Free Bearings

NASA Technical Reports Server (NTRS)

Lucero, John M.

2003-01-01

A new optically based measuring capability that characterizes surface topography, geometry, and wear has been employed by NASA Glenn Research Center s Tribology and Surface Science Branch. To characterize complex parts in more detail, we are using a three-dimensional, surface structure analyzer-the NewView5000 manufactured by Zygo Corporation (Middlefield, CT). This system provides graphical images and high-resolution numerical analyses to accurately characterize surfaces. Because of the inherent complexity of the various analyzed assemblies, the machine has been pushed to its limits. For example, special hardware fixtures and measuring techniques were developed to characterize Oil- Free thrust bearings specifically. We performed a more detailed wear analysis using scanning white light interferometry to image and measure the bearing structure and topography, enabling a further understanding of bearing failure causes.

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

Comprehensive design of omnidirectional high-performance perovskite solar cells

PubMed Central

Zhang, Yutao; Xuan, Yimin

2016-01-01

The comprehensive design approach is established with coupled optical-electrical simulation for perovskite-based solar cell, which emerged as one of the most promising competitors to silicon solar cell for its low-cost fabrication and high PCE. The selection of structured surface, effect of geometry parameters, incident angle-dependence and polarization-sensitivity are considered in the simulation. The optical modeling is performed via the finite-difference time-domain method whilst the electrical properties are obtained by solving the coupled nonlinear equations of Poisson, continuity, and drift-diffusion equations. The optical and electrical performances of five different structured surfaces are compared to select a best structured surface for perovskite solar cell. The effects of the geometry parameters on the optical and electrical properties of the perovskite cell are analyzed. The results indicate that the light harvesting is obviously enhanced by the structured surface. The electrical performance can be remarkably improved due to the enhanced light harvesting of the designed best structured surface. The angle-dependence for s- and p-polarizations is investigated. The structured surface exhibits omnidirectional behavior and favorable polarization-insensitive feature within a wide incident angle range. Such a comprehensive design approach can highlight the potential of perovskite cell for power conversion in the full daylight. PMID:27405419

Comprehensive design of omnidirectional high-performance perovskite solar cells.

PubMed

Zhang, Yutao; Xuan, Yimin

2016-07-13

The comprehensive design approach is established with coupled optical-electrical simulation for perovskite-based solar cell, which emerged as one of the most promising competitors to silicon solar cell for its low-cost fabrication and high PCE. The selection of structured surface, effect of geometry parameters, incident angle-dependence and polarization-sensitivity are considered in the simulation. The optical modeling is performed via the finite-difference time-domain method whilst the electrical properties are obtained by solving the coupled nonlinear equations of Poisson, continuity, and drift-diffusion equations. The optical and electrical performances of five different structured surfaces are compared to select a best structured surface for perovskite solar cell. The effects of the geometry parameters on the optical and electrical properties of the perovskite cell are analyzed. The results indicate that the light harvesting is obviously enhanced by the structured surface. The electrical performance can be remarkably improved due to the enhanced light harvesting of the designed best structured surface. The angle-dependence for s- and p-polarizations is investigated. The structured surface exhibits omnidirectional behavior and favorable polarization-insensitive feature within a wide incident angle range. Such a comprehensive design approach can highlight the potential of perovskite cell for power conversion in the full daylight.

Grazing-incidence coherent x-ray imaging in true reflection geometry

NASA Astrophysics Data System (ADS)

Sun, Tao; Jiang, Zhang; Strzalka, Joseph; Wang, Jin

2012-02-01

The development of the 3^rd and 4^th generation synchrotrons has stimulated extensive research activities in x-ray imaging techniques. Among all, coherent diffractive imaging (CDI) shows great promise, as its resolution is only limited by the wavelength of the source. Most of the CDI work reported thus far used transmission geometry, which however is not suitable for samples on opaque substrates or in which only the surfaces are the regions of interest. Even though two groups have performed CDI experiments (using laser or x-ray) in reflection geometry and succeeded in reconstructing the planar image of the surface, the theoretical underpinnings and analysis approaches of their techniques are essentially identical to transmission CDI. Most importantly, they couldn't obtain the structural information along sample thickness direction. Here, we introduce a reflection CDI technique that works at grazing-incidence geometry. By visualizing Au nanostructures fabricated on Si substrate, we demonstrate that this innovative imaging technique is capable of obtaining both 2D and 3D information of surfaces or buried structures in the samples. In the meanwhile, we will also explain the grazing-incidence-scattering based-algorithm developed for 3D phase retrieval.

Abnormal arrangement of a collagen/apatite extracellular matrix orthogonal to osteoblast alignment is constructed by a nanoscale periodic surface structure.

PubMed

Matsugaki, Aira; Aramoto, Gento; Ninomiya, Takafumi; Sawada, Hiroshi; Hata, Satoshi; Nakano, Takayoshi

2015-01-01

Morphological and directional alteration of cells is essential for structurally appropriate construction of tissues and organs. In particular, osteoblast alignment is crucial for the realization of anisotropic bone tissue microstructure. In this article, the orientation of a collagen/apatite extracellular matrix (ECM) was established by controlling osteoblast alignment using a surface geometry with nanometer-sized periodicity induced by laser ablation. Laser irradiation induced self-organized periodic structures (laser-induced periodic surface structures; LIPSS) with a spatial period equal to the wavelength of the incident laser on the surface of biomedical alloys of Ti-6Al-4V and Co-Cr-Mo. Osteoblast orientation was successfully induced parallel to the grating structure. Notably, both the fibrous orientation of the secreted collagen matrix and the c-axis of the produced apatite crystals were orientated orthogonal to the cell direction. To the best of our knowledge, this is the first report demonstrating that bone tissue anisotropy is controllable, including the characteristic organization of a collagen/apatite composite orthogonal to the osteoblast orientation, by controlling the cell alignment using periodic surface geometry. Copyright © 2014 Elsevier Ltd. All rights reserved.

Pre-evaluation and interactive editing of B-spline and GERBS curves and surfaces

NASA Astrophysics Data System (ADS)

Laksâ, Arne

2017-12-01

Interactive computer based geometry editing is very useful for designers and artists. Our goal has been to develop useful tools for geometry editing in a way that increases the ability for creative design. When we interactively editing geometry, we want to see the change happening gradually and smoothly on the screen. Pre-evaluation is a tool for increasing the speed of the graphics when doing interactive affine operation on control points and control surfaces. It is then possible to add details on surfaces, and change shape in a smooth and continuous way. We use pre-evaluation on basis functions, on blending functions and on local surfaces. Pre-evaluation can be made hierarchi-cally and is thus useful for local refinements. Sampling and plotting of curves, surfaces and volumes can today be handled by the GPU and it is therefore important to have a structured organization and updating system to be able to make interactive editing as smooth and user friendly as possible. In the following, we will show a structure for pre-evaluation and an optimal organisation of the computation and we will show the effect of implementing both of these techniques.

CAPRI (Computational Analysis PRogramming Interface): A Solid Modeling Based Infra-Structure for Engineering Analysis and Design Simulations

NASA Technical Reports Server (NTRS)

Haimes, Robert; Follen, Gregory J.

1998-01-01

CAPRI is a CAD-vendor neutral application programming interface designed for the construction of analysis and design systems. By allowing access to the geometry from within all modules (grid generators, solvers and post-processors) such tasks as meshing on the actual surfaces, node enrichment by solvers and defining which mesh faces are boundaries (for the solver and visualization system) become simpler. The overall reliance on file 'standards' is minimized. This 'Geometry Centric' approach makes multi-physics (multi-disciplinary) analysis codes much easier to build. By using the shared (coupled) surface as the foundation, CAPRI provides a single call to interpolate grid-node based data from the surface discretization in one volume to another. Finally, design systems are possible where the results can be brought back into the CAD system (and therefore manufactured) because all geometry construction and modification are performed using the CAD system's geometry kernel.

Influence of airfoil geometry on delta wing leading-edge vortices and vortex-induced aerodynamics at supersonic speeds

NASA Technical Reports Server (NTRS)

Wood, Richard M.; Byrd, James E.; Wesselmann, Gary F.

1992-01-01

An assessment of the influence of airfoil geometry on delta wing leading edge vortex flow and vortex induced aerodynamics at supersonic speeds is discussed. A series of delta wing wind tunnel models were tested over a Mach number range from 1.7 to 2.0. The model geometric variables included leading edge sweep and airfoil shape. Surface pressure data, vapor screen, and oil flow photograph data were taken to evaluate the complex structure of the vortices and shocks on the family of wings tested. The data show that airfoil shape has a significant impact on the wing upper surface flow structure and pressure distribution, but has a minimal impact on the integrated upper surface pressure increments.

Extrapolating surface structures to depth in transpressional systems: the role of rheology and convergence angle deduced from analogue experiments

NASA Astrophysics Data System (ADS)

Hsieh, Shang Yu; Neubauer, Franz; Cloetingh, Sierd; Willingshofer, Ernst; Sokoutis, Dimitrios

2014-05-01

The internal structure of major strike-slip faults is still poorly understood, particularly how the deep structure could be inferred from its surface expression (Molnar and Dayem, 2011 and references therein). Previous analogue experiments suggest that the convergence angle is the most influential factor (Leever et al., 2011). Further analogue modeling may allow a better understanding how to extrapolate surface structures to the subsurface geometry of strike-slip faults. Various scenarios of analogue experiments were designed to represent strike-slip faults in nature from different geological settings. As such key parameters, which are investigated in this study include: (a) the angle of convergence, (b) the thickness of brittle layer, (c) the influence of a rheological weak layer within the crust, and (d) influence of a thick and rheologically weak layer at the base of the crust. The latter aimed to simulate the effect of a hot metamorphic core complex or an alignment of uprising plutons bordered by a transtensional/transpressional strike-slip fault. The experiments are aimed to explain first order structures along major transcurrent strike-slip faults such as the Altyn, Kunlun, San Andrea and Greendale (Darfield earthquake 2010) faults. The preliminary results show that convergence angle significantly influences the overall geometry of the transpressive system with greater convergence angles resulting in wider fault zones and higher elevation. Different positions, densities and viscosities of weak rheological layers have not only different surface expressions but also affect the fault geometry in the subsurface. For instance, rheological weak material in the bottom layer results in stretching when experiment reaches a certain displacement and a buildup of a less segmented, wide positive flower structure. At the surface, a wide fault valley in the middle of the fault zone is the reflection of stretching along the velocity discontinuity at depth. In models with a thin and rheologically weaker layer in the middle of the brittle layer, deformation is distributed over more faults and the geometry of the fault zone below and above the weak zone shows significant differences, suggesting that the correlation of structures across a weak layer has to be supported by geophysical data, which help constraining the geometry of the deep part. This latter experiment has significantly similar phenomena in reality, such as few pressure ridges along Altyn fault. The experimental results underline the need to understand the role of the convergence angle and the influence of rheology on fault evolution, in order to connect between surface deformation and subsurface geometry. References Leever, K. A., Gabrielsen, R. H., Sokoutis, D., Willingshofer, E., 2011. The effect of convergence angle on the kinematic evolution of strain partitioning in transpressional brittle wedges: Insight from analog modeling and high-resolution digital image analysis. Tectonics, 30(2), TC2013. Molnar, P., Dayem, K.E., 2010. Major intracontinental strike-slip faults and contrasts in lithospheric strength. Geosphere, 6, 444-467.

Automated hexahedral mesh generation from biomedical image data: applications in limb prosthetics.

PubMed

Zachariah, S G; Sanders, J E; Turkiyyah, G M

1996-06-01

A general method to generate hexahedral meshes for finite element analysis of residual limbs and similar biomedical geometries is presented. The method utilizes skeleton-based subdivision of cross-sectional domains to produce simple subdomains in which structured meshes are easily generated. Application to a below-knee residual limb and external prosthetic socket is described. The residual limb was modeled as consisting of bones, soft tissue, and skin. The prosthetic socket model comprised a socket wall with an inner liner. The geometries of these structures were defined using axial cross-sectional contour data from X-ray computed tomography, optical scanning, and mechanical surface digitization. A tubular surface representation, using B-splines to define the directrix and generator, is shown to be convenient for definition of the structure geometries. Conversion of cross-sectional data to the compact tubular surface representation is direct, and the analytical representation simplifies geometric querying and numerical optimization within the mesh generation algorithms. The element meshes remain geometrically accurate since boundary nodes are constrained to lie on the tubular surfaces. Several element meshes of increasing mesh density were generated for two residual limbs and prosthetic sockets. Convergence testing demonstrated that approximately 19 elements are required along a circumference of the residual limb surface for a simple linear elastic model. A model with the fibula absent compared with the same geometry with the fibula present showed differences suggesting higher distal stresses in the absence of the fibula. Automated hexahedral mesh generation algorithms for sliced data represent an advancement in prosthetic stress analysis since they allow rapid modeling of any given residual limb and optimization of mesh parameters.

SU-E-T-558: Monte Carlo Photon Transport Simulations On GPU with Quadric Geometry

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

Chi, Y; Tian, Z; Jiang, S

Purpose: Monte Carlo simulation on GPU has experienced rapid advancements over the past a few years and tremendous accelerations have been achieved. Yet existing packages were developed only in voxelized geometry. In some applications, e.g. radioactive seed modeling, simulations in more complicated geometry are needed. This abstract reports our initial efforts towards developing a quadric geometry module aiming at expanding the application scope of GPU-based MC simulations. Methods: We defined the simulation geometry consisting of a number of homogeneous bodies, each specified by its material composition and limiting surfaces characterized by quadric functions. A tree data structure was utilized tomore » define geometric relationship between different bodies. We modified our GPU-based photon MC transport package to incorporate this geometry. Specifically, geometry parameters were loaded into GPU’s shared memory for fast access. Geometry functions were rewritten to enable the identification of the body that contains the current particle location via a fast searching algorithm based on the tree data structure. Results: We tested our package in an example problem of HDR-brachytherapy dose calculation for shielded cylinder. The dose under the quadric geometry and that under the voxelized geometry agreed in 94.2% of total voxels within 20% isodose line based on a statistical t-test (95% confidence level), where the reference dose was defined to be the one at 0.5cm away from the cylinder surface. It took 243sec to transport 100million source photons under this quadric geometry on an NVidia Titan GPU card. Compared with simulation time of 99.6sec in the voxelized geometry, including quadric geometry reduced efficiency due to the complicated geometry-related computations. Conclusion: Our GPU-based MC package has been extended to support photon transport simulation in quadric geometry. Satisfactory accuracy was observed with a reduced efficiency. Developments for charged particle transport in this geometry are currently in progress.« less

Method for determining optimal supercell representation of interfaces

NASA Astrophysics Data System (ADS)

Stradi, Daniele; Jelver, Line; Smidstrup, Søren; Stokbro, Kurt

2017-05-01

The geometry and structure of an interface ultimately determines the behavior of devices at the nanoscale. We present a generic method to determine the possible lattice matches between two arbitrary surfaces and to calculate the strain of the corresponding matched interface. We apply this method to explore two relevant classes of interfaces for which accurate structural measurements of the interface are available: (i) the interface between pentacene crystals and the (1 1 1) surface of gold, and (ii) the interface between the semiconductor indium-arsenide and aluminum. For both systems, we demonstrate that the presented method predicts interface geometries in good agreement with those measured experimentally, which present nontrivial matching characteristics and would be difficult to guess without relying on automated structure-searching methods.

Analysis of SIR-B radar illumination of geometry for depth of penetration and surface feature and vegetation detection, Nevada and California

NASA Technical Reports Server (NTRS)

Taranik, J. V.; Slemmons, D. B.; Bell, E. J.; Borengasser, M.; Lugaski, T. P.; Vreeland, H.; Vreeland, P.; Kleiner, E.; Peterson, F. F.; Kleiforth, H.

1984-01-01

The measurement capability provided by the Shuttle Imaging Radar (SIR-B) was used to determine: (1) the relationships between radar illumination geometry and depth of penetration in different climatic and physiographic environments in Nevada; and, (2) the relationships between radar illumination geometry and detection and analysis of structural features in different climatic and physiographic environments in Nevada.

Thermodynamics of water structural reorganization due to geometric confinement

NASA Astrophysics Data System (ADS)

Stroberg, Wylie; Lichter, Seth

2015-03-01

Models of aqueous solvation have successfully quantified the behavior of water near convex bodies. However, many important processes occurring in aqueous solution involve interactions between solutes and surfaces with complicated non-convex geometries. Examples include the folding of proteins, hydrophobic association of solutes, ligand-receptor binding, and water confined within nanotubes and pores. For these geometries, models for solvation of convex bodies fail to account for the added interactions associated with structural confinement. Due to water's propensity to form networks of hydrogen bonds, small alterations to the confining geometry can induce large structural rearrangement within the water. We perform systematic Monte Carlo simulations of water confined to cylindrical cavities of varying aspect ratio to investigate how small geometric changes to the confining geometry may cause large changes to the structure and thermodynamic state of water. Using the Wang-Landau algorithm, we obtain free energies, enthalpies, entropies, and heat capacities across a broad range of temperatures, and show how these quantities are influenced by the structural rearrangement of water molecules due to geometric perturbations.

Low-energy electron diffraction study of potassium adsorbed on single-crystal graphite and highly oriented pyrolytic graphite

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

Ferralis, N.; Diehl, R.D.; Pussi, K.

2004-12-15

Potassium adsorption on graphite has been a model system for the understanding of the interaction of alkali metals with surfaces. The geometries of the (2x2) structure of potassium on both single-crystal graphite (SCG) and highly oriented pyrolytic graphite (HOPG) were investigated for various preparation conditions for graphite temperatures between 55 and 140 K. In all cases, the geometry was found to consist of K atoms in the hollow sites on top of the surface. The K-graphite average perpendicular spacing is 2.79{+-}0.03 A , corresponding to an average C-K distance of 3.13{+-}0.03 A , and the spacing between graphite planes ismore » consistent with the bulk spacing of 3.35 A. No evidence was observed for a sublayer of potassium. The results of dynamical LEED studies for the clean SCG and HOPG surfaces indicate that the surface structures of both are consistent with the truncated bulk structure of graphite.« less

Multiple patterns of diblock copolymer confined in irregular geometries with soft surface

NASA Astrophysics Data System (ADS)

Li, Ying; Sun, Min-Na; Zhang, Jin-Jun; Pan, Jun-Xing; Guo, Yu-Qi; Wang, Bao-Feng; Wu, Hai-Shun

2015-12-01

The different confinement shapes can induce the formation of various interesting and novel morphologies, which might inspire potential applications of materials. In this paper, we study the directed self-assembly of diblock copolymer confined in irregular geometries with a soft surface by using self-consistent field theory. Two types of confinement geometries are considered, namely, one is the concave pore with one groove and the other is the concave pore with two grooves. We obtain more novel and different structures which could not be produced in other two-dimensional (2D) confinements. Comparing these new structures with those obtained in regular square confinement, we find that the range of ordered lamellae is enlarged and the range of disordered structure is narrowed down under the concave pore confinement. We also compare the different structures obtained under the two types of confinement geometries, the results show that the effect of confinement would increase, which might induce the diblock copolymer to form novel structures. We construct the phase diagram as a function of the fraction of B block and the ratio of h/L of the groove. The simulation reveals that the wetting effect of brushes and the shape of confinement geometries play important roles in determining the morphologies of the system. Our results improve the applications in the directed self-assembly of diblock copolymer for fabricating the irregular structures. Project supported by the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20121404110004), the Research Foundation for Excellent Talents of Shanxi Provincial Department of Human Resources and Social Security, China, and the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province, China.

Foam structure :from soap froth to solid foams.

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

Kraynik, Andrew Michael

2003-01-01

The properties of solid foams depend on their structure, which usually evolves in the fluid state as gas bubbles expand to form polyhedral cells. The characteristic feature of foam structure-randomly packed cells of different sizes and shapes-is examined in this article by considering soap froth. This material can be modeled as a network of minimal surfaces that divide space into polyhedral cells. The cell-level geometry of random soap froth is calculated with Brakke's Surface Evolver software. The distribution of cell volumes ranges from monodisperse to highly polydisperse. Topological and geometric properties, such as surface area and edge length, of themore » entire foam and individual cells, are discussed. The shape of struts in solid foams is related to Plateau borders in liquid foams and calculated for different volume fractions of material. The models of soap froth are used as templates to produce finite element models of open-cell foams. Three-dimensional images of open-cell foams obtained with x-ray microtomography allow virtual reconstruction of skeletal structures that compare well with the Surface Evolver simulations of soap-froth geometry.« less

Scaling of heat transfer augmentation due to mechanical distortions in hypervelocity boundary layers

NASA Astrophysics Data System (ADS)

Flaherty, W.; Austin, J. M.

2013-10-01

We examine the response of hypervelocity boundary layers to global mechanical distortions due to concave surface curvature. Surface heat transfer and visual boundary layer thickness data are obtained for a suite of models with different concave surface geometries. Results are compared to predictions using existing approximate methods. Near the leading edge, good agreement is observed, but at larger pressure gradients, predictions diverge significantly from the experimental data. Up to a factor of five underprediction is reported in regions with greatest distortion. Curve fits to the experimental data are compared with surface equations. We demonstrate that reasonable estimates of the laminar heat flux augmentation may be obtained as a function of the local turning angle for all model geometries, even at the conditions of greatest distortion. This scaling may be explained by the application of Lees similarity. As a means of introducing additional local distortions, vortex generators are used to impose streamwise structures into the boundary layer. The response of the large scale vortices to an adverse pressure gradient is investigated. Surface streak evolution is visualized over the different surface geometries using fast response pressure sensitive paint. For a flat plate baseline case, heat transfer augmentation at similar levels to turbulent flow is measured. For the concave geometries, increases in heat transfer by factors up to 2.6 are measured over the laminar values. The scaling of heat transfer with turning angle that is identified for the laminar boundary layer response is found to be robust even in the presence of the imposed vortex structures.

First-principles theoretical investigation of monoatomic and dimer Mn adsorption on noble metal (111) surfaces

NASA Astrophysics Data System (ADS)

Muñoz, Francisco; Romero, Aldo H.; Mejía-López, Jose; Morán-López, J. L.

2012-03-01

A theoretical investigation of the adsorption of Mn single atoms and dimers on the (111) surface of Cu, Ag, and Au, within the framework of the density functional theory, is presented. First, the bulk and the clean (111) surface electronic structures are calculated, with results that agree well with previous reports. To understand the adatom-substrate interaction, also the electronic characteristics of the free Mn dimer are determined. Then, the electronic structure of the Mn adatom, chemisorbed on four different surface geometries, is analyzed for the three noble metals. It is found that the most stable geometry, in all three cases, Cu, Ag, and Au, occurs when the Mn atom is chemisorbed on threefold coordinated sites. For the dimer, the lowest-energy configuration corresponds to the molecule lying parallel to the surface. In the three noble metals, the geometry corresponds to both atoms chemisorbed in threefold coordinated sites, but with different local symmetry. It is also found that the magnetic configuration with the lowest energy corresponds to the antiferromagnetic arrangement of Mn atoms, with individual magnetic moments close to 5μB. The ferromagnetic and antiferromagnetic solutions, in the case of a Ag substrate, are close in energy. It is also found that in this case the Mn2 molecule is chemisorbed with very similar energy on various geometries. To study the dynamical motion of the dimer components, we calculated the potential energy barriers for the Mn motion in the various surfaces. In contrast to Cu and Au, this leads to the conclusion that on Ag the Mn dimer moves relatively freely.

Multi-scale cell/surface interaction on modified titanium aluminum vanadium surfaces

NASA Astrophysics Data System (ADS)

Chen, Jianbo

This dissertation presents a series of experimental studies of the effects of multi-scale cell/surface interactions on modified Ti-6Al-4V surfaces. These include laser-grooved surfaces; porous structures and RGD-coated laser-grooved surfaces. A nano-second DPSS UV lasers with a Gaussian pulse energy profile was used to introduce the desired micro-groove geometries onto Ti-6Al-4V surfaces. This was done without inducing micro-cracks or significant changes in surface chemistry within the heat affected zones. The desired 8-12 mum groove depths and widths were achieved by the control of pulse frequency, scan speed, and the lens focal length that controls spot size. The interactions between human osteosarcoma (HOS) cells and laser-grooved Ti-6Al-4V surfaces were investigated after 48 hours of cell culture. The cell behavior, including cell spreading, alignment and adhesion, was elucidated using scanning electronic microscopy (SEM), immuno-fluorescence staining and enzymatic detachment. Contact guidance was shown to increase as grooved spacing decreased. For the range of micro-groove geometries studied, micro-grooves with groove spacings of 20 mum provided the best combination of cell orientation and adhesion. Short-term adhesion experiments (15 mins to 1 day) also revealed that there is a positive correlation between cell orientation and cell adhesion. Contact guidance on the micro-grooved surfaces is shown to be enhanced by nano- and micro-scale asperities that provide sites for the attachment of lamellopodia during cell locomotion and spreading. Contact guidance is also promoted by the geometrical confinement provided by laser grooves. An experimental study of initial cell spreading and ingrowth into Ti-6Al-4V porous structures was also carried out on porous structures with different pore sizes and geometries. A combination of SEM, the tetrazolium salt (MTT) colorimetric assay and enzymatic detachment were used to study cell spreading and adhesion. The extent of cell ingrowth, pore coverage, cell adhesion and proliferation was observed to increase with decreasing pore size. It was found that fiber geometries provided guidance for cell spreading along the fiber directions. However, the larger gaps in fiber geometries made pore bridging difficult. Finally, this dissertation presents an in vivo study of the combined effects of laser microgrooving and RGD-coating on the osseointegration of implanted Ti-6Al-4V pins. Both histological and biomechanical results show that the combination of laser microgrooving and RGD-coating results in improved osseointegration over the control surfaces. All the above findings have important implications for future orthopedic and dental implant design.

SU-E-T-82: Comparison of Several Lumbar Intervertebral Fusion Titanium Cages with Respect to Their Backscattering Properties

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

Failing, T; Chofor, N; Poppinga, D

Purpose: Investigating the backscatter dose factor with regards to structure and geometry of the surface material. Methods: The titanium cages used for this study representing both prototypes and well established products are made of a laser-sintered titanium alloy (AditusV GmbH, Berlin, Germany). A set of four radiochromic EBT3 films was used in a stacked geometry to measure the range and the magnitude of the expected surface dose enhancement due to the in comparison to water increased secondary electron release from the material. The measurement geometry and the small thickness of radiochromic EBT3 film allowed the dose measurement at distances ofmore » 0.1 mm, 0.9 mm, 1.7 mm and 2.5 mm from the probe surfaces. Water reference measurements were taken under equal conditions, in order to allow the calculation of the relative dose enhancement at the surface of a probe. Measurements were performed within a water phantom. An Epson Expression 10000 XL flatbed scanner was used for digitization. Results: Sintered titanium showed a dose enhancement factor of 1.22 at the surface of the material. The factor can be reduced to less than 1.10 by utilizing mesh structures. In both cases, the dose enhancement factor decreased to less than 1.03 at a distance of 1.7mm indicating the low energy of scattered electrons. Conclusion: Backscattering of titanium cages should be considered in treatment planning, especially when the cages are located close to organs at risk. While mesh structures were introduced to improve bone fusion with the implant structure, the potentially harmful surface dose enhancement is significantly reduced.« less

Strategies Toward Automation of Overset Structured Surface Grid Generation

NASA Technical Reports Server (NTRS)

Chan, William M.

2017-01-01

An outline of a strategy for automation of overset structured surface grid generation on complex geometries is described. The starting point of the process consists of an unstructured surface triangulation representation of the geometry derived from a native CAD, STEP, or IGES definition, and a set of discretized surface curves that captures all geometric features of interest. The procedure for surface grid generation is decomposed into an algebraic meshing step, a hyperbolic meshing step, and a gap-filling step. This paper will focus primarily on the high-level plan with details on the algebraic step. The algorithmic procedure for the algebraic step involves analyzing the topology of the network of surface curves, distributing grid points appropriately on these curves, identifying domains bounded by four curves that can be meshed algebraically, concatenating the resulting grids into fewer patches, and extending appropriate boundaries of the concatenated grids to provide proper overlap. Results are presented for grids created on various aerospace vehicle components.

Synthesis of hollow silica spheres with hierarchical shell structure by the dual action of liquid indium microbeads in vapor-liquid-solid growth.

PubMed

Wang, Jian-Tao; Wang, Hui; Ou, Xue-Mei; Lee, Chun-Sing; Zhang, Xiao-Hong

2011-07-05

Geometry-based adhesion arising from hierarchical surface structure enables microspheres to adhere to cells strongly, which is essential for inorganic microcapsules that function as drug delivery or diagnostic imaging agents. However, constructing a hierarchical structure on the outer shell of the products via the current microcapsule synthesis method is difficult. This work presents a novel approach to fabricating hollow microspheres with a hierarchical shell structure through the vapor-liquid-solid (VLS) process in which liquid indium droplets act as both templates for the formation of silica capsules and catalysts for the growth of hierarchical shell structure. This hierarchical shell structure offers the hollow microsphere an enhanced geometry-based adhesion. The results provide a facile method for fabricating hollow spheres and enriching their function through tailoring the geometry of their outer shells. © 2011 American Chemical Society

Freeform manufacturing of a microoptical lens array on a steep curved substrate by use of a voice coil fast tool servo.

PubMed

Scheiding, Sebastian; Yi, Allen Y; Gebhardt, Andreas; Li, Lei; Risse, Stefan; Eberhardt, Ramona; Tünnermann, Andreas

2011-11-21

We report what is to our knowledge the first approach to diamond turn microoptical lens array on a steep curved substrate by use of a voice coil fast tool servo. In recent years ultraprecision machining has been employed to manufacture accurate optical components with 3D structure for beam shaping, imaging and nonimaging applications. As a result, geometries that are difficult or impossible to manufacture using lithographic techniques might be fabricated using small diamond tools with well defined cutting edges. These 3D structures show no rotational symmetry, but rather high frequency asymmetric features thus can be treated as freeform geometries. To transfer the 3D surface data with the high frequency freeform features into a numerical control code for machining, the commonly piecewise differentiable surfaces are represented as a cloud of individual points. Based on this numeric data, the tool radius correction is calculated to account for the cutting-edge geometry. Discontinuities of the cutting tool locations due to abrupt slope changes on the substrate surface are bridged using cubic spline interpolation.When superimposed with the trajectory of the rotationally symmetric substrate the complete microoptical geometry in 3D space is established. Details of the fabrication process and performance evaluation are described. © 2011 Optical Society of America

A design tool for direct and non-stochastic calculations of near-field radiative transfer in complex structures: The NF-RT-FDTD algorithm

NASA Astrophysics Data System (ADS)

Didari, Azadeh; Pinar Mengüç, M.

2017-08-01

Advances in nanotechnology and nanophotonics are inextricably linked with the need for reliable computational algorithms to be adapted as design tools for the development of new concepts in energy harvesting, radiative cooling, nanolithography and nano-scale manufacturing, among others. In this paper, we provide an outline for such a computational tool, named NF-RT-FDTD, to determine the near-field radiative transfer between structured surfaces using Finite Difference Time Domain method. NF-RT-FDTD is a direct and non-stochastic algorithm, which accounts for the statistical nature of the thermal radiation and is easily applicable to any arbitrary geometry at thermal equilibrium. We present a review of the fundamental relations for far- and near-field radiative transfer between different geometries with nano-scale surface and volumetric features and gaps, and then we discuss the details of the NF-RT-FDTD formulation, its application to sample geometries and outline its future expansion to more complex geometries. In addition, we briefly discuss some of the recent numerical works for direct and indirect calculations of near-field thermal radiation transfer, including Scattering Matrix method, Finite Difference Time Domain method (FDTD), Wiener Chaos Expansion, Fluctuating Surface Current (FSC), Fluctuating Volume Current (FVC) and Thermal Discrete Dipole Approximations (TDDA).

Integrating aerodynamic surface modeling for computational fluid dynamics with computer aided structural analysis, design, and manufacturing

NASA Technical Reports Server (NTRS)

Thorp, Scott A.

1992-01-01

This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.

Evaluation of High Temperature Knitted Spring Tubes for Structural Seal Applications

NASA Technical Reports Server (NTRS)

Taylor, Shawn C.; DeMange, Jeffrey J.; Dunlap, Patrick H., Jr.; Steinetz, Bruce M.

2004-01-01

Control surface seals are crucial to current and future space vehicles, as they are used to seal the gaps surrounding body flaps, elevons, and other actuated exterior surfaces. During reentry, leakage of high temperature gases through these gaps could damage underlying lower temperature structures such as rudder drive motors and mechanical actuators, resulting in impaired vehicle control. To be effective, control surface seals must shield lower temperature structures from heat transfer by maintaining sufficient resiliency to remain in contact with opposing sealing surfaces through multiple compression cycles. The current seal exhibits significant loss of resiliency after a few compression cycles at elevated temperatures (i.e., 1900 F) and therefore would be inadequate for advanced space vehicles. This seal utilizes a knitted Inconel X-750 spring tube as its primary resilient element. As part of a larger effort to enhance seal resiliency, researchers at the NASA Glenn Research Center performed high temperature compression testing (up to 2000 F) on candidate spring tube designs employing material substitutions and modified geometries. These tests demonstrated significant improvements in spring tube resiliency (5.5x better at 1750 F) through direct substitution of heat treated Rene 41 alloy in the baseline knit design. The impact of geometry modification was minor within the range of parameters tested, however trends did suggest that moderate resiliency improvements could be obtained by optimizing the current spring tube geometry.

Combining 3D human in vitro methods for a 3Rs evaluation of novel titanium surfaces in orthopaedic applications

PubMed Central

Stevenson, G.; Rehman, S.; Draper, E.; Hernández‐Nava, E.; Hunt, J.

2016-01-01

ABSTRACT In this study, we report on a group of complementary human osteoblast in vitro test methods for the preclinical evaluation of 3D porous titanium surfaces. The surfaces were prepared by additive manufacturing (electron beam melting [EBM]) and plasma spraying, allowing the creation of complex lattice surface geometries. Physical properties of the surfaces were characterized by SEM and profilometry and 3D in vitro cell culture using human osteoblasts. Primary human osteoblast cells were found to elicit greater differences between titanium sample surfaces than an MG63 osteoblast‐like cell line, particularly in terms of cell survival. Surface morphology was associated with higher osteoblast metabolic activity and mineralization on rougher titanium plasma spray coated surfaces than smoother surfaces. Differences in osteoblast survival and metabolic activity on titanium lattice structures were also found, despite analogous surface morphology at the cellular level. 3D confocal microscopy identified osteoblast organization within complex titanium surface geometries, adhesion, spreading, and alignment to the biomaterial strut geometries. Mineralized nodule formation throughout the lattice structures was also observed, and indicative of early markers of bone in‐growth on such materials. Testing methods such as those presented are not traditionally considered by medical device manufacturers, but we suggest have value as an increasingly vital tool in efficiently translating pre‐clinical studies, especially in balance with current regulatory practice, commercial demands, the 3Rs, and the relative merits of in vitro and in vivo studies. Biotechnol. Bioeng. 2016;113: 1586–1599. © 2015 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc. PMID:26702609

Deformation associated with continental normal faults

NASA Astrophysics Data System (ADS)

Resor, Phillip G.

Deformation associated with normal fault earthquakes and geologic structures provide insights into the seismic cycle as it unfolds over time scales from seconds to millions of years. Improved understanding of normal faulting will lead to more accurate seismic hazard assessments and prediction of associated structures. High-precision aftershock locations for the 1995 Kozani-Grevena earthquake (Mw 6.5), Greece image a segmented master fault and antithetic faults. This three-dimensional fault geometry is typical of normal fault systems mapped from outcrop or interpreted from reflection seismic data and illustrates the importance of incorporating three-dimensional fault geometry in mechanical models. Subsurface fault slip associated with the Kozani-Grevena and 1999 Hector Mine (Mw 7.1) earthquakes is modeled using a new method for slip inversion on three-dimensional fault surfaces. Incorporation of three-dimensional fault geometry improves the fit to the geodetic data while honoring aftershock distributions and surface ruptures. GPS Surveying of deformed bedding surfaces associated with normal faulting in the western Grand Canyon reveals patterns of deformation that are similar to those observed by interferometric satellite radar interferometry (InSAR) for the Kozani Grevena earthquake with a prominent down-warp in the hanging wall and a lesser up-warp in the footwall. However, deformation associated with the Kozani-Grevena earthquake extends ˜20 km from the fault surface trace, while the folds in the western Grand Canyon only extend 500 m into the footwall and 1500 m into the hanging wall. A comparison of mechanical and kinematic models illustrates advantages of mechanical models in exploring normal faulting processes including incorporation of both deformation and causative forces, and the opportunity to incorporate more complex fault geometry and constitutive properties. Elastic models with antithetic or synthetic faults or joints in association with a master normal fault illustrate how these secondary structures influence the deformation in ways that are similar to fault/fold geometry mapped in the western Grand Canyon. Specifically, synthetic faults amplify hanging wall bedding dips, antithetic faults reduce dips, and joints act to localize deformation. The distribution of aftershocks in the hanging wall of the Kozani-Grevena earthquake suggests that secondary structures may accommodate strains associated with slip on a master fault during postseismic deformation.

Surface effects on mean inner potentials studied using density functional theory.

PubMed

Pennington, Robert S; Boothroyd, Chris B; Dunin-Borkowski, Rafal E

2015-12-01

Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both "thin-film" and "nanowire" specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. Copyright © 2015 Elsevier B.V. All rights reserved.

Parametric design and gridding through relational geometry

NASA Technical Reports Server (NTRS)

Letcher, John S., Jr.; Shook, D. Michael

1995-01-01

Relational Geometric Synthesis (RGS) is a new logical framework for building up precise definitions of complex geometric models from points, curves, surfaces and solids. RGS achieves unprecedented design flexibility by supporting a rich variety of useful curve and surface entities. During the design process, many qualitative and quantitative relationships between elementary objects may be captured and retained in a data structure equivalent to a directed graph, such that they can be utilized for automatically updating the complete model geometry following changes in the shape or location of an underlying object. Capture of relationships enables many new possibilities for parametric variations and optimization. Examples are given of panelization applications for submarines, sailing yachts, offshore structures, and propellers.

Geometries in Soft Matter From Geometric Frustration, Liquid Droplets to Electrostatics in Solution

NASA Astrophysics Data System (ADS)

Yao, Zhenwei

This thesis explores geometric aspects of soft matter systems. The topics covered fall into three categories: (i) geometric frustrations, including the interplay of geometry and topological defects in two dimensional systems, and the frustration of a planar sheet attached to a curved surface; (ii) geometries of liquid droplets, including the curvature driven instabilities of toroidal liquid droplets and the self-propulsion of droplets on a spatially varying surface topography; (iii) the study of the electric double layer structure around charged spherical interfaces by a geometric method. In (i), we study the crystalline order on capillary bridges with varying Gaussian curvature. Energy requires the appearance of topological defects on the surface, which are natural spots for biological activity and chemical functionalization. We further study how liquid crystalline order deforms flexible structured vesicles. In particular we find faceted tetrahedral vesicle as the ground state, which may lead to the design of supra-molecular structures with tetrahedral symmetry and new classes of nano-carriers. Furthermore, by a simple paper model we explore the geometric frustration on a planar sheet when brought to a negative curvature surface in a designed elasto-capillary system. In (ii), motivated by the idea of realizing crystalline order on a stable toroidal droplet and a beautiful experiment on toroidal droplets, we study the Rayleigh instability and the shrinking instability of thin and fat toroidal droplets, where the toroidal geometry plays an essential role. In (iii), by a geometric mapping we construct an approximate analytic spherical solution to the nonlinear Poisson-Boltzmann equation, and identify the applicability regime of the solution. The derived geometric solution enables further analytical study of spherical electrostatic systems such as colloidal suspensions.

A Monte Carlo modeling on charging effect for structures with arbitrary geometries

NASA Astrophysics Data System (ADS)

Li, C.; Mao, S. F.; Zou, Y. B.; Li, Yong Gang; Zhang, P.; Li, H. M.; Ding, Z. J.

2018-04-01

Insulating materials usually suffer charging effects when irradiated by charged particles. In this paper, we present a Monte Carlo study on the charging effect caused by electron beam irradiation for sample structures with any complex geometry. When transporting in an insulating solid, electrons encounter elastic and inelastic scattering events; the Mott cross section and a Lorentz-type dielectric function are respectively employed to describe such scatterings. In addition, the band gap and the electron–long optical phonon interaction are taken into account. The electronic excitation in inelastic scattering causes generation of electron–hole pairs; these negative and positive charges establish an inner electric field, which in turn induces the drift of charges to be trapped by impurities, defects, vacancies etc in the solid, where the distributions of trapping sites are assumed to have uniform density. Under charging conditions, the inner electric field distorts electron trajectories, and the surface electric potential dynamically alters secondary electron emission. We present, in this work, an iterative modeling method for a self-consistent calculation of electric potential; the method has advantages in treating any structure with arbitrary complex geometry, in comparison with the image charge method—which is limited to a quite simple boundary geometry. Our modeling is based on: the combination of the finite triangle mesh method for an arbitrary geometry construction; a self-consistent method for the spatial potential calculation; and a full dynamic description for the motion of deposited charges. Example calculations have been done to simulate secondary electron yield of SiO2 for a semi-infinite solid, the charging for a heterostructure of SiO2 film grown on an Au substrate, and SEM imaging of a SiO2 line structure with rough surfaces and SiO2 nanoparticles with irregular shapes. The simulations have explored interesting interlaced charge layer distribution underneath the nanoparticle surface and the mechanism by which it is produced.

Hierarchical micro-nano structured Ti6Al4V surface topography via two-step etching process for enhanced hydrophilicity and osteoblastic responses.

PubMed

Moon, Byeong-Seok; Kim, Sungwon; Kim, Hyoun-Ee; Jang, Tae-Sik

2017-04-01

Hierarchical micro-nano (HMN) surface structuring of dental implants is a fascinating strategy for achieving fast and mechanically stable fixation due to the synergetic effect of micro- and nano-scale surface roughness with surrounding tissues. However, the introduction of a well-defined nanostructure on a microstructure having complex surface geometry is still challenging. As a means of fabricating HMN surface on Ti6Al4V-ELI, target-ion induced plasma sputtering (TIPS) was used onto a sand-blasted, large-grit and acid-etched substrate. The HMN surface topography was simply controlled by adjusting the tantalum (Ta) target power of the TIPS technique, which is directly related to the Ta ion flux and the surface chemical composition of the substrate. Characterization using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning microscopy (LSM) verified that well-defined nano-patterned surface structures with a depth of ~300 to 400nm and a width of ~60 to 70nm were uniformly distributed and followed the complex micron-sized surface geometry. In vitro cellular responses of pre-osteoblast cells (MC3T3-E1) were assessed by attachment and proliferation of cells on flat, nano-roughened, micro-roughened, and an HMN surface structure of Ti6Al4V-ELI. Moreover, an in vivo dog mandible defect model study was used to investigate the biological effect of the HMN surface structure compared with the micro-roughened surface. The results showed that the surface nanostructure significantly increased the cellular activities of flat and micro-roughened Ti, and the bone-to-implant contact area and new bone volume were significantly improved on the HMN surface structured Ti. These results support the idea that an HMN surface structure on Ti6Al4V-ELI alloy has great potential for enhancing the biological performance of dental implants. Copyright © 2016 Elsevier B.V. All rights reserved.

Development of a nearshore oscillating surge wave energy converter with variable geometry

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

Tom, N. M.; Lawson, M. J.; Yu, Y. H.

This paper presents an analysis of a novel wave energy converter concept that combines an oscillating surge wave energy converter (OSWEC) with control surfaces. The control surfaces allow for a variable device geometry that enables the hydrodynamic properties to be adapted with respect to structural loading, absorption range and power-take-off capability. The device geometry is adjusted on a sea state-to-sea state time scale and combined with wave-to-wave manipulation of the power take-off (PTO) to provide greater control over the capture efficiency, capacity factor, and design loads. This work begins with a sensitivity study of the hydrodynamic coefficients with respect tomore » device width, support structure thickness, and geometry. A linear frequency domain analysis is used to evaluate device performance in terms of absorbed power, foundation loads, and PTO torque. Previous OSWEC studies included nonlinear hydrodynamics, in response a nonlinear model that includes a quadratic viscous damping torque that was linearized via the Lorentz linearization. Inclusion of the quadratic viscous torque led to construction of an optimization problem that incorporated motion and PTO constraints. Results from this study found that, when transitioning from moderate-to-large sea states the novel OSWEC was capable of reducing structural loads while providing a near constant power output.« less

Strain-based control of crystal anisotropy for perovskite oxides on semiconductor-based material

DOEpatents

McKee, Rodney Allen; Walker, Frederick Joseph

2000-01-01

A crystalline structure and a semiconductor device includes a substrate of a semiconductor-based material and a thin film of an anisotropic crystalline material epitaxially arranged upon the surface of the substrate so that the thin film couples to the underlying substrate and so that the geometries of substantially all of the unit cells of the thin film are arranged in a predisposed orientation relative to the substrate surface. The predisposition of the geometries of the unit cells of the thin film is responsible for a predisposed orientation of a directional-dependent quality, such as the dipole moment, of the unit cells. The predisposed orientation of the unit cell geometries are influenced by either a stressed or strained condition of the lattice at the interface between the thin film material and the substrate surface.

3D visualization of sheath folds in Ancient Roman marble wall coverings from Ephesos, Turkey

NASA Astrophysics Data System (ADS)

Wex, Sebastian; Passchier, Cees W.; de Kemp, Eric A.; İlhan, Sinan

2014-10-01

Archaeological excavations and restoration of a palatial Roman housing complex in Ephesos, Turkey yielded 40 wall-decorating plates of folded mylonitic marble (Cipollino verde), derived from the internal Hellenides near Karystos, Greece. Cipollino verde was commonly used for decoration purposes in Roman buildings. The plates were serial-sectioned from a single quarried block of 1,25 m3 and provided a research opportunity for detailed reconstruction of the 3D geometry of meterscale folds in mylonitized marble. A GOCAD model is used to visualize the internal fold structures of the marble, comprising curtain folds and multilayered sheath folds. The sheath folds are unusual in that they have their intermediate axis normal to the parent layering. This agrees with regional tectonic studies, which suggest that Cipollino verde structures formed by local constrictional non-coaxial flow. Sheath fold cross-section geometry, exposed on the surface of a plate or outcrop, is found to be independent of the intersection angle of the fold structure with the studied plane. Consequently, a single surface cannot be used as an indicator of the three-dimensional geometry of transected sheath folds.

Effect of substrate orientation on CdS homoepitaxy by molecular dynamics

DOE PAGES

Almeida, S.; Chavez, J. J.; Zhou, X. W.; ...

2016-02-10

CdS homoepitaxy growth was performed by molecular dynamics using different substrate orientations and structures in order to analyze the CdS crystallinity. As anticipated from thermodynamics of homoepitaxy, highly crystalline films with only point defects were obtained on substrates with rectangular surface geometries, including View the MathML source[112¯] zinc blende (ZB), [101¯0] wurtzite (WZ), [112¯0] WZ, [110][110] ZB, [010][010] ZB, and View the MathML source[1101110] ZB. In contrast, films grown on substrates with hexagonal surface geometries, corresponding to the [0001][0001] WZ and [111][111] ZB growth directions, showed structures with a large number of defects including; anti-sites, vacancies, stacking faults, twinning, andmore » polytypism. WZ and ZB transitions and grain boundaries are identified using a lattice identification algorithm and represented graphically in a structural map. A dislocation analysis was performed to detect, identify, and quantify linear defects within the atomistic data. Systematic simulations using different temperatures, deposition rates, and substrate polarities were perform to analyze the trends of dislocation densities on [0001][0001] WZ direction and showed persistent polytypism. As a result, the polytypism observed in the films grown on the substrates with hexagonal surface geometry is attributed to the similar formation energies of the WZ and ZB phases.« less

Free surface convection in a bounded cylindrical geometry

NASA Astrophysics Data System (ADS)

Vrentas, J. S.; Narayanan, R.; Agrawal, S. S.

1981-09-01

Surface tension-driven convection and buoyancy-driven convection in a bounded cylindrical geometry with a free surface are studied for a range of aspect ratios and Nusselt numbers. The thermal convection is in a liquid layer contained in a vertical circular cylinder with a single free boundary, the top surface, which is in contact with an inviscid gas phase. A different method is also developed for analyzing free convection problems using Green's functions, reducing the problem to the solution of an integral equation. Linear theory and some aspects of a nonlinear analysis are utilized to determine the critical Marangoni and Rayleigh numbers, the structure of the convective motion, the direction of flow, and the nature of the bifurcation branching.

Structural weights analysis of advanced aerospace vehicles using finite element analysis

NASA Technical Reports Server (NTRS)

Bush, Lance B.; Lentz, Christopher A.; Rehder, John J.; Naftel, J. Chris; Cerro, Jeffrey A.

1989-01-01

A conceptual/preliminary level structural design system has been developed for structural integrity analysis and weight estimation of advanced space transportation vehicles. The system includes a three-dimensional interactive geometry modeler, a finite element pre- and post-processor, a finite element analyzer, and a structural sizing program. Inputs to the system include the geometry, surface temperature, material constants, construction methods, and aerodynamic and inertial loads. The results are a sized vehicle structure capable of withstanding the static loads incurred during assembly, transportation, operations, and missions, and a corresponding structural weight. An analysis of the Space Shuttle external tank is included in this paper as a validation and benchmark case of the system.

Real-time in situ study of femtosecond-laser-induced periodic structures on metals by linear and nonlinear optics.

PubMed

Zhang, Jihua; He, Yizhuo; Lam, Billy; Guo, Chunlei

2017-08-21

Femtosecond-laser surface structuring on metals is investigated in real time by both fundamental and second harmonic generation (SHG) signals. The onset of surface modification and its progress can be monitored by both the fundamental and SHG probes. However, the dynamics of femtosecond-laser-induced periodic surface structures (FLIPSSs) formation can only be revealed by SHG but not fundamental because of the higher sensitivity of SHG to structural geometry on metal. Our technique provides a simple and effective way to monitor the surface modification and FLIPSS formation thresholds and allows us to obtain the optimal FLIPSS for SHG enhancement.

Geometry and surface controlled formation of nanoparticle helical ribbons

NASA Astrophysics Data System (ADS)

Pham, Jonathan; Lawrence, Jimmy; Lee, Dong; Grason, Gregory; Emrick, Todd; Crosby, Alfred

2013-03-01

Helical structures are interesting because of their space efficiency, mechanical tunability and everyday uses in both the synthetic and natural world. In general, the mechanisms governing helix formation are limited to bilayer material systems and chiral molecular structures. However, in a special range of dimensions where surface energy dominates (i.e. high surface to volume ratio), geometry rather than specific materials can drive helical formation of thin asymmetric ribbons. In an evaporative assembly technique called flow coating, based from the commonly observed coffee ring effect, we create nanoparticle ribbons possessing non-rectangular nanoscale cross-sections. When released into a liquid medium of water, interfacial tension between the asymmetric ribbon and water balances with the elastic cost of bending to form helices with a preferred radius of curvature and a minimum pitch. We demonstrate that this is a universal mechanism that can be used with a wide range of materials, such as quantum dots, metallic nanoparticles, or polymers. Nanoparticle helical ribbons display excellent structural integrity with spring-like characteristics and can be extended high strains.

Silver nanoparticle deposition on inverse opal SiO2 films embedded in protective polypropylene micropits for SERS applications

NASA Astrophysics Data System (ADS)

Ammosova, Lena; Ankudze, Bright; Philip, Anish; Jiang, Yu; Pakkanen, Tuula T.; Pakkanen, Tapani A.

2018-01-01

Common methods to fabricate surface enhanced Raman scattering (SERS) substrates with controlled micro-nanohierarchy are often complex and expensive. In this study, we demonstrate a simple and cost effective method to fabricate SERS substrates with complex geometries. Microworking robot structuration is used to pattern a polypropylene (PP) substrate with micropits, facilitating protective microenvironment for brittle SiO2 inverse opal (IO) structure. Hierarchical SiO2 IO patterns were obtained using polystyrene (PS) spheres as a sacrificial template, and were selectively embedded into the hydrophilized PP micropits. The same microworking robot technique was subsequently used to deposit silver nanoparticle ink into the SiO2 IO cavities. The fabricated multi-level micro-nanohierarchy surface was studied to enhance Raman scattering of the 4-aminothiophenol (4-ATP) analyte molecule. The results show that the SERS performance of the micro-nanohierarchical substrate increases significantly the Raman scattering intensity compared to substrates with structured 2D surface geometries.

Scanning moiré and spatial-offset phase-stepping for surface inspection of structures

NASA Astrophysics Data System (ADS)

Yoneyama, S.; Morimoto, Y.; Fujigaki, M.; Ikeda, Y.

2005-06-01

In order to develop a high-speed and accurate surface inspection system of structures such as tunnels, a new surface profile measurement method using linear array sensors is studied. The sinusoidal grating is projected on a structure surface. Then, the deformed grating is scanned by linear array sensors that move together with the grating projector. The phase of the grating is analyzed by a spatial offset phase-stepping method to perform accurate measurement. The surface profile measurements of the wall with bricks and the concrete surface of a structure are demonstrated using the proposed method. The change of geometry or fabric of structures and the defects on structure surfaces can be detected by the proposed method. It is expected that the surface profile inspection system of tunnels measuring from a running train can be constructed based on the proposed method.

Application of interface waves for near surface damage detection in hybrid structures

NASA Astrophysics Data System (ADS)

Jahanbin, M.; Santhanam, S.; Ihn, J.-B.; Cox, A.

2017-04-01

Guided waves are acoustic waves that are guided by boundaries. Depending on the structural geometry, guided waves can either propagate between boundaries, known as plate waves, or propagate on the surface of the objects. Many different types of surface waves exist based on the material property of the boundary. For example Rayleigh wave in solid - air, Scholte wave in solid - liquid, Stoneley in solid - solid interface and many other different forms like Love wave on inhomogeneous surfaces, creeping waves, etc. This research work is demonstrating the application of surface and interface waves for detection of interfacial damages in hybrid bonded structures.

Static force fields simulations of reduced CeO2 (110) surface: Structure and adsorption of H2O molecule

NASA Astrophysics Data System (ADS)

Vives, Serge; Meunier, Cathy

2018-02-01

The CeO2(110) surface properties are largely involved in the catalysis, energy and biological phenomenon. The Static Force Fields simulations are able to describe large atomic systems surface even if no information on the electronic structure can be obtained. We employ those simulations to study the formation of the neutral 2 CeCe‧ VO•• cluster. We focus on seven different cluster configurations and find that the defect formation energy is the lower for the 1N-2N configurations. Two geometries are possible, as it is the case for the ab initio studies, the in plane and the more stable bridging one. We evidence the modifications of the surface energy and the Potential Energy Surface due to the presence of the 2 CeCe‧ VO•• defect. The physical adsorption of a water molecule is calculated and the geometry described for all the cluster configurations. The H2O molecule physisorption stabilizes the Ce(110) surface and the presence of the 2 CeCe‧ VO•• defect increases this effect.

Hydration structure of the α-chymotrypsin substrate binding pocket: the impact of constrained geometry

NASA Astrophysics Data System (ADS)

Carey, Christina; Cheng, Yuen-Kit; Rossky, Peter J.

2000-08-01

The concave substrate binding pocket of α-chymotrypsin binds specifically hydrophobic side chains. In order to understand the hydration structure present in the absence of substrate, and elucidate the character of the solvent displaced on binding, molecular dynamics computer simulation of the solvent in a fully hydrated protein has been carried out and analyzed. The pocket is found to be characterized in terms of a mixed polar and apolar macromolecular surface. It is shown that the simulated solvent structure within it is spatially consistent with that seen via crystallography. The solvent structure is energetically characterized by large losses in hydrogen bonding among solvent molecules except at the mouth of the pocket where exposure to bulk-like solvent is possible. The loss in hydrogen bonding is attributed to the highly constrained geometry available to the solvent, preventing formation of a hydrogen bonding network, with only partial compensation by interactions with the macromolecular surface. The solvent displacement concomitant with substrate binding will therefore be associated with a large enthalpic driving force. This result is at the extreme of a continuum of variable cases of "hydrophobic" hydration, which differ most basically in surface curvature. These range from convex solute surfaces, inducing clathrate-like structures, with negligible hydrogen bond loss, to flat surfaces with significant interfacial loss, to the present concave case with hydrogen bonding losses exceeding 50%.

Combining 3D human in vitro methods for a 3Rs evaluation of novel titanium surfaces in orthopaedic applications.

PubMed

Stevenson, G; Rehman, S; Draper, E; Hernández-Nava, E; Hunt, J; Haycock, J W

2016-07-01

In this study, we report on a group of complementary human osteoblast in vitro test methods for the preclinical evaluation of 3D porous titanium surfaces. The surfaces were prepared by additive manufacturing (electron beam melting [EBM]) and plasma spraying, allowing the creation of complex lattice surface geometries. Physical properties of the surfaces were characterized by SEM and profilometry and 3D in vitro cell culture using human osteoblasts. Primary human osteoblast cells were found to elicit greater differences between titanium sample surfaces than an MG63 osteoblast-like cell line, particularly in terms of cell survival. Surface morphology was associated with higher osteoblast metabolic activity and mineralization on rougher titanium plasma spray coated surfaces than smoother surfaces. Differences in osteoblast survival and metabolic activity on titanium lattice structures were also found, despite analogous surface morphology at the cellular level. 3D confocal microscopy identified osteoblast organization within complex titanium surface geometries, adhesion, spreading, and alignment to the biomaterial strut geometries. Mineralized nodule formation throughout the lattice structures was also observed, and indicative of early markers of bone in-growth on such materials. Testing methods such as those presented are not traditionally considered by medical device manufacturers, but we suggest have value as an increasingly vital tool in efficiently translating pre-clinical studies, especially in balance with current regulatory practice, commercial demands, the 3Rs, and the relative merits of in vitro and in vivo studies. Biotechnol. Bioeng. 2016;113: 1586-1599. © 2015 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc. © 2015 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc.

The Impact of the Rock Mass Deformation on Geometric Changes of a Historical Chimney in the Salt Mine of Bochnia

NASA Astrophysics Data System (ADS)

Szafarczyk, Anna; Gawałkiewicz, Rafał

2018-03-01

There are many ways of the geometry measurement of slim objects, with the application of geodetic and photogrammetric methods. A modern solution in the diagnostics of slim objects is the application of laser scanning, with the use of a scanner of a scanning total station. The point cloud, obtained from the surface of the scanned object gives the possibility of generating not only information on structural surface deformations, but also facilitates obtaining the data on the geometry of the axis of the building, as a basic indicator of the characteristics of its deformation. The cause of the change in the geometry of slim objects is the impact of many external and internal factors. These objects are located in the areas of working or closed underground mines. They can be impacted by the ground and they can face the results of the convergence of cavities. A specific structure of the salt rock mass causes subsequent convergence of the post-exploitation cavities, which has the influence on the behaviour of the terrain surface and the related objects. The authors analysed the impact of the changes in the rock mass and the surface on the changes of the industrial chimney in the Bochnia Salt Mine.

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.

Application of Tessellation in Architectural Geometry Design

NASA Astrophysics Data System (ADS)

Chang, Wei

2018-06-01

Tessellation plays a significant role in architectural geometry design, which is widely used both through history of architecture and in modern architectural design with the help of computer technology. Tessellation has been found since the birth of civilization. In terms of dimensions, there are two- dimensional tessellations and three-dimensional tessellations; in terms of symmetry, there are periodic tessellations and aperiodic tessellations. Besides, some special types of tessellations such as Voronoi Tessellation and Delaunay Triangles are also included. Both Geometry and Crystallography, the latter of which is the basic theory of three-dimensional tessellations, need to be studied. In history, tessellation was applied into skins or decorations in architecture. The development of Computer technology enables tessellation to be more powerful, as seen in surface control, surface display and structure design, etc. Therefore, research on the application of tessellation in architectural geometry design is of great necessity in architecture studies.

Enhanced heterogeneous ice nucleation by special surface geometry

PubMed Central

Bi, Yuanfei; Cao, Boxiao; Li, Tianshu

2017-01-01

The freezing of water typically proceeds through impurity-mediated heterogeneous nucleation. Although non-planar geometry generically exists on the surfaces of ice nucleation centres, its role in nucleation remains poorly understood. Here we show that an atomically sharp, concave wedge can further promote ice nucleation with special wedge geometries. Our molecular analysis shows that significant enhancements of ice nucleation can emerge both when the geometry of a wedge matches the ice lattice and when such lattice match does not exist. In particular, a 45° wedge is found to greatly enhance ice nucleation by facilitating the formation of special topological defects that consequently catalyse the growth of regular ice. Our study not only highlights the active role of defects in nucleation but also suggests that the traditional concept of lattice match between a nucleation centre and crystalline lattice should be extended to include a broader match with metastable, non-crystalline structural motifs. PMID:28513603

Enhanced heterogeneous ice nucleation by special surface geometry.

PubMed

Bi, Yuanfei; Cao, Boxiao; Li, Tianshu

2017-05-17

The freezing of water typically proceeds through impurity-mediated heterogeneous nucleation. Although non-planar geometry generically exists on the surfaces of ice nucleation centres, its role in nucleation remains poorly understood. Here we show that an atomically sharp, concave wedge can further promote ice nucleation with special wedge geometries. Our molecular analysis shows that significant enhancements of ice nucleation can emerge both when the geometry of a wedge matches the ice lattice and when such lattice match does not exist. In particular, a 45° wedge is found to greatly enhance ice nucleation by facilitating the formation of special topological defects that consequently catalyse the growth of regular ice. Our study not only highlights the active role of defects in nucleation but also suggests that the traditional concept of lattice match between a nucleation centre and crystalline lattice should be extended to include a broader match with metastable, non-crystalline structural motifs.

Flow over a Biomimetic Surface Roughness Microgeometry

NASA Astrophysics Data System (ADS)

Warncke Lang, Amy; Hidalgo, Pablo; Westcott, Matthew

2006-11-01

Certain species of sharks (e.g. shortfin mako and common hammerhead) have a skin structure that could result in a bristling of their denticles (scales) during increased swimming speeds (Bechert, D. W., Bruse, M., Hage, W. and Meyer, R. 2000, Fluid mechanics of biological surfaces and their technological application. Naturwissenschaften 80:157-171). This unique surface geometry results in a three-dimensional array of cavities* (d-type roughness geometry) forming within the surface and has been given the acronym MAKO (Micro-roughness Array for Kinematic Optimization). Possible mechanisms leading to drag reduction over the shark's body by this unique roughness geometry include separation control thereby reducing pressure drag, skin friction reduction (via the `micro-air bearing' effect first proposed by Bushnell (AIAA 83-0227)), as well as possible transition delay in the boundary layer. Initial work is confined to scaling up the geometry from 0.2 mm on the shark skin to 2 cm, with a scaling down in characteristic velocity from 10 - 20 m/s to 10 - 20 cm/s for laminar flow boundary layer water tunnel studies. Support for this research by NSF SGER grant CTS-0630489 and a University of Alabama RAC grant is gratefully acknowledged. * Patent pending.

The Role of Surface Water for the Branching Geometry of Mars' Channel Networks

NASA Astrophysics Data System (ADS)

Seybold, H. F.; Rothman, D.; Kirchner, J. W.

2016-12-01

The controversy over the origin of Mars' channel networks is almost as old as their discovery 150 years ago. In recent decades, new Mars probe missions have revealed detailed network structures, and new studies suggest that Mars once had an active hydrologic cycle. But how this water flowed and how it could have carved these huge channel networks remains unclear. A recent analysis of high-resolution data for the Continental United States suggests that climate leaves a characteristic imprint in the branching geometry of stream networks: arid regions dominated by overland or near-surface flows have much narrower branching angles than humid regions with greater groundwater recharge. Based on this result we analyze the channel networks of Mars, and find that their geometry resembles those created by near-surface and overland flows on Earth. This result gives additional support to the hypothesis that Mars once had a more active hydrologic cycle, with liquid water flowing over its surface.

Analysis of diffusion in curved surfaces and its application to tubular membranes.

PubMed

Klaus, Colin James Stockdale; Raghunathan, Krishnan; DiBenedetto, Emmanuele; Kenworthy, Anne K

2016-12-01

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. © 2016 Klaus, Raghunathan, et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study

PubMed Central

2017-01-01

Layered transition-metal chalcogenides have emerged as a fascinating new class of materials for catalysis. Here, we present periodic density functional theory (DFT) calculations of the adsorption of thiophene and the direct desulfurization reaction pathways on the (001), (011), and (111) surfaces of layered FeS. The fundamental aspects of the thiophene adsorption, including the initial adsorption geometries, adsorption energies, structural parameters, and electronic properties, are presented. From the calculated adsorption energies, we show that the flat adsorption geometries, wherein the thiophene molecule forms multiple π-bonds with the FeS surfaces, are energetically more favorable than the upright adsorption geometries, with the strength of adsorption decreasing in the order FeS(111) > FeS(011) > FeS(001). The adsorption of the thiophene onto the reactive (011) and (111) surfaces is shown to be characterized by charge transfer from the interacting Fe d-band to the π-system of the thiophene molecule, which causes changes of the intramolecular structure including loss of aromaticity and elongation of the C–S bonds. The thermodynamic and kinetic analysis of the elementary steps involved in the direct desulfurization of thiophene on the reactive FeS surfaces is also presented. Direct desulfurization of thiophene occurs preferentially on the (111) surface, as reflected by the overall exothermic reaction energy calculated for the process (ER = −0.15 eV), with an activation energy of 1.58 eV. PMID:29348782

Spectroscopic determination of surface geometry: Ti(0001)-H(1×1)

NASA Astrophysics Data System (ADS)

Feibelman, Peter J.; Hamann, D. R.

1980-02-01

The electronic structure of a Ti(0001) film covered by a monolayer of H is shown to depend strongly on the location of the H atom in the surface unit cell. Best agreement with experiment is found with the H's in three-fold sites, 0.8 a.u. outside the outer Ti layer. In this geometry the H atoms "heal" the surface-the clean Ti(0001) surface state near the Fermi level is removed and the outer layer d-like local density of states (LDOS) is quite similar to that of the interior. Additionally, the calculated work function is 4.0 eV and an H-derived peak in the calculated LDOS appears 5 eV below EF, in agreement with photoemission measurements.

Ethene adsorption and dehydrogenation on clean and oxygen precovered Ni(111) studied by high resolution x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Lorenz, M. P. A.; Fuhrmann, T.; Streber, R.; Bayer, A.; Bebensee, F.; Gotterbarm, K.; Kinne, M.; Tränkenschuh, B.; Zhu, J. F.; Papp, C.; Denecke, R.; Steinrück, H.-P.

2010-07-01

The adsorption and thermal evolution of ethene (ethylene) on clean and oxygen precovered Ni(111) was investigated with high resolution x-ray photoelectron spectroscopy using synchrotron radiation at BESSY II. The high resolution spectra allow to unequivocally identify the local environment of individual carbon atoms. Upon adsorption at 110 K, ethene adsorbs in a geometry, where the two carbon atoms within the intact ethene molecule occupy nonequivalent sites, most likely hollow and on top; this new result unambiguously solves an old puzzle concerning the adsorption geometry of ethene on Ni(111). On the oxygen precovered surface a different adsorption geometry is found with both carbon atoms occupying equivalent hollow sites. Upon heating ethene on the clean surface, we can confirm the dehydrogenation to ethine (acetylene), which adsorbs in a geometry, where both carbon atoms occupy equivalent sites. On the oxygen precovered surface dehydrogenation of ethene is completely suppressed. For the identification of the adsorbed species and the quantitative analysis the vibrational fine structure of the x-ray photoelectron spectra was analyzed in detail.

Control of preexisting faults and near-surface diapirs on geometry and kinematics of fold-and-thrust belts (Internal Prebetic, Eastern Betic Cordillera)

NASA Astrophysics Data System (ADS)

Pedrera, Antonio; Marín-Lechado, Carlos; Galindo-Zaldívar, Jesús; García-Lobón, José Luis

2014-07-01

We have determined, for the first time, the 3D geometry of a sector of the eastern Internal Prebetic comprised between Parcent and Altea diapirs, combining structural, borehole and multichannel seismic reflection data. The tectonic structure of the Jurassic-Cretaceous carbonate series is characterized by regional ENE-WSW fold-and-thrusts that interact with oblique N-S and WNW-ESE folds, detached over Triassic evaporites and clays. The structural style comprises box-shape anticlines, and N-vergent anticlines with vertical to overturned limbs frequently bordered by reverse and strike-slip faults. The anticlines surround a triangular broad synclinal structure, the Tárbena basin, filled by a late Oligocene to Tortonian sedimentary sequence that recorded folding and thrusting history. The location and geometrical characteristics of fold-and-thrusts may be controlled by the positive inversion of pre-existing Mesozoic normal faults, and by the position and shape of near-surface diapirs composed of Triassic rocks. Therefore, we propose an initial near-surface diapir emplacement of Triassic evaporitic rocks driven by late Jurassic to early Cretaceous rifting of the southern Iberian paleomargin. Thrusting and folding started during the latest Oligocene (∼28-23 Ma) roughly orthogonal to the NW-directed shortening. Deformation migrated to the south during Aquitanian (∼23-20 Ma), when tectonic inversion implied the left-lateral transpressive reactivation of N-S striking former normal faults and right-lateral/reverse reactivation of inherited WNW-ESE faults. We show two mechanisms driving the extrusion of the diapirs during contraction: lateral migration of a pre-existing near-surface diapir associated with dextral transpression; and squeezing of a previous near-surface diapir at the front of an anticline. Our study underlines the value of 3D geological modeling to characterize geometry and kinematics of complex fold-and-thrust belts influenced by preexisting faults and near-surface diapirs.

Benchmarking surface selective vacuum ultraviolet and thermal postprocessing of thermoplastics for ultrasmooth 3-D-printed micro-optics

NASA Astrophysics Data System (ADS)

Kirchner, Robert; Chidambaram, Nachiappan; Schift, Helmut

2018-04-01

State-of-the-art, polymeric, refractive micro-optics simultaneously require an ultrasmooth three-dimensional (3-D) surface and a precise geometry for excellent optical performance with minimal stray light. In earlier work, we have established a surface finishing process for thermoplastic polymer master structures that is only effective on the surface and does not affect the designed optical geometry, thus enabling polishing without touching. Therewith, the high curvature corners of a 50-μm-tall optical diffuser device were maintained while the surface roughness was reduced to about 10-nm root mean square. For this, 3-D master structures were first fabricated by direct write laser-lithography with two-photon polymerization. The master structures were replicated into poly(methyl methacrylate) through a poly(dimethyl siloxane) intermediate replication stamp. Finally, all structures were surface-polished by selective high-energy photon exposure and thermal postprocessing. In this work, we focus on the comparison of the surface smoothening using either postprocessing or dedicated direct writing strategies. For this comparison, strategies for modifying the exposed voxel size and the writing discretization being the primary source of roughness were tested by sweeping the laser exposure dose for two different resist materials and objectives. In conclusion, the postprocessing smoothening resulted in a lower roughness compared to a direct writing strategy-even when 50-nm vertical discretization steps were used-and still enabled 10 times shorter writing times.

Micro and sub-micron surface structuring of AZ31 by laser re-melting and dimpling

NASA Astrophysics Data System (ADS)

Furlan, Valentina; Demir, Ali Gökhan; Previtali, Barbara

2015-12-01

In this work, the use of ns-pulsed fibre laser for surface structuring of AZ31 Mg alloy is investigated. Surface re-melting was employed to change surface morphology, especially in terms of surface roughness. Dimpling by percussion microdrilling was investigated to control the hole geometry.. With surface remelting mono-directional and homogeneous surfaces were obtained with Fl<500 J/cm2. Above 500 J/cm2 particle generation was observed, which induced sub-micron structure growth with nano-fibrous features. Moreover, surface roughness could be controlled below the initial value and much higher. With dimpling, transformation from gentle to strong ablation was observed at F0=10.3 J/cm2. XRD analysis was employed to link oxide growth to the surface morphology. Tensile tests were carried out to assess the damage on the mechanical properties after surface structuring.

Wrinkle surface instability of an inhomogeneous elastic block with graded stiffness

NASA Astrophysics Data System (ADS)

Yang, Shengyou; Chen, Yi-chao

2017-04-01

Surface instabilities have been studied extensively for both homogeneous materials and film/substrate structures but relatively less for materials with continuously varying properties. This paper studies wrinkle surface instability of a graded neo-Hookean block with exponentially varying modulus under plane strain by using the linear bifurcation analysis. We derive the first variation condition for minimizing the potential energy functional and solve the linearized equations of equilibrium to find the necessary conditions for surface instability. It is found that for a homogeneous block or an inhomogeneous block with increasing modulus from the surface, the critical stretch for surface instability is 0.544 (0.456 strain), which is independent of the geometry and the elastic modulus on the surface of the block. This critical stretch coincides with that reported by Biot (1963 Appl. Sci. Res. 12, 168-182. (doi:10.1007/BF03184638)) 53 years ago for the onset of wrinkle instabilities in a half-space of homogeneous neo-Hookean materials. On the other hand, for an inhomogeneous block with decreasing modulus from the surface, the critical stretch for surface instability ranges from 0.544 to 1 (0-0.456 strain), depending on the modulus gradient, and the length and height of the block. This sheds light on the effects of the material inhomogeneity and structural geometry on surface instability.

Highly Transparent Water-Repelling Surfaces based on Biomimetic Hierarchical Structure

NASA Astrophysics Data System (ADS)

Wooh, Sanghyuk; Koh, Jai; Yoon, Hyunsik; Char, Kookheon

2013-03-01

Nature is a great source of inspiration for creating unique structures with special functions. The representative examples of water-repelling surfaces in nature, such as lotus leaves, rose petals, and insect wings, consist of an array of bumps (or long hairs) and nanoscale surface features with different dimension scales. Herein, we introduced a method of realizing multi-dimensional hierarchical structures and water-repellancy of the surfaces with different drop impact scenarios. The multi-dimensional hierarchical structures were fabricated by soft imprinting method with TiO2 nanoparticle pastes. In order to achieve the enhanced hydrophobicity, fluorinated moieties were attached to the etched surfaces to lower the surface energy. As a result, super-hydrophobic surfaces with high transparency were realized (over 176° water contact angle), and for further investigation, these hierarchical surfaces with different drop impact scenarios were characterized by varying the impact speed, drop size, and the geometry of the surfaces.

Geometry and kinematics of adhesive wear in brittle strike-slip fault zones

NASA Astrophysics Data System (ADS)

Swanson, Mark T.

2005-05-01

Detailed outcrop surface mapping in Late Paleozoic cataclastic strike-slip faults of coastal Maine shows that asymmetric sidewall ripouts, 0.1-200 m in length, are a significant component of many mapped faults and an important wall rock deformation mechanism during faulting. The geometry of these structures ranges from simple lenses to elongate slabs cut out of the sidewalls of strike-slip faults by a lateral jump of the active zone of slip during adhesion along a section of the main fault. The new irregular trace of the active fault after this jump creates an indenting asperity that is forced to plow through the adjoining wall rock during continued adhesion or be cut off by renewed motion along the main section of the fault. Ripout translation during adhesion sets up the structural asymmetry with trailing extensional and leading contractional ends to the ripout block. The inactive section of the main fault trace at the trailing end can develop a 'sag' or 'half-graben' type geometry due to block movement along the scallop-shaped connecting ramp to the flanking ripout fault. Leading contractional ramps can develop 'thrust' type imbrication and forces the 'humpback' geometry to the ripout slab due to distortion of the inactive main fault surface by ripout translation. Similar asymmetric ripout geometries are recognized in many other major crustal scale strike-slip fault zones worldwide. Ripout structures in the 5-500 km length range can be found on the Atacama fault system of northern Chile, the Qujiang and Xiaojiang fault zones in western China, the Yalakom-Hozameen fault zone in British Columbia and the San Andreas fault system in southern California. For active crustal-scale faults the surface expression of ripout translation includes a coupled system of extensional trailing ramps as normal oblique-slip faults with pull-apart basin sedimentation and contractional leading ramps as oblique thrust or high angle reverse faults with associated uplift and erosion. The sidewall ripout model, as a mechanism for adhesive wear during fault zone deformation, can be useful in studies of fault zone geometry, kinematics and evolution from outcrop- to crustal-scales.

Microbial mutualism at a distance: The role of geometry in diffusive exchanges

NASA Astrophysics Data System (ADS)

Peaudecerf, François J.; Bunbury, Freddy; Bhardwaj, Vaibhav; Bees, Martin A.; Smith, Alison G.; Goldstein, Raymond E.; Croze, Ottavio A.

2018-02-01

The exchange of diffusive metabolites is known to control the spatial patterns formed by microbial populations, as revealed by recent studies in the laboratory. However, the matrices used, such as agarose pads, lack the structured geometry of many natural microbial habitats, including in the soil or on the surfaces of plants or animals. Here we address the important question of how such geometry may control diffusive exchanges and microbial interaction. We model mathematically mutualistic interactions within a minimal unit of structure: two growing reservoirs linked by a diffusive channel through which metabolites are exchanged. The model is applied to study a synthetic mutualism, experimentally parametrized on a model algal-bacterial co-culture. Analytical and numerical solutions of the model predict conditions for the successful establishment of remote mutualisms, and how this depends, often counterintuitively, on diffusion geometry. We connect our findings to understanding complex behavior in synthetic and naturally occurring microbial communities.

Controls on Early-Rift Geometry: New Perspectives From the Bilila-Mtakataka Fault, Malawi

NASA Astrophysics Data System (ADS)

Hodge, M.; Fagereng, Å.; Biggs, J.; Mdala, H.

2018-05-01

We use the ˜110-km long Bilila-Mtakataka fault in the amagmatic southern East African Rift, Malawi, to investigate the controls on early-rift geometry at the scale of a major border fault. Morphological variations along the 14 ± 8-m high scarp define six 10- to 40-km long segments, which are either foliation parallel or oblique to both foliation and the current regional extension direction. As the scarp is neither consistently parallel to foliation nor well oriented for the current regional extension direction, we suggest that the segmented surface expression is related to the local reactivation of well-oriented weak shallow fabrics above a broadly continuous structure at depth. Using a geometrical model, the geometry of the best fitting subsurface structure is consistent with the local strain field from recent seismicity. In conclusion, within this early-rift, preexisting weaknesses only locally control border fault geometry at subsurface.

Design principles of hair-like structures as biological machines

PubMed Central

2018-01-01

Hair-like structures are prevalent throughout biology and frequently act to sense or alter interactions with an organism's environment. The overall shape of a hair is simple: a long, filamentous object that protrudes from the surface of an organism. This basic design, however, can confer a wide range of functions, owing largely to the flexibility and large surface area that it usually possesses. From this simple structural basis, small changes in geometry, such as diameter, curvature and inter-hair spacing, can have considerable effects on mechanical properties, allowing functions such as mechanosensing, attachment, movement and protection. Here, we explore how passive features of hair-like structures, both individually and within arrays, enable diverse functions across biology. Understanding the relationships between form and function can provide biologists with an appreciation for the constraints and possibilities on hair-like structures. Additionally, such structures have already been used in biomimetic engineering with applications in sensing, water capture and adhesion. By examining hairs as a functional mechanical unit, geometry and arrangement can be rationally designed to generate new engineering devices and ideas. PMID:29848593

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.

Static Aeroelastic Analysis with an Inviscid Cartesian Method

NASA Technical Reports Server (NTRS)

Rodriguez, David L.; Aftosmis, Michael J.; Nemec, Marian; Smith, Stephen C.

2014-01-01

An embedded-boundary Cartesian-mesh flow solver is coupled with a three degree-offreedom structural model to perform static, aeroelastic analysis of complex aircraft geometries. The approach solves the complete system of aero-structural equations using a modular, loosely-coupled strategy which allows the lower-fidelity structural model to deform the highfidelity CFD model. The approach uses an open-source, 3-D discrete-geometry engine to deform a triangulated surface geometry according to the shape predicted by the structural model under the computed aerodynamic loads. The deformation scheme is capable of modeling large deflections and is applicable to the design of modern, very-flexible transport wings. The interface is modular so that aerodynamic or structural analysis methods can be easily swapped or enhanced. This extended abstract includes a brief description of the architecture, along with some preliminary validation of underlying assumptions and early results on a generic 3D transport model. The final paper will present more concrete cases and validation of the approach. Preliminary results demonstrate convergence of the complete aero-structural system and investigate the accuracy of the approximations used in the formulation of the structural model.

Mesoscopic modeling of structural and thermodynamic properties of fluids confined by rough surfaces.

PubMed

Terrón-Mejía, Ketzasmin A; López-Rendón, Roberto; Gama Goicochea, Armando

2015-10-21

The interfacial and structural properties of fluids confined by surfaces of different geometries are studied at the mesoscopic scale using dissipative particle dynamics simulations in the grand canonical ensemble. The structure of the surfaces is modeled by a simple function, which allows us to simulate readily different types of surfaces through the choice of three parameters only. The fluids we have modeled are confined either by two smooth surfaces or by symmetrically and asymmetrically structured walls. We calculate structural and thermodynamic properties such as the density, temperature and pressure profiles, as well as the interfacial tension profiles for each case and find that a structural order-disorder phase transition occurs as the degree of surface roughness increases. However, the magnitude of the interfacial tension is insensitive to the structuring of the surfaces and depends solely on the magnitude of the solid-fluid interaction. These results are important for modern nanotechnology applications, such as in the enhanced recovery of oil, and in the design of porous materials with specifically tailored properties.

Superhydrophobic, carbon-infiltrated carbon nanotubes on Si and 316L stainless steel with tunable geometry

NASA Astrophysics Data System (ADS)

Stevens, Kimberly A.; Esplin, Christian D.; Davis, Taylor M.; Butterfield, D. Jacob; Ng, Philip S.; Bowden, Anton E.; Jensen, Brian D.; Iverson, Brian D.

2018-05-01

The use of carbon nanotubes to create superhydrophobic coatings has been considered due to their ability to offer a relatively uniform nanostructure. However, carbon nanotubes (CNTs) may be considered delicate with a typical diameter of tens of nanometers for a multi-walled CNT; as-grown carbon nanotubes often require the addition of a thin-film hydrophobic coating to render them superhydrophobic. Furthermore, fine control over the diameter of the as-grown CNTs or the overall nanostructure is difficult. This work demonstrates the utility of using carbon infiltration to layer amorphous carbon on multi-walled nanotubes to improve structural integrity and achieve superhydrophobic behavior with tunable geometry. These carbon-infiltrated carbon nanotube (CICNT) surfaces exhibit an increased number of contact points between neighboring tubes, resulting in a composite structure with improved mechanical stability. Additionally, the native surface can be rendered superhydrophobic with a vacuum pyrolysis treatment, with contact angles as high as 160° and contact angle hysteresis on the order of 1°. The CICNT diameter, static contact angle, sliding angle, and contact angle hysteresis were examined for varying levels of carbon-infiltration to determine the effect of infiltration on superhydrophobicity. The same superhydrophobic behavior and tunable geometry were also observed with CICNTs grown directly on stainless steel without an additional catalyst layer. The ability to tune the geometry while maintaining superhydrophobic behavior offers significant potential in condensation heat transfer, anti-icing, microfluidics, anti-microbial surfaces, and other bio-applications where control over the nanostructure is beneficial.

Emergent Geometry from Entropy and Causality

NASA Astrophysics Data System (ADS)

Engelhardt, Netta

In this thesis, we investigate the connections between the geometry of spacetime and aspects of quantum field theory such as entanglement entropy and causality. This work is motivated by the idea that spacetime geometry is an emergent phenomenon in quantum gravity, and that the physics responsible for this emergence is fundamental to quantum field theory. Part I of this thesis is focused on the interplay between spacetime and entropy, with a special emphasis on entropy due to entanglement. In general spacetimes, there exist locally-defined surfaces sensitive to the geometry that may act as local black hole boundaries or cosmological horizons; these surfaces, known as holographic screens, are argued to have a connection with the second law of thermodynamics. Holographic screens obey an area law, suggestive of an association with entropy; they are also distinguished surfaces from the perspective of the covariant entropy bound, a bound on the total entropy of a slice of the spacetime. This construction is shown to be quite general, and is formulated in both classical and perturbatively quantum theories of gravity. The remainder of Part I uses the Anti-de Sitter/ Conformal Field Theory (AdS/CFT) correspondence to both expand and constrain the connection between entanglement entropy and geometry. The AdS/CFT correspondence posits an equivalence between string theory in the "bulk" with AdS boundary conditions and certain quantum field theories. In the limit where the string theory is simply classical General Relativity, the Ryu-Takayanagi and more generally, the Hubeny-Rangamani-Takayanagi (HRT) formulae provide a way of relating the geometry of surfaces to entanglement entropy. A first-order bulk quantum correction to HRT was derived by Faulkner, Lewkowycz and Maldacena. This formula is generalized to include perturbative quantum corrections in the bulk at any (finite) order. Hurdles to spacetime emergence from entanglement entropy as described by HRT and its quantum generalizations are discussed, both at the classical and perturbatively quantum limits. In particular, several No Go Theorems are proven, indicative of a conclusion that supplementary approaches or information may be necessary to recover the full spacetime geometry. Part II of this thesis involves the relation between geometry and causality, the property that information cannot travel faster than light. Requiring this of any quantum field theory results in constraints on string theory setups that are dual to quantum field theories via the AdS/CFT correspondence. At the level of perturbative quantum gravity, it is shown that causality in the field theory constraints the causal structure in the bulk. At the level of nonperturbative quantum string theory, we find that constraints on causal signals restrict the possible ways in which curvature singularities can be resolved in string theory. Finally, a new program of research is proposed for the construction of bulk geometry from the divergences of correlation functions in the dual field theory. This divergence structure is linked to the causal structure of the bulk and of the field theory.

3DSEM++: Adaptive and intelligent 3D SEM surface reconstruction.

PubMed

Tafti, Ahmad P; Holz, Jessica D; Baghaie, Ahmadreza; Owen, Heather A; He, Max M; Yu, Zeyun

2016-08-01

Structural analysis of microscopic objects is a longstanding topic in several scientific disciplines, such as biological, mechanical, and materials sciences. The scanning electron microscope (SEM), as a promising imaging equipment has been around for decades to determine the surface properties (e.g., compositions or geometries) of specimens by achieving increased magnification, contrast, and resolution greater than one nanometer. Whereas SEM micrographs still remain two-dimensional (2D), many research and educational questions truly require knowledge and facts about their three-dimensional (3D) structures. 3D surface reconstruction from SEM images leads to remarkable understanding of microscopic surfaces, allowing informative and qualitative visualization of the samples being investigated. In this contribution, we integrate several computational technologies including machine learning, contrario methodology, and epipolar geometry to design and develop a novel and efficient method called 3DSEM++ for multi-view 3D SEM surface reconstruction in an adaptive and intelligent fashion. The experiments which have been performed on real and synthetic data assert the approach is able to reach a significant precision to both SEM extrinsic calibration and its 3D surface modeling. Copyright © 2016 Elsevier Ltd. All rights reserved.

Synthesis, Surface Studies, Composition and Structural Characterization of CdSe, Core/Shell, and Biologically Active Nanocrystals

PubMed Central

Rosenthal, Sandra J.; McBride, James; Pennycook, Stephen J.; Feldman, Leonard C.

2011-01-01

Nanostructures, with their very large surface to volume ratio and their non-planar geometry, present an important challenge to surface scientists. New issues arise as to surface characterization, quantification and interface formation. This review summarizes the current state of the art in the synthesis, composition, surface and interface control of CdSe nanocrystal systems, one of the most studied and useful nanostructures. PMID:21479151

Acoustic emission source location in composite structure by Voronoi construction using geodesic curve evolution.

PubMed

Gangadharan, R; Prasanna, G; Bhat, M R; Murthy, C R L; Gopalakrishnan, S

2009-11-01

Conventional analytical/numerical methods employing triangulation technique are suitable for locating acoustic emission (AE) source in a planar structure without structural discontinuities. But these methods cannot be extended to structures with complicated geometry, and, also, the problem gets compounded if the material of the structure is anisotropic warranting complex analytical velocity models. A geodesic approach using Voronoi construction is proposed in this work to locate the AE source in a composite structure. The approach is based on the fact that the wave takes minimum energy path to travel from the source to any other point in the connected domain. The geodesics are computed on the meshed surface of the structure using graph theory based on Dijkstra's algorithm. By propagating the waves in reverse virtually from these sensors along the geodesic path and by locating the first intersection point of these waves, one can get the AE source location. In this work, the geodesic approach is shown more suitable for a practicable source location solution in a composite structure with arbitrary surface containing finite discontinuities. Experiments have been conducted on composite plate specimens of simple and complex geometry to validate this method.

Simultaneous multiple view high resolution surface geometry acquisition using structured light and mirrors.

PubMed

Basevi, Hector R A; Guggenheim, James A; Dehghani, Hamid; Styles, Iain B

2013-03-25

Knowledge of the surface geometry of an imaging subject is important in many applications. This information can be obtained via a number of different techniques, including time of flight imaging, photogrammetry, and fringe projection profilometry. Existing systems may have restrictions on instrument geometry, require expensive optics, or require moving parts in order to image the full surface of the subject. An inexpensive generalised fringe projection profilometry system is proposed that can account for arbitrarily placed components and use mirrors to expand the field of view. It simultaneously acquires multiple views of an imaging subject, producing a cloud of points that lie on its surface, which can then be processed to form a three dimensional model. A prototype of this system was integrated into an existing Diffuse Optical Tomography and Bioluminescence Tomography small animal imaging system and used to image objects including a mouse-shaped plastic phantom, a mouse cadaver, and a coin. A surface mesh generated from surface capture data of the mouse-shaped plastic phantom was compared with ideal surface points provided by the phantom manufacturer, and 50% of points were found to lie within 0.1mm of the surface mesh, 82% of points were found to lie within 0.2mm of the surface mesh, and 96% of points were found to lie within 0.4mm of the surface mesh.

An optimal design of wind turbine and ship structure based on neuro-response surface method

NASA Astrophysics Data System (ADS)

Lee, Jae-Chul; Shin, Sung-Chul; Kim, Soo-Young

2015-07-01

The geometry of engineering systems affects their performances. For this reason, the shape of engineering systems needs to be optimized in the initial design stage. However, engineering system design problems consist of multi-objective optimization and the performance analysis using commercial code or numerical analysis is generally time-consuming. To solve these problems, many engineers perform the optimization using the approximation model (response surface). The Response Surface Method (RSM) is generally used to predict the system performance in engineering research field, but RSM presents some prediction errors for highly nonlinear systems. The major objective of this research is to establish an optimal design method for multi-objective problems and confirm its applicability. The proposed process is composed of three parts: definition of geometry, generation of response surface, and optimization process. To reduce the time for performance analysis and minimize the prediction errors, the approximation model is generated using the Backpropagation Artificial Neural Network (BPANN) which is considered as Neuro-Response Surface Method (NRSM). The optimization is done for the generated response surface by non-dominated sorting genetic algorithm-II (NSGA-II). Through case studies of marine system and ship structure (substructure of floating offshore wind turbine considering hydrodynamics performances and bulk carrier bottom stiffened panels considering structure performance), we have confirmed the applicability of the proposed method for multi-objective side constraint optimization problems.

Accuracy assessment of 3D bone reconstructions using CT: an intro comparison.

PubMed

Lalone, Emily A; Willing, Ryan T; Shannon, Hannah L; King, Graham J W; Johnson, James A

2015-08-01

Computed tomography provides high contrast imaging of the joint anatomy and is used routinely to reconstruct 3D models of the osseous and cartilage geometry (CT arthrography) for use in the design of orthopedic implants, for computer assisted surgeries and computational dynamic and structural analysis. The objective of this study was to assess the accuracy of bone and cartilage surface model reconstructions by comparing reconstructed geometries with bone digitizations obtained using an optical tracking system. Bone surface digitizations obtained in this study determined the ground truth measure for the underlying geometry. We evaluated the use of a commercially available reconstruction technique using clinical CT scanning protocols using the elbow joint as an example of a surface with complex geometry. To assess the accuracies of the reconstructed models (8 fresh frozen cadaveric specimens) against the ground truth bony digitization-as defined by this study-proximity mapping was used to calculate residual error. The overall mean error was less than 0.4 mm in the cortical region and 0.3 mm in the subchondral region of the bone. Similarly creating 3D cartilage surface models from CT scans using air contrast had a mean error of less than 0.3 mm. Results from this study indicate that clinical CT scanning protocols and commonly used and commercially available reconstruction algorithms can create models which accurately represent the true geometry. Copyright © 2015 IPEM. Published by Elsevier Ltd. All rights reserved.

Sheet-like chiro-optical material designs based C(Y) surfaces

NASA Astrophysics Data System (ADS)

Saba, M.; Robisch, A.-L.; Thiel, M.; Hess, O.; Schroeder-Turk, Gerd E.

2017-04-01

A spatial structure for which mirror reflection cannot be represented by rotations and translations is chiral. For photonic crystals and metamaterials, chirality implies the possibility of circular dichroism, that is, that the propagation of left-circularly polarized light may differ from that of right-circularly polarized light. Here we draw attention to chiral sheet- or surface-like geometries based on chiral triply-periodic minimal surfaces. Specifically we analyse two photonic crystal designs based on the C(Y) minimal surface, by band structure analysis and by scattering matrix calculations of the reflection coefficient, for high-dielectric contrasts.

Surface topographical effects on the structural growth of thick sputtered metal and alloy coatings

NASA Technical Reports Server (NTRS)

Spalvins, T.; Brainard, W. A.

1974-01-01

Thick sputtered S-Monel, silver, and 304 stainless steel coatings were deposited on mica and metal substrates with various surface finishes to investigate the structural growth of the coating by scanning electron microscopy. The geometry and the surface structure of the nodules are characterized. Compositional changes within the coating were analyzed by X-ray dispersion miscroscopy. Defects in the surface finish act as preferential nucleation sites and form isolated and complex nodules and various surface overgrowths in the coating. The nodule boundaries are very vulnerable to chemical etching, and these nodules do not disappear after full annealing. Further, they have undesirable effects on mechanical properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces.

Generalized Sheet Transition Conditions for a Metascreen—A Fishnet Metasurface

NASA Astrophysics Data System (ADS)

Holloway, Christopher L.; Kuester, Edward F.

2018-05-01

We used a multiple-scale homogenization method to derive generalized sheet transition conditions (GSTCs) for electromagnetic fields at the surface of a metascreen---a metasurface with a "fishnet" structure. These surfaces are characterized by periodically-spaced arbitrary-shaped apertures in an otherwise relatively impenetrable surface. The parameters in these GSTCs are interpreted as effective surface susceptibilities and surface porosities, which are related to the geometry of the apertures that constitute the metascreen. Finally, we emphasize the subtle but important difference between the GSTCs required for metascreens and those required for metafilms (a metasurface with a "cermet" structure, i.e., an array of isolated (non-touching) scatterers).

Planetary surface photometry and imaging: progress and perspectives.

PubMed

Goguen, Jay D

2014-10-01

Spacecraft have visited and returned many thousands of images and spectra of all of the planets, many of their moons, several asteroids, and a few comet nuclei during the golden age of planetary exploration. The signal in each pixel of each image or spectral channel is a measurement of the radiance of scattered sunlight into a specific direction. The information on the structure and composition of the surface that is contained in variation of the radiance with scattering geometry and wavelength, including polarization state, has only just begun to be exploited and is the topic of this review. The uppermost surfaces of these bodies are mainly composed of particles that are continuously generated by impacts of micrometeoroids and larger impactors. Models of light scattering by distributions of sizes and irregular shapes of particles and by closely packed particles within a surface are challenging. These are active topics of research where considerable progress has recently been made. We focus on the surfaces of bodies lacking atmospheres.These surfaces are diverse and their morphologies give evidence of their evolution by impacts and resurfacing by a variety of processes including down slope movement and electrostatic transport of particles, gravitational accumulation of debris, volatile outgassing and migration, and magnetospheric interactions. Sampling of scattering geometries and spatial resolution is constrained by spacecraft trajectories. However, the large number of archived images and spectra demand more quantitative interpretation. The scattering geometry dependence of the radiance is underutilized and promises constraints on the compositions and structure of the surface for materials that lack diagnostic wavelength dependence. The general problem is considered in terms of the lunar regolith for which samples have been returned to Earth.

Fabrication of Microfiber Patterns with Ivy Shoot-Like Geometries Using Improved Electrospinning

PubMed Central

Jeong, Young Hun; Lee, Jongwan

2016-01-01

Fibers and fibrous structures are used extensively in various fields due to their many advantages. Microfibers, as well as nanofibers, are considered to be some of the most valuable forms of advanced materials. Accordingly, various methods for fabricating microfibers have been developed. Electrospinning is a useful fabrication method for continuous polymeric nano- and microfibers with attractive merits. However, this technique has limitations in its ability to control the geometry of fibrous structures. Herein, advanced electrospinning with direct-writing functionality was used to fabricate microfiber patterns with ivy shoot-like geometries after experimentally investigating the effects of the process conditions on the fiber formation. The surface properties of the fibers were also modified by introducing nanoscale pores through the use of higher levels of humidity during the fabrication process. PMID:28773390

Fabrication of Microfiber Patterns with Ivy Shoot-Like Geometries Using Improved Electrospinning.

PubMed

Jeong, Young Hun; Lee, Jongwan

2016-04-01

Fibers and fibrous structures are used extensively in various fields due to their many advantages. Microfibers, as well as nanofibers, are considered to be some of the most valuable forms of advanced materials. Accordingly, various methods for fabricating microfibers have been developed. Electrospinning is a useful fabrication method for continuous polymeric nano- and microfibers with attractive merits. However, this technique has limitations in its ability to control the geometry of fibrous structures. Herein, advanced electrospinning with direct-writing functionality was used to fabricate microfiber patterns with ivy shoot-like geometries after experimentally investigating the effects of the process conditions on the fiber formation. The surface properties of the fibers were also modified by introducing nanoscale pores through the use of higher levels of humidity during the fabrication process.

Recent Advances in the Analysis of Spiral Bevel Gears

NASA Technical Reports Server (NTRS)

Handschuh, Robert F.

1997-01-01

A review of recent progress for the analysis of spiral bevel gears will be described. The foundation of this work relies on the description of the gear geometry of face-milled spiral bevel gears via the approach developed by Litvin. This methodology was extended by combining the basic gear design data with the manufactured surfaces using a differential geometry approach, and provides the data necessary for assembling three-dimensional finite element models. The finite element models have been utilized to conduct thermal and structural analysis of the gear system. Examples of the methods developed for thermal and structural/contact analysis are presented.

Ab initio study of the ground state surface of Cu3

NASA Technical Reports Server (NTRS)

Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Walch, Stephen P.; Laskowski, Bernard C.

1986-01-01

The ground state surface of the metallic trimer Cu3 is investigated theoretically. Relativistic and correlation effects are taken into account in ab initio computations, which are calibrated against analogous computations for the 1Sigma(g)+ state of Cu2; the results are presented in tables and analyzed. The Cu3 ground state is found to have a 2B2 C(2v) structure with angle greater than 60 deg, lying 59/cm below a 2A1 C(2v) geometry and 280/cm below the D(3h) equilateral geometry. These findings are shown to be in good agreement with the experimental measurements of Rohlfing and Valentini (1986) and their analysis (in terms of a Jahn-Teller distortion of 2E-prime equilateral-triangle geometry) by Truhlar et al. (1986).

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

Meisner, Ludmila, E-mail: llm@ispms.tsc.ru; Meisner, Stanislav, E-mail: msn@ispms.tsc.ru; Mironov, Yurii, E-mail: myp@ispms.tsc.ru

The paper considers the effects arising on X-ray diffraction patterns taken in different diffraction geometries and how these effects can be interpreted to judge structural states in NiTi near-surface regions after electron and ion beam treatment. It is shown that qualitative and quantitative analysis of phase composition, lattice parameters of main phases, elastic stress states, and their in-depth variation requires X-ray diffraction patterns in both symmetric Bragg–Brentano and asymmetric Lambot–Vassamilleta geometries with variation in X-ray wavelengths and imaging conditions (with and with no β-filter). These techniques of structural phase analysis are more efficient when the thickness of modified NiTi surfacemore » layers is 1–10 μm (after electron beam treatment) and requires special imaging conditions when the thickness of modified NiTi surface layers is no greater than 1 μm (after ion beam treatment)« less

Characterizing heterogeneous dynamics at hydrated electrode surfaces.

PubMed

Willard, Adam P; Limmer, David T; Madden, Paul A; Chandler, David

2013-05-14

In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that are standard tools for considering glassy systems. Specifically, we carry out an analysis in terms of mobility fields and distributions of persistence times and exchange times. In so doing, we show that dynamics in these systems is facilitated by transient disorder in frustrated two-dimensional hydrogen bonding networks. The frustration is the result of unfavorable geometry imposed by strong metal-water bonding. The geometry depends upon the structure of the underlying metal surface. Dynamic heterogeneity of water on the Pt 111 surface is therefore qualitatively different than that for water on the Pt 100 surface. In both cases, statistics of this ad-layer dynamic heterogeneity responds asymmetrically to applied voltage.

Characterizing heterogeneous dynamics at hydrated electrode surfaces

NASA Astrophysics Data System (ADS)

Willard, Adam P.; Limmer, David T.; Madden, Paul A.; Chandler, David

2013-05-01

In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that are standard tools for considering glassy systems. Specifically, we carry out an analysis in terms of mobility fields and distributions of persistence times and exchange times. In so doing, we show that dynamics in these systems is facilitated by transient disorder in frustrated two-dimensional hydrogen bonding networks. The frustration is the result of unfavorable geometry imposed by strong metal-water bonding. The geometry depends upon the structure of the underlying metal surface. Dynamic heterogeneity of water on the Pt 111 surface is therefore qualitatively different than that for water on the Pt 100 surface. In both cases, statistics of this ad-layer dynamic heterogeneity responds asymmetrically to applied voltage.

Advanced DPSM approach for modeling ultrasonic wave scattering in an arbitrary geometry

NASA Astrophysics Data System (ADS)

Yadav, Susheel K.; Banerjee, Sourav; Kundu, Tribikram

2011-04-01

Several techniques are used to diagnose structural damages. In the ultrasonic technique structures are tested by analyzing ultrasonic signals scattered by damages. The interpretation of these signals requires a good understanding of the interaction between ultrasonic waves and structures. Therefore, researchers need analytical or numerical techniques to have a clear understanding of the interaction between ultrasonic waves and structural damage. However, modeling of wave scattering phenomenon by conventional numerical techniques such as finite element method requires very fine mesh at high frequencies necessitating heavy computational power. Distributed point source method (DPSM) is a newly developed robust mesh free technique to simulate ultrasonic, electrostatic and electromagnetic fields. In most of the previous studies the DPSM technique has been applied to model two dimensional surface geometries and simple three dimensional scatterer geometries. It was difficult to perform the analysis for complex three dimensional geometries. This technique has been extended to model wave scattering in an arbitrary geometry. In this paper a channel section idealized as a thin solid plate with several rivet holes is formulated. The simulation has been carried out with and without cracks near the rivet holes. Further, a comparison study has been also carried out to characterize the crack. A computer code has been developed in C for modeling the ultrasonic field in a solid plate with and without cracks near the rivet holes.

Free-Surface Fluid-Object Interaction for the Large-Scale Computation of Ship Hydrodynamics Phenomena

DTIC Science & Technology

2014-05-21

simulating air-water free -surface flow, fluid-object interaction (FOI), and fluid-structure interaction (FSI) phenomena for complex geometries, and...with no limitations on the motion of the free surface, and with particular emphasis on ship hydrodynamics. The following specific research objectives...were identified for this project: 1) Development of a theoretical framework for free -surface flow, FOI and FSI that is a suitable starting point

Dynamic Geometry Capture with a Multi-View Structured-Light System

DTIC Science & Technology

2014-12-19

funding was never a problem during my studies . One of the best parts of my time at UC Berkeley has been working with colleagues within the Video and...scientific and medical applications such as quantifying improvement in physical therapy and measuring unnatural poses in ergonomic studies . Specifically... cases with limited scene texture. This direct generation of surface geometry provides us with a distinct advantage over multi-camera based systems. For

Continuous Dynamic Simulation of Nonlinear Aerodynamics/Nonlinear Structure Interaction (NANSI) for Morphing Vehicles

DTIC Science & Technology

2010-03-31

presented in the AFRL organized Aeroelastic Workshop in Sedona October 2008, and at the AVT-168 Symposium on Morphing Vehicles, Lisbon, Portugal April 2009...surface geometry. - Conventional deforming grid methods will fail at a point when the geometry change becomes large, no matter how good the method...Numb’ Martian Entry* Knudson number: Kn _ M.a GasKinetic parameter ASU . flttA TKHNOLOGY Overview • Ballute aeroelastic problem requires

Effects of local and global mechanical distortions to hypervelocity boundary layers

NASA Astrophysics Data System (ADS)

Flaherty, William P.

The response of hypervelocity boundary layers to global mechanical distortions due to concave surface curvature is examined. Surface heat transfer, visual boundary layer thickness, and pressure sensitive paint (PSP) data are obtained for a suite of models with different concave surface geometries. Results are compared to predictions using existing approximate methods. Near the leading edge, good agreement is observed, but at larger pressure gradients, predictions diverge significantly from the experimental data. Up to a factor of five underprediction is reported in regions with greatest distortion. Curve fits to the experimental data are compared with surface equations. It is demonstrated that reasonable estimates of the laminar heat flux augmentation may be obtained as a function of the local turning angle for all model geometries, even at the conditions of greatest distortion. As a means of introducing additional local distortions, vortex generators are used to impose streamwise structures into the boundary layer. The response of the large scale vortical structures to an adverse pressure gradient is investigated. For a flat plate baseline case, heat transfer augmentation at similar levels to turbulent flow is measured. For the concave geometries, increases in heat transfer by factors up to 2.6 are measured over the laminar values, though for higher turning angle cases, a relaxation to below undisturbed values is reported at turning angles between 10 and 15 degrees. The scaling of heat transfer with turning angle that is identified for the laminar boundary layer response is found to be robust even in the presence of the imposed vortex structures. PSP measurements indicated that natural streaks form over concave models even when imposed vorticity is present. Correlations found between the heat transfer and natural streak formation are discussed and indicate possible vortex interactions.

High efficiency incandescent lighting

DOEpatents

Bermel, Peter; Ilic, Ognjen; Chan, Walker R.; Musabeyoglu, Ahmet; Cukierman, Aviv Ruben; Harradon, Michael Robert; Celanovic, Ivan; Soljacic, Marin

2014-09-02

Incandescent lighting structure. The structure includes a thermal emitter that can, but does not have to, include a first photonic crystal on its surface to tailor thermal emission coupled to, in a high-view-factor geometry, a second photonic filter selected to reflect infrared radiation back to the emitter while passing visible light. This structure is highly efficient as compared to standard incandescent light bulbs.

Optimal packing size of non-ligated CdSe nanoclusters for microstructure synthesis

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

Tefera, Anteneh G.; Mochena, Mogus D.; Johnson, Elijah

2014-09-14

Structural and electrostatic properties of nanoclusters of CdSe of diameter 1–2 nm are studied with first principle calculations to determine the optimal size for synthesizing microstructures. Based on robustness of the core structure, i.e., the retention of tetrahedral geometry, hexagonal ring structure, and overall wu{sup ¨}rtzite structure to surface relaxations, we conclude that nanoclusters of ~2 nm diameter are the best candidates to form a dense microstructure with minimal interstitial space. Se-terminated surfaces retain a zigzag structure as Se atoms are pulled out and Cd atoms are pulled in due to relaxation, therefore, are best suited for inter-nanocluster formations.

Colloidal membranes: The rich confluence of geometry and liquid crystals

NASA Astrophysics Data System (ADS)

Kaplan, Cihan Nadir

A simple and experimentally realizable model system of chiral symmetry breaking is liquid-crystalline monolayers of aligned, identical hard rods. In these materials, tuning the chirality at the molecular level affects the geometry at systems level, thereby inducing a myriad of morphological transitions. This thesis presents theoretical studies motivated by the rich phenomenology of these colloidal monolayers. High molecular chirality leads to assemblages of rods exhibiting macroscopic handedness. In the first part we consider one such geometry, twisted ribbons, which are minimal surfaces to a double helix. By employing a theoretical approach that combines liquid-crystalline order with the preferred shape, we focus on the phase transition from simple flat monolayers to these twisted structures. In these monolayers, regions of broken chiral symmetry nucleate at the interfaces, as in a chiral smectic A sample. The second part particularly focuses on the detailed structure and thermodynamic stability of two types of observed interfaces, the monolayer edge and domain walls in simple flat monolayers. Both the edge and "twist-walls" are quasi-one-dimensional bands of molecular twist deformations dictated by local chiral interactions and surface energy considerations. We develop a unified theory of these interfaces by utilizing the de Gennes framework accompanied by appropriate surface energy terms. The last part turns to colloidal "cookies", which form in mixtures of rods with opposite handedness. These elegant structures are essentially flat monolayers surrounded by an array of local, three dimensional cusp defects. We reveal the thermodynamic and structural characteristics of cookies. Furthermore, cookies provide us with a simple relation to determine the intrinsic curvature modulus of our model system, an important constant associated with topological properties of membranes. Our results may have impacts on a broader class of soft thin films.

Anisotropic Laplace-Beltrami Eigenmaps: Bridging Reeb Graphs and Skeletons*

PubMed Central

Shi, Yonggang; Lai, Rongjie; Krishna, Sheila; Sicotte, Nancy; Dinov, Ivo; Toga, Arthur W.

2010-01-01

In this paper we propose a novel approach of computing skeletons of robust topology for simply connected surfaces with boundary by constructing Reeb graphs from the eigenfunctions of an anisotropic Laplace-Beltrami operator. Our work brings together the idea of Reeb graphs and skeletons by incorporating a flux-based weight function into the Laplace-Beltrami operator. Based on the intrinsic geometry of the surface, the resulting Reeb graph is pose independent and captures the global profile of surface geometry. Our algorithm is very efficient and it only takes several seconds to compute on neuroanatomical structures such as the cingulate gyrus and corpus callosum. In our experiments, we show that the Reeb graphs serve well as an approximate skeleton with consistent topology while following the main body of conventional skeletons quite accurately. PMID:21339850

Origami interleaved tube cellular materials

NASA Astrophysics Data System (ADS)

Cheung, Kenneth C.; Tachi, Tomohiro; Calisch, Sam; Miura, Koryo

2014-09-01

A novel origami cellular material based on a deployable cellular origami structure is described. The structure is bi-directionally flat-foldable in two orthogonal (x and y) directions and is relatively stiff in the third orthogonal (z) direction. While such mechanical orthotropicity is well known in cellular materials with extruded two dimensional geometry, the interleaved tube geometry presented here consists of two orthogonal axes of interleaved tubes with high interfacial surface area and relative volume that changes with fold-state. In addition, the foldability still allows for fabrication by a flat lamination process, similar to methods used for conventional expanded two dimensional cellular materials. This article presents the geometric characteristics of the structure together with corresponding kinematic and mechanical modeling, explaining the orthotropic elastic behavior of the structure with classical dimensional scaling analysis.

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.

Influence of the adsorption geometry of PTCDA on Ag(111) on the tip-molecule forces in non-contact atomic force microscopy.

PubMed

Langewisch, Gernot; Falter, Jens; Schirmeisen, André; Fuchs, Harald

2014-01-01

Perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) adsorbed on a metal surface is a prototypical organic-anorganic interface. In the past, scanning tunneling microscopy and scanning tunneling spectroscopy studies of PTCDA adsorbed on Ag(111) have revealed differences in the electronic structure of the molecules depending on their adsorption geometry. In the work presented here, high-resolution 3D force spectroscopy measurements at cryogenic temperatures were performed on a surface area that contained a complete PTCDA unit cell with the two possible geometries. At small tip-molecule separations, deviations in the tip-sample forces were found between the two molecule orientations. These deviations can be explained by a different electron density in both cases. This result demonstrates the capability of 3D force spectroscopy to detect even small effects in the electronic properties of organic adsorbates.

Afterlife of a Drop Impacting a Liquid Pool

NASA Astrophysics Data System (ADS)

Saha, Abhishek; Wei, Yanju; Tang, Xiaoyu; Law, Chung K.

2017-11-01

Drop impact on liquid pool is ubiquitous in industrial processes, such as inkjet printing and spray coating. While merging of drop with the impacted liquid surface is essential to facilitate the printing and coating processes, it is the afterlife of this merged drop and associated mixing which control the quality of the printed or coated surface. In this talk we will report an experimental study on the structural evolution of the merged droplet inside the liquid pool. First, we will analyze the depth of the crater created on the pool surface by the impacted drop for a range of impact inertia, and we will derive a scaling relation and the associated characteristic time-scale. Next, we will focus on the toroidal vortex formed by the moving drop inside the liquid pool and assess the characteristic time and length scales of the penetration process. The geometry of the vortex structure which qualitatively indicates the degree of mixedness will also be discussed. Finally, we will present the results from experiments with various viscosities to demonstrate the role of viscous dissipation on the geometry and structure formed by the drop. This work is supported by the Army Research Office and the Xerox Corporation.

Femtosecond laser-induced ripple patterns for homogenous nanostructuring of pyrolytic carbon heart valve implant

NASA Astrophysics Data System (ADS)

Stępak, Bogusz; Dzienny, Paulina; Franke, Volker; Kunicki, Piotr; Gotszalk, Teodor; Antończak, Arkadiusz

2018-04-01

Laser-induced periodic surface structures (LIPSS) are highly periodic wavy surface features which are frequently smaller than incident light wavelength that bring possibility of nanostructuring of many materials. In this paper the possibility of using them to homogeneously structure the surface of artificial heart valve made of PyC was examined. By changing laser irradiation parameters such like energy density and pulse separation the most suitable conditions were established for 1030 nm wavelength. A wide spectrum of periodicities and geometries was obtained. Interesting side effects like creating a thin shell-like layer were observed. Modified surfaces were examined using EDX and Raman spectroscopy to determine change in elemental composition of surface.

Encapsulated Annealing: Enhancing the Plasmon Quality Factor in Lithographically–Defined Nanostructures

PubMed Central

Bosman, Michel; Zhang, Lei; Duan, Huigao; Tan, Shu Fen; Nijhuis, Christian A.; Qiu, Cheng–Wei; Yang, Joel K. W.

2014-01-01

Lithography provides the precision to pattern large arrays of metallic nanostructures with varying geometries, enabling systematic studies and discoveries of new phenomena in plasmonics. However, surface plasmon resonances experience more damping in lithographically–defined structures than in chemically–synthesized nanoparticles of comparable geometries. Grain boundaries, surface roughness, substrate effects, and adhesion layers have been reported as causes of plasmon damping, but it is difficult to isolate these effects. Using monochromated electron energy–loss spectroscopy (EELS) and numerical analysis, we demonstrate an experimental technique that allows the study of these effects individually, to significantly reduce the plasmon damping in lithographically–defined structures. We introduce a method of encapsulated annealing that preserves the shape of polycrystalline gold nanostructures, while their grain-boundary density is reduced. We demonstrate enhanced Q–factors in lithographically–defined nanostructures, with intrinsic damping that matches the theoretical Drude damping limit. PMID:24986023

The role of confined collagen geometry in decreasing nucleation energy barriers to intrafibrillar mineralization.

PubMed

Kim, Doyoon; Lee, Byeongdu; Thomopoulos, Stavros; Jun, Young-Shin

2018-03-06

Mineralization of collagen is critical for the mechanical functions of bones and teeth. Calcium phosphate nucleation in collagenous structures follows distinctly different patterns in highly confined gap regions (nanoscale confinement) than in less confined extrafibrillar spaces (microscale confinement). Although the mechanism(s) driving these differences are still largely unknown, differences in the free energy for nucleation may explain these two mineralization behaviors. Here, we report on experimentally obtained nucleation energy barriers to intra- and extrafibrillar mineralization, using in situ X-ray scattering observations and classical nucleation theory. Polyaspartic acid, an extrafibrillar nucleation inhibitor, increases interfacial energies between nuclei and mineralization fluids. In contrast, the confined gap spaces inside collagen fibrils lower the energy barrier by reducing the reactive surface area of nuclei, decreasing the surface energy penalty. The confined gap geometry, therefore, guides the two-dimensional morphology and structure of bioapatite and changes the nucleation pathway by reducing the total energy barrier.

Microscopic insight into the bilateral formation of carbon spirals from a symmetric iron core

PubMed Central

Shiozawa, Hidetsugu; Bachmatiuk, Alicja; Stangl, Andreas; Cox, David C.; Silva, S. Ravi P.; Rümmeli, Mark H.; Pichler, Thomas

2013-01-01

Mirrored carbon-spirals have been produced from pressured ferrocene via the bilateral extrusion of the spiral pairs from an iron core. A parametric plot of the surface geometry displays the fractal growth of the conical helix made with the logarithmic spiral. Electron microscopy studies show the core is a crystalline cementite which grows and transforms its shape from spherical to biconical as it extrudes two spiralling carbon arms. In a cross section along the arms we observe graphitic flakes arranged in a herringbone structure, normal to which defects propagate. Local-wave-pattern analysis reveals nanoscale defect patterns of two-fold symmetry around the core. The data suggest that the bilateral growth originates from a globular cementite crystal with molten surfaces and the nano-defects shape emerging hexagonal carbon into a fractal structure. Understanding and knowledge obtained provide a basis for the controlled production of advanced carbon materials with designed geometries. PMID:23670649

Geometry and active tectonics of the Los Osos-Hosgri Fault Intersection in Estero Bay, CA: Reconciling seismicity patterns with near-surface geology

NASA Astrophysics Data System (ADS)

Watt, J. T.; Hardebeck, J.; Johnson, S. Y.; Kluesner, J.

2016-12-01

Characterizing active structures within structurally complex fault intersections is essential for unraveling the deformational history and for assessing the importance of fault intersections in regional earthquake hazard assessments. We employ an integrative, multi-scale geophysical approach to describe the 3D geometry and active tectonics of the offshore Los Osos fault (LOF) in Estero Bay, California. The shallow structure of the LOF, as imaged with multibeam and high-resolution seismic-reflection data, reveals a complex west-diverging zone of active faulting that bends into and joins the Hosgri fault. The down-dip geometry of the LOF as revealed by gravity, magnetic, and industry multi-channel seismic data, is vertical to steeply-dipping and varies along strike. As the LOF extends offshore, it is characterized by SW-side-up motion on a series of W-NW trending, steeply SW-dipping reverse faults. The LOF bends to the north ( 23°) as it approaches the Hosgri fault and dips steeply to the NE along a magnetic basement block. Inversion of earthquake focal mechanisms within Estero Bay yields maximum compressive stress axes that are near-horizontal and trend approximately N15E. This trend is consistent with dextral strike-slip faulting along NW-SE trending structures such as the Hosgri fault and northern LOF, and oblique dip-slip motion along the W-NW trending section of the LOF. Notably, NW-SE trending structures illuminated by seismicity in Estero Bay coincide with, but also appear to cross-cut, LOF structures imaged in the near-surface. We suggest this apparent disconnect reflects ongoing fault reorganization at a dynamic and inherently unstable fault intersection, in which the seismicity reflects active deformation at depth that is not clearly expressed in the near-surface geology. Direct connectivity between the Hosgri and Los Osos faults suggests a combined earthquake rupture is possible; however, the geometrical complexity along the offshore LOF may limit the extent of rupture.

Design, fabrication and testing of hierarchical micro-optical structures and systems

NASA Astrophysics Data System (ADS)

Cannistra, Aaron Thomas

Micro-optical systems are becoming essential components in imaging, sensing, communications, computing, and other applications. Optically based designs are replacing electronic, chemical and mechanical systems for a variety of reasons, including low power consumption, reduced maintenance, and faster operation. However, as the number and variety of applications increases, micro-optical system designs are becoming smaller, more integrated, and more complicated. Micro and nano-optical systems found in nature, such as the imaging systems found in many insects and crustaceans, can have highly integrated optical structures that vary in size by orders of magnitude. These systems incorporate components such as compound lenses, anti-reflective lens surface structuring, spectral filters, and polarization selective elements. For animals, these hybrid optical systems capable of many optical functions in a compact package have been repeatedly selected during the evolutionary process. Understanding the advantages of these designs gives motivation for synthetic optical systems with comparable functionality. However, alternative fabrication methods that deviate from conventional processes are needed to create such systems. Further complicating the issue, the resulting device geometry may not be readily compatible with existing measurement techniques. This dissertation explores several nontraditional fabrication techniques for optical components with hierarchical geometries and measurement techniques to evaluate performance of such components. A micro-transfer molding process is found to produce high-fidelity micro-optical structures and is used to fabricate a spectral filter on a curved surface. By using a custom measurement setup we demonstrate that the spectral filter retains functionality despite the nontraditional geometry. A compound lens is fabricated using similar fabrication techniques and the imaging performance is analyzed. A spray coating technique for photoresist application to curved surfaces combined with interference lithography is also investigated. Using this technique, we generate polarizers on curved surfaces and measure their performance. This work furthers an understanding of how combining multiple optical components affects the performance of each component, the final integrated devices, and leads towards realization of biomimetically inspired imaging systems.

Geometry of α-Cr2O3(0001) as a Function of H2O Partial Pressure

PubMed Central

2015-01-01

Surface X-ray diffraction has been employed to elucidate the surface structure of α-Cr2O3(0001) as a function of water partial pressure at room temperature. In ultra high vacuum, following exposure to ∼2000 Langmuir of H2O, the surface is found to be terminated by a partially occupied double layer of chromium atoms. No evidence of adsorbed OH/H2O is found, which is likely due to either adsorption at minority sites, or X-ray induced desorption. At a water partial pressure of ∼30 mbar, a single OH/H2O species is found to be bound atop each surface Cr atom. This adsorption geometry does not agree with that predicted by ab initio calculations, which may be a result of some differences between the experimental conditions and those modeled. PMID:26877825

Optimum structural sizing of conventional cantilever and joined wing configurations using equivalent beam models

NASA Technical Reports Server (NTRS)

Hajela, P.; Chen, J. L.

1986-01-01

The present paper describes an approach for the optimum sizing of single and joined wing structures that is based on representing the built-up finite element model of the structure by an equivalent beam model. The low order beam model is computationally more efficient in an environment that requires repetitive analysis of several trial designs. The design procedure is implemented in a computer program that requires geometry and loading data typically available from an aerodynamic synthesis program, to create the finite element model of the lifting surface and an equivalent beam model. A fully stressed design procedure is used to obtain rapid estimates of the optimum structural weight for the beam model for a given geometry, and a qualitative description of the material distribution over the wing structure. The synthesis procedure is demonstrated for representative single wing and joined wing structures.

Geometrically controlled snapping transitions in shells with curved creases.

PubMed

Bende, Nakul Prabhakar; Evans, Arthur A; Innes-Gold, Sarah; Marin, Luis A; Cohen, Itai; Hayward, Ryan C; Santangelo, Christian D

2015-09-08

Curvature and mechanics are intimately connected for thin materials, and this coupling between geometry and physical properties is readily seen in folded structures from intestinal villi and pollen grains to wrinkled membranes and programmable metamaterials. While the well-known rules and mechanisms behind folding a flat surface have been used to create deployable structures and shape transformable materials, folding of curved shells is still not fundamentally understood. Shells naturally deform by simultaneously bending and stretching, and while this coupling gives them great stability for engineering applications, it makes folding a surface of arbitrary curvature a nontrivial task. Here we discuss the geometry of folding a creased shell, and demonstrate theoretically the conditions under which it may fold smoothly. When these conditions are violated we show, using experiments and simulations, that shells undergo rapid snapping motion to fold from one stable configuration to another. Although material asymmetry is a proven mechanism for creating this bifurcation of stability, for the case of a creased shell, the inherent geometry itself serves as a barrier to folding. We discuss here how two fundamental geometric concepts, creases and curvature, combine to allow rapid transitions from one stable state to another. Independent of material system and length scale, the design rule that we introduce here explains how to generate snapping transitions in arbitrary surfaces, thus facilitating the creation of programmable multistable materials with fast actuation capabilities.

Surface and local electronic structure modification of MgO film using Zn and Fe ion implantation

NASA Astrophysics Data System (ADS)

Singh, Jitendra Pal; Lim, Weon Cheol; Lee, Jihye; Song, Jonghan; Lee, Ik-Jae; Chae, Keun Hwa

2018-02-01

Present work is motivated to investigate the surface and local electronic structure modifications of MgO films implanted with Zn and Fe ions. MgO film was deposited using radio frequency sputtering method. Atomic force microscopy measurements exhibit morphological changes associated with implantation. Implantation of Fe and Zn ions leads to the reduction of co-ordination geometry of Mg2+ ions in host lattice. The effect is dominant at bulk of film rather than surface as the large concentration of implanted ions resides inside bulk. Moreover, the evidences of interaction among implanted ions and oxygen are not being observed using near edge fine structure measurements.

New method for springback compensation for the stamping of sheet metal components

NASA Astrophysics Data System (ADS)

Birkert, A.; Hartmann, B.; Straub, M.

2017-09-01

The need for car body structures of higher strength and at the same time lower weight results in serious challenges for the stamping process. Especially the use of high strength steel and aluminium sheets is causing growing problems with regard to elastic springback. To produce accurate parts the stamping dies must be adjusted more or less by the amount of the springback in the opposite direction. For this purpose well-known software solutions use the Displacement Adjustment Method or algorithms which are closely based on that method. A crucial issue of this method is that the generated die surfaces deviate from those of the target geometry with regard to surface area. A new Physical Compensation Method has been developed and validated which takes geometrical nonlinearity into account and creates compensated die geometries with equal-in-area die surfaces. In contrast to the standard mathematical/geometrical approach, the adjusted geometry is generated by a physical approach, which makes use of the virtual part stiffness. Hereby the target geometry is being deformed mechanically in a virtual process based on the springback simulation results by applying virtual forces in an additional elastic simulation. By doing so better part dimensions can be obtained in less tool optimization loops.

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.

A theoretical approach to the relationship between wettability and surface microstructures of epidermal cells and structured cuticles of flower petals

PubMed Central

Taneda, Haruhiko; Watanabe-Taneda, Ayako; Chhetry, Rita; Ikeda, Hiroshi

2015-01-01

Background and Aims The epidermal surface of a flower petal is composed of convex cells covered with a structured cuticle, and the roughness of the surface is related to the wettability of the petal. If the surface remains wet for an excessive amount of time the attractiveness of the petal to floral visitors may be impaired, and adhesion of pathogens may be promoted. However, it remains unclear how the epidermal cells and structured cuticle contribute to surface wettability of a petal. Methods By considering the additive effects of the epidermal cells and structured cuticle on petal wettability, a thermodynamic model was developed to predict the wetting mode and contact angle of a water droplet at a minimum free energy. Quantitative relationships between petal wettability and the geometries of the epidermal cells and the structured cuticle were then estimated. Measurements of contact angles and anatomical traits of petals were made on seven herbaceous species commonly found in alpine habitats in eastern Nepal, and the measured wettability values were compared with those predicted by the model using the measured geometries of the epidermal cells and structured cuticles. Key Results The model indicated that surface wettability depends on the height and interval between cuticular steps, and on a height-to-width ratio for epidermal cells if a thick hydrophobic cuticle layer covers the surface. For a petal epidermis consisting of lenticular cells, a repellent surface results when the cuticular step height is greater than 0·85 µm and the height-to-width ratio of the epidermal cells is greater than 0·3. For an epidermis consisting of papillate cells, a height-to-width ratio of greater than 1·1 produces a repellent surface. In contrast, if the surface is covered with a thin cuticle layer, the petal is highly wettable (hydrophilic) irrespective of the roughness of the surface. These predictions were supported by the measurements of petal wettability made on flowers of alpine species. Conclusions The results indicate that surface roughness caused by epidermal cells and a structured cuticle produces a wide range of petal wettability, and that this can be successfully modelled using a thermodynamic approach. PMID:25851137

Nanorice Particles: Hybrid Plasmonic Nanostructures

NASA Technical Reports Server (NTRS)

Le, Fei (Inventor); Halas, Nancy J. (Inventor); Nordlander, Peter (Inventor); Brandl, Daniel (Inventor); Wang, Hui (Inventor)

2010-01-01

A new hybrid nanoparticle, i.e., a nanorice particle, which combines the intense local fields of nanorods with the highly tunable plasmon resonances of nanoshells, is described herein. This geometry possesses far greater structural tunability than previous nanoparticle geometries, along with much larger local field enhancements and far greater sensitivity as a surface plasmon resonance (SPR) nanosensor than presently known dielectric-conductive material nanostructures. In an embodiment, a nanoparticle comprises a prolate spheroid-shaped core having a first aspect ratio. The nanoparticle also comprises at least one conductive shell surrounding said prolate spheroid-shaped core. The nanoparticle has a surface plasmon resonance sensitivity of at least 600 nm RIU(sup.-1). Methods of making the disclosed nanorice particles are also described herein.

Resolving carbonate platform geometries on the Island of Bonaire, Caribbean Netherlands through semi-automatic GPR facies classification

NASA Astrophysics Data System (ADS)

Bowling, R. D.; Laya, J. C.; Everett, M. E.

2018-07-01

The study of exposed carbonate platforms provides observational constraints on regional tectonics and sea-level history. In this work Miocene-aged carbonate platform units of the Seroe Domi Formation are investigated on the island of Bonaire, located in the Southern Caribbean. Ground penetrating radar (GPR) was used to probe near-surface structural geometries associated with these lithologies. The single cross-island transect described herein allowed for continuous mapping of geologic structures on kilometre length scales. Numerical analysis was applied to the data in the form of k-means clustering of structure-parallel vectors derived from image structure tensors. This methodology enables radar facies along the survey transect to be semi-automatically mapped. The results provide subsurface evidence to support previous surficial and outcrop observations, and reveal complex stratigraphy within the platform. From the GPR data analysis, progradational clinoform geometries were observed on the northeast side of the island which support the tectonics and depositional trends of the region. Furthermore, several leeward-side radar facies are identified which correlate to environments of deposition conducive to dolomitization via reflux mechanisms.

Static Aeroelastic Analysis with an Inviscid Cartesian Method

NASA Technical Reports Server (NTRS)

Rodriguez, David L.; Aftosmis, Michael J.; Nemec, Marian; Smith, Stephen C.

2014-01-01

An embedded-boundary, Cartesian-mesh flow solver is coupled with a three degree-of-freedom structural model to perform static, aeroelastic analysis of complex aircraft geometries. The approach solves a nonlinear, aerostructural system of equations using a loosely-coupled strategy. An open-source, 3-D discrete-geometry engine is utilized to deform a triangulated surface geometry according to the shape predicted by the structural model under the computed aerodynamic loads. The deformation scheme is capable of modeling large deflections and is applicable to the design of modern, very-flexible transport wings. The coupling interface is modular so that aerodynamic or structural analysis methods can be easily swapped or enhanced. After verifying the structural model with comparisons to Euler beam theory, two applications of the analysis method are presented as validation. The first is a relatively stiff, transport wing model which was a subject of a recent workshop on aeroelasticity. The second is a very flexible model recently tested in a low speed wind tunnel. Both cases show that the aeroelastic analysis method produces results in excellent agreement with experimental data.

Resolving Carbonate Platform Geometries on the Island of Bonaire, Caribbean Netherlands through Semi-Automatic GPR Facies Classification

NASA Astrophysics Data System (ADS)

Bowling, R. D.; Laya, J. C.; Everett, M. E.

2018-05-01

The study of exposed carbonate platforms provides observational constraints on regional tectonics and sea-level history. In this work Miocene-aged carbonate platform units of the Seroe Domi Formation are investigated, on the island of Bonaire, located in the Southern Caribbean. Ground penetrating radar (GPR) was used to probe near-surface structural geometries associated with these lithologies. The single cross-island transect described herein allowed for continuous mapping of geologic structures on kilometer length scales. Numerical analysis was applied to the data in the form of k-means clustering of structure-parallel vectors derived from image structure tensors. This methodology enables radar facies along the survey transect to be semi-automatically mapped. The results provide subsurface evidence to support previous surficial and outcrop observations, and reveal complex stratigraphy within the platform. From the GPR data analysis, progradational clinoform geometries were observed on the northeast side of the island which supports the tectonics and depositional trends of the region. Furthermore, several leeward-side radar facies are identified which correlate to environments of deposition conducive to dolomitization via reflux mechanisms.

Morphological Properties of Siloxane-Hydrogel Contact Lens Surfaces.

PubMed

Stach, Sebastian; Ţălu, Ştefan; Trabattoni, Silvia; Tavazzi, Silvia; Głuchaczka, Alicja; Siek, Patrycja; Zając, Joanna; Giovanzana, Stefano

2017-04-01

The aim of this study was to quantitatively characterize the micromorphology of contact lens (CL) surfaces using atomic force microscopy (AFM) and multifractal analysis. AFM and multifractal analysis were used to characterize the topography of new and worn siloxane-hydrogel CLs made of Filcon V (I FDA group). CL surface roughness was studied by AFM in intermittent-contact mode, in air, on square areas of 25 and 100 μm 2 , by using a Nanoscope V MultiMode (Bruker). Detailed surface characterization of the surface topography was obtained using statistical parameters of 3-D (three-dimensional) surface roughness, in accordance with ISO 25178-2: 2012. Before wear, the surface was found to be characterized by out-of-plane and sharp structures, whilst after a wear of 8 h, two typical morphologies were observed. One morphology (sharp type) has a similar aspect as the unworn CLs and the other morphology (smooth type) is characterized by troughs and bumpy structures. The analysis of the AFM images revealed a multifractal geometry. The generalized dimension D q and the singularity spectrum f(α) provided quantitative values that characterize the local scale properties of CL surface geometry at nanometer scale. Surface statistical parameters deduced by multifractal analysis can be used to assess the CL micromorphology and can be used by manufacturers in developing CLs with improved surface characteristics. These parameters can also be used in understanding the tribological interactions of the back surface of the CL with the corneal surface and the front surface of the CL with the under-surface of the eyelid (friction, wear, and micro-elastohydrodynamic lubrication at a nanometer scale).

Derivation of Reliable Geometries in QM Calculations of DNA Structures: Explicit Solvent QM/MM and Restrained Implicit Solvent QM Optimizations of G-Quadruplexes.

PubMed

Gkionis, Konstantinos; Kruse, Holger; Šponer, Jiří

2016-04-12

Modern dispersion-corrected DFT methods have made it possible to perform reliable QM studies on complete nucleic acid (NA) building blocks having hundreds of atoms. Such calculations, although still limited to investigations of potential energy surfaces, enhance the portfolio of computational methods applicable to NAs and offer considerably more accurate intrinsic descriptions of NAs than standard MM. However, in practice such calculations are hampered by the use of implicit solvent environments and truncation of the systems. Conventional QM optimizations are spoiled by spurious intramolecular interactions and severe structural deformations. Here we compare two approaches designed to suppress such artifacts: partially restrained continuum solvent QM and explicit solvent QM/MM optimizations. We report geometry relaxations of a set of diverse double-quartet guanine quadruplex (GQ) DNA stems. Both methods provide neat structures without major artifacts. However, each one also has distinct weaknesses. In restrained optimizations, all errors in the target geometries (i.e., low-resolution X-ray and NMR structures) are transferred to the optimized geometries. In QM/MM, the initial solvent configuration causes some heterogeneity in the geometries. Nevertheless, both approaches represent a decisive step forward compared to conventional optimizations. We refine earlier computations that revealed sizable differences in the relative energies of GQ stems computed with AMBER MM and QM. We also explore the dependence of the QM/MM results on the applied computational protocol.

A fast mass spring model solver for high-resolution elastic objects

NASA Astrophysics Data System (ADS)

Zheng, Mianlun; Yuan, Zhiyong; Zhu, Weixu; Zhang, Guian

2017-03-01

Real-time simulation of elastic objects is of great importance for computer graphics and virtual reality applications. The fast mass spring model solver can achieve visually realistic simulation in an efficient way. Unfortunately, this method suffers from resolution limitations and lack of mechanical realism for a surface geometry model, which greatly restricts its application. To tackle these problems, in this paper we propose a fast mass spring model solver for high-resolution elastic objects. First, we project the complex surface geometry model into a set of uniform grid cells as cages through *cages mean value coordinate method to reflect its internal structure and mechanics properties. Then, we replace the original Cholesky decomposition method in the fast mass spring model solver with a conjugate gradient method, which can make the fast mass spring model solver more efficient for detailed surface geometry models. Finally, we propose a graphics processing unit accelerated parallel algorithm for the conjugate gradient method. Experimental results show that our method can realize efficient deformation simulation of 3D elastic objects with visual reality and physical fidelity, which has a great potential for applications in computer animation.

Flow Measurements over a Biomimetic Surface Roughness Microgeometry

NASA Astrophysics Data System (ADS)

Lang, Amy; Hidalgo, Pablo; Westcott, Matthew

2007-11-01

Certain species of sharks (e.g. shortfin mako) have a skin structure that results in a bristling of their denticles (scales) during increased swimming speeds. This unique surface geometry results in the formation of a 3D array of cavities* (d-type roughness geometry) within the shark skin, thus causing it to potentially act as a means of boundary layer control. Initial work is confined to scaling up the geometry from 0.2 mm on the shark skin to 2 cm, with a scaling down in characteristic velocity from 10 - 20 m/s to 10 - 20 cm/s for laminar flow boundary layer water tunnel studies over a shark skin model. The hypothesized formation of cavity vortices within the shark skin replica has been measured using DPIV. We have also shown that with the sufficient growth of a boundary layer upstream of the model (local Re = 200,000), transition is not tripped by the surface and the flow skips over the cavities. Support for this research by a NSF SGER grant (CTS-0630489), Lindbergh Foundation Grant and a University of Alabama RAC grant is gratefully acknowledged. * Patent pending.

The surface geometry of inherited joint and fracture trace patterns resulting from active and passive deformation

NASA Technical Reports Server (NTRS)

Podwysocki, M. H.; Gold, D. P.

1974-01-01

Hypothetical models are considered for detecting subsurface structure from the fracture or joint pattern, which may be influenced by the structure and propagated to the surface. Various patterns of an initially orthogonal fracture grid are modeled according to active and passive deformation mechanisms. In the active periclinal structure with a vertical axis, fracture frequency increased both over the dome and basin, and remained constant with decreasing depth to the structure. For passive periclinal features such as a reef or sand body, fracture frequency is determined by the arc of curvature and showed a reduction over the reefmound and increased over the basin.

Method of repairing discontinuity in fiberglass structures

NASA Technical Reports Server (NTRS)

Gelb, L. L.; Helbert, W. B., Jr.; Enie, R. B.; Mulliken, R. F. (Inventor)

1974-01-01

Damaged fiberglass structures are repaired by substantially filling the irregular surfaced damaged area with a liquid, self-curing resin, preferably an epoxy resin mixed with chopped fiberglass, and then applying to the resin surface the first of several woven fiberglass swatches which has stitching in a zig-zag pattern parallel to each of its edges and a fringe of warp and fill glass fibers about the edges outward of the stitching. The method is especially applicable to repair of fiberglass rocket engine casings and is particularly advantageous since it restores the repaired fiberglass structure to substantially its original strength without any significant changes in the geometry or mass of the structure.

Structural Joint with Multi-Axis Load Carrying Capability

NASA Technical Reports Server (NTRS)

Wu, K. Chauncey (Inventor); Martin, Robert A. (Inventor); Stewart, Brian K. (Inventor)

2017-01-01

A structural joint is formed of a mandrel having a plurality of bumps and dimples formed thereon which is fitted into a sleeve. The bumps and dimples form a non-circular geometry at all points along the length of the mandrel. The bumps are defined by surfaces which have 1st and 2nd derivatives which are continuous.

Geometries for roughness shapes in laminar flow

NASA Technical Reports Server (NTRS)

Holmes, Bruce J. (Inventor); Martin, Glenn L. (Inventor); Domack, Christopher S. (Inventor); Obara, Clifford J. (Inventor); Hassan, Ahmed A. (Inventor)

1986-01-01

A passive interface mechanism between upper and lower skin structures, and a leading edge structure of a laminar flow airfoil is described. The interface mechanism takes many shapes. All are designed to be different than the sharp orthogonal arrangement prevalent in the prior art. The shapes of the interface structures are generally of two types: steps away from the centerline of the airfoil with a sloping surface directed toward the trailing edge and, the other design has a gap before the sloping surface. By properly shaping the step, the critical step height is increased by more than 50% over the orthogonal edged step.

Structure-Property Relationships of Polymer Brushes in Restricted Geometries and their Utilization as Ultra-Low Lubricants

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

Kuhl, Tonya Lynn; Faller, Roland

2015-09-28

Though polymer films are widely used to modify or tailor the physical, chemical and mechanical properties of interfaces in both solid and liquid systems, the rational design of interface- or surface-active polymer modifiers has been hampered by a lack of information about the behavior and structure-property relationships of this class of molecules. This is especially true for systems in which the role of the polymer is to modify the interaction between two solid surfaces in intimate contact and under load, to cause them to be mechanically coupled (e.g. to promote adhesion and wetting) or to minimize their interaction (e.g. lubrication,more » colloidal stabilization, etc.). Detailed structural information on these systems has largely been precluded by the many difficulties and challenges associated with direct experimental measurements of polymer structure in these geometries. As a result, many practitioners have been forced to employ indirect measurements or rely wholly on theoretical modeling. This has resulted in an incomplete understanding of the structure-property relationships, which are relied upon for the rational design of improved polymer modifiers. Over the course of this current research program, we made direct measurements of the structure of polymers at the interface between two solid surfaces under confinement and elucidated the fundamental physics behind these phenomena using atomistic and coarse grained simulations. The research has potential to lead to new lubricants and wear reducing agents to improve efficiency.« less

Sealable stagnation flow geometries for the uniform deposition of materials and heat

DOEpatents

McCarty, Kevin F.; Kee, Robert J.; Lutz, Andrew E.; Meeks, Ellen

2001-01-01

The present invention employs a constrained stagnation flow geometry apparatus to achieve the uniform deposition of materials or heat. The present invention maximizes uniform fluxes of reactant gases to flat surfaces while minimizing the use of reagents and finite dimension edge effects. This results, among other things, in large area continuous films that are uniform in thickness, composition and structure which is important in chemical vapor deposition processes such as would be used for the fabrication of semiconductors.

Broadband and broadangle SPP antennas based on plasmonic crystals with linear chirp.

PubMed

Bouillard, J-S; Vilain, S; Dickson, W; Wurtz, G A; Zayats, A V

2012-01-01

Plasmonic technology relies on the coupling of light to surface electromagnetic modes on smooth or structured metal surfaces. While some applications utilise the resonant nature of surface polaritons, others require broadband characteristics. We demonstrate unidirectional and broadband plasmonic antennas with large acceptance angles based on chirped plasmonic gratings. Near-field optical measurements have been used to visualise the excitation of surface plasmon polaritons by such aperiodic structures. These weakly aperiodic plasmonic crystals allow the formation of a trapped rainbow-type effect in a two-dimensional geometry as surface polaritons of different frequencies are coherently excited in different locations over the plasmonic structure. Both the crystal's finite size and the finite lifetime of plasmonic states are crucial for the generation of broadband surface plasmon polaritons. This approach presents new opportunities for building unidirectional, broadband and broad-angle plasmonic couplers for sensing purposes, information processing, photovoltaic applications and shaping and manipulating ultrashort optical pulses.

Broadband and broadangle SPP antennas based on plasmonic crystals with linear chirp

PubMed Central

Bouillard, J.-S; Vilain, S.; Dickson, W.; Wurtz, G. A.; Zayats, A. V.

2012-01-01

Plasmonic technology relies on the coupling of light to surface electromagnetic modes on smooth or structured metal surfaces. While some applications utilise the resonant nature of surface polaritons, others require broadband characteristics. We demonstrate unidirectional and broadband plasmonic antennas with large acceptance angles based on chirped plasmonic gratings. Near-field optical measurements have been used to visualise the excitation of surface plasmon polaritons by such aperiodic structures. These weakly aperiodic plasmonic crystals allow the formation of a trapped rainbow-type effect in a two-dimensional geometry as surface polaritons of different frequencies are coherently excited in different locations over the plasmonic structure. Both the crystal's finite size and the finite lifetime of plasmonic states are crucial for the generation of broadband surface plasmon polaritons. This approach presents new opportunities for building unidirectional, broadband and broad-angle plasmonic couplers for sensing purposes, information processing, photovoltaic applications and shaping and manipulating ultrashort optical pulses. PMID:23170197

Surface topographical effects on the structural growth of thick sputtered metal and alloy coatings

NASA Technical Reports Server (NTRS)

Spalvins, T.; Brainard, W. A.

1974-01-01

Thick sputtered S-Monel, silver, and 304 stainless steel coatings were deposited on mica and metal substrates with various surface finishes to investigate the structural growth of the coating by scanning electron microscopy. The geometry and the surface structure of the nodules are characterized. Compositional changes within the coating were analyzed by X-ray dispersion microscopy. Defects in the surface finish (i.e., scratches, inclusions, etc.) act as preferential nucleation sites and form isolated and complex nodules and various surface overgrowths in the coating. The nodule boundaries are very vulnerable to chemical etching and these nodules do not disappear after full annealing. Further, they have undesirable effects on mechanical properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces. These effects are illustrated by micrographs. Nodular growth within a coating can be minimized or eliminated by reducing the surface roughness.

Mass reduction patterning of silicon-on-oxide-based micromirrors

NASA Astrophysics Data System (ADS)

Hall, Harris J.; Green, Andrew; Dooley, Sarah; Schmidt, Jason D.; Starman, LaVern A.; Langley, Derrick; Coutu, Ronald A.

2016-10-01

It has long been recognized in the design of micromirror-based optical systems that balancing static flatness of the mirror surface through structural design with the system's mechanical dynamic response is challenging. Although a variety of mass reduction approaches have been presented in the literature to address this performance trade, there has been little quantifiable comparison reported. In this work, different mass reduction approaches, some unique to the work, are quantifiably compared with solid plate thinning in both curvature and mass using commercial finite element simulation of a specific square silicon-on-insulator-based micromirror geometry. Other important considerations for micromirror surfaces, including surface profile and smoothness, are also discussed. Fabrication of one of these geometries, a two-dimensional tessellated square pattern, was performed in the presence of a 400-μm-tall central post structure using a simple single mask process. Limited experimental curvature measurements of fabricated samples are shown to correspond well with properly characterized simulation results and indicate ˜67% improvement in radius of curvature in comparison to a solid plate design of equivalent mass.

An Amino Acid Code to Define a Protein’s Tertiary Packing Surface

PubMed Central

Fraga, Keith J.; Joo, Hyun; Tsai, Jerry

2015-01-01

One difficult aspect of the protein-folding problem is characterizing the non-specific interactions that define packing in protein tertiary structure. To better understand tertiary structure, this work extends the knob-socket model by classifying the interactions of a single knob residue packed into a set of contiguous sockets, or a pocket made up of 4 or more residues. The knob-socket construct allows for a symbolic two-dimensional mapping of pockets. The two-dimensional mapping of pockets provides a simple method to investigate the variety of pocket shapes in order to understand the geometry of protein tertiary surfaces. The diversity of pocket geometries can be organized into groups of pockets that share a common core, which suggests that some interactions in pockets are ancillary to packing. Further analysis of pocket geometries displays a preferred configuration that is right-handed in α-helices and left-handed in β-sheets. The amino acid composition of pockets illustrates the importance of non-polar amino acids in packing as well as position specificity. As expected, all pocket shapes prefer to pack with hydrophobic knobs; however, knobs are not selective for the pockets they pack. Investigating side-chain rotamer preferences for certain pocket shapes uncovers no strong correlations. These findings allow a simple vocabulary based on knobs and sockets to describe protein tertiary packing that supports improved analysis, design and prediction of protein structure. PMID:26575337

Formation of self-organized domain structures with charged domain walls in lithium niobate with surface layer modified by proton exchange

NASA Astrophysics Data System (ADS)

Shur, V. Ya.; Akhmatkhanov, A. R.; Chuvakova, M. A.; Dolbilov, M. A.; Zelenovskiy, P. S.; Lobov, A. I.

2017-03-01

We have studied the self-organized dendrite domain structures appeared as a result of polarization reversal in the uniform field in lithium niobate single crystals with the artificial surface layer created by proton exchange. We have revealed the self-organized sub-micron scale dendrite domain patterns consisting of domain stripes oriented along the X crystallographic directions separated by arrays of dashed residual domains at the surface by scanning probe microscopy. Raman confocal microscopy allowed visualizing the quasi-regular dendrite domain structures with similar geometry in the vicinity of both polar surfaces. The depth of the structure was about 20 μm for Z+ polar surface and 70 μm for Z- one. According to the proposed mechanism, the dendrite structure formation at the surface was related to the ineffective screening of the residual depolarization field. The computer simulation of the structure formation based on the cellular automata model with probabilistic switching rule proved the eligibility of the proposed scheme, the simulated dendrite domain patterns at various depths being similar to the experimental ones.

Rational Design of Hyperbranched Nanowire Systems for Tunable Superomniphobic Surfaces Enabled by Atomic Layer Deposition

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

Bielinski, Ashley R.; Boban, Mathew; He, Yang

2017-01-24

A method for tunable control of geometry in hyperbranched ZnO nanowire (NW) systems is reported, which enables the rational design and fabrication of superomniphobic surfaces. Branched NWs with tunable density and orientation were grown via a sequential hydrothermal process, in which atomic layer deposition (ALD) was used for NW seeding, disruption of epitaxy, and selective blocking of NW nucleation. This approach allows for the rational design and optimization of three-level hierarchical structures, in which the geometric parameters of each level of hierarchy can be individually controlled. We demonstrate the coupled relationships between geometry and contact angle for a variety ofmore » liquids, which is supported by mathematical models of structural superomniphobicity. The highest performing superomniphobic surface was designed with three levels of hierarchy and achieved the following advancing/receding contact angles, water: 172°/170°, hexadecane: 166°/156°, octane: 162°/145°, and heptane: 160°/130°. Low surface tension liquids were shown to bounce off the surface from a height of 7 cm without breaking through and wetting. This approach demonstrates the power of ALD as an enabling technique for hierarchical materials by design, spanning the macro, micro, and nano length scales.« less

Perceptualization of geometry using intelligent haptic and visual sensing

NASA Astrophysics Data System (ADS)

Weng, Jianguang; Zhang, Hui

2013-01-01

We present a set of paradigms for investigating geometric structures using haptic and visual sensing. Our principal test cases include smoothly embedded geometry shapes such as knotted curves embedded in 3D and knotted surfaces in 4D, that contain massive intersections when projected to one lower dimension. One can exploit a touch-responsive 3D interactive probe to haptically override this conflicting evidence in the rendered images, by forcing continuity in the haptic representation to emphasize the true topology. In our work, we exploited a predictive haptic guidance, a "computer-simulated hand" with supplementary force suggestion, to support intelligent exploration of geometry shapes that will smooth and maximize the probability of recognition. The cognitive load can be reduced further when enabling an attention-driven visual sensing during the haptic exploration. Our methods combine to reveal the full richness of the haptic exploration of geometric structures, and to overcome the limitations of traditional 4D visualization.

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.

Parametric Geometry, Structured Grid Generation, and Initial Design Study for REST-Class Hypersonic Inlets

NASA Technical Reports Server (NTRS)

Ferlemann, Paul G.; Gollan, Rowan J.

2010-01-01

Computational design and analysis of three-dimensional hypersonic inlets with shape transition has been a significant challenge due to the complex geometry and grid required for three-dimensional viscous flow calculations. Currently, the design process utilizes an inviscid design tool to produce initial inlet shapes by streamline tracing through an axisymmetric compression field. However, the shape is defined by a large number of points rather than a continuous surface and lacks important features such as blunt leading edges. Therefore, a design system has been developed to parametrically construct true CAD geometry and link the topology of a structured grid to the geometry. The Adaptive Modeling Language (AML) constitutes the underlying framework that is used to build the geometry and grid topology. Parameterization of the CAD geometry allows the inlet shapes produced by the inviscid design tool to be generated, but also allows a great deal of flexibility to modify the shape to account for three-dimensional viscous effects. By linking the grid topology to the parametric geometry, the GridPro grid generation software can be used efficiently to produce a smooth hexahedral multiblock grid. To demonstrate the new capability, a matrix of inlets were designed by varying four geometry parameters in the inviscid design tool. The goals of the initial design study were to explore inviscid design tool geometry variations with a three-dimensional analysis approach, demonstrate a solution rate which would enable the use of high-fidelity viscous three-dimensional CFD in future design efforts, process the results for important performance parameters, and perform a sample optimization.

Compensation of relector antenna surface distortion using an array feed

NASA Technical Reports Server (NTRS)

Cherrette, A. R.; Acosta, R. J.; Lam, P. T.; Lee, S. W.

1988-01-01

The dimensional stability of the surface of a large reflector antenna is important when high gain or low sidelobe performance is desired. If the surface is distorted due to thermal or structural reasons, antenna performance can be improved through the use of an array feed. The design of the array feed and its relation to the surface distortion are examined. The sensitivity of antenna performance to changing surface parameters for fixed feed array geometries is also studied. This allows determination of the limits of usefulness for feed array compensation.

The atomic geometries of GaP(110) and ZnS(110) revisited - A structural ambiguity and its resolution

NASA Technical Reports Server (NTRS)

Duke, C. B.; Paton, A.; Kahn, A.

1984-01-01

The atomic geometries of GaP(110) and ZnS(110) are reexamined using the R-factor minimization procedure, developed for GaAs(110) and previously applied to GaSb(110), ZnTe(110), InAs(110), and AlP(110), to analyze experimental elastic low-energy electron diffraction intensities. Unlike most of the earlier cases, both GaP(110) and ZnS(110) exhibit two distinct minimum-Rx structures which cannot be distinguished by analysis of the shapes of the intensity profiles alone. One region of best-fit structures exhibits top-layer displacements normal to the surface characterized by a small bond-length-conserving, top-layer rotation (omega aproximately 2-3 deg), a small relaxation of the top layer away from the surface, and a 10 percent expansion of the top-layer bond length. The other region of best-fit structures is the conventional one: nearly bond-length-conserving rotations of omega = 26-28 deg in the top layer and a small (approximately 0.1 A) contraction of the uppermost layer spacing. This ambiguity may be removed, however, by consideration of the integrated beam intensities. The conventional region of structural parameters provides a decisively better description of the relative magnitudes of the integrated beam intensities and hence is the preferred structure.

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.

A basis for the analysis of surface geometry of spiral bevel gears

NASA Technical Reports Server (NTRS)

Huston, R. L.; Coy, J. J.

1983-01-01

Geometrical procedures helpful in the fundamental studies of the surface geometry of spiral bevel gears are summarized. These procedures are based upon: (1) fundamental gear geometry and kinematics as exposited by Buckingham, et al; (2) formulas developed from differential geometry; and (3) geometrical concepts developed in recent papers and reports on spiral bevel gear surface geometry. Procedures which characterize the geometry so that the surface parametric equations, the principal radii of curvature, and the meshing kinematics are systematically determined are emphasized. Initially, the focus in on theoretical, logarithmic spiral bevel gears as defined by Buckingham. The gears, however, are difficult to fabricate and are sometimes considered to be too straight. Circular-cut spiral bevel gears are an alternative to this. Surface characteristics of crown circular cut gears are analyzed.

Simple shearing flow of dry soap foams with tetrahedrally close-packed structure

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

Reinelt, Douglas A.; Kraynik, Andrew M.

2000-05-01

The microrheology of dry soap foams subjected to quasistatic, simple shearing flow is analyzed. Two different monodisperse foams with tetrahedrally close-packed (TCP) structure are examined: Weaire-Phelan (A15) and Friauf-Laves (C15). The elastic-plastic response is evaluated by using the Surface Evolver to calculate foam structures that minimize total surface area at each value of strain. The foam geometry and macroscopic stress are piecewise continuous functions of strain. The stress scales as T/V{sup 1/3}, where T is surface tension and V is cell volume. Each discontinuity corresponds to large changes in foam geometry and topology that restore equilibrium to unstable configurations thatmore » violate Plateau's laws. The instabilities occur when the length of an edge on a polyhedral foam cell vanishes. The length can tend to zero smoothly or abruptly with strain. The abrupt case occurs when a small increase in strain changes the energy profile in the neighborhood of a foam structure from a local minimum to a saddle point, which can lead to symmetry-breaking bifurcations. In general, the new structure associated with each stable solution branch results from an avalanche of local topology changes called T1 transitions. Each T1 cascade produces different cell neighbors, reduces surface energy, and provides an irreversible, film-level mechanism for plastic yield behavior. Stress-strain curves and average stresses are evaluated by examining foam orientations that admit strain-periodic behavior. For some orientations, the deformation cycle includes Kelvin cells instead of the original TCP structure; but the foam does not remain perfectly ordered. Bifurcations during subsequent T1 cascades lead to disorder and can even cause strain localization. (c) 2000 Society of Rheology.« less

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.

Direct fabrication of bio-inspired gecko-like geometries with vat polymerization additive manufacturing method

NASA Astrophysics Data System (ADS)

Davoudinejad, A.; Ribo, M. M.; Pedersen, D. B.; Islam, A.; Tosello, G.

2018-08-01

Functional surfaces have proven their potential to solve many engineering problems, attracting great interest among the scientific community. Bio-inspired multi-hierarchical micro-structures grant the surfaces with new properties, such as hydrophobicity, adhesion, unique optical properties and so on. The geometry and fabrication of these surfaces are still under research. In this study, the feasibility of using direct fabrication of microscale features by additive manufacturing (AM) processes was investigated. The investigation was carried out using a specifically designed vat photopolymerization AM machine-tool suitable for precision manufacturing at the micro dimensional scale which has previously been developed, built and validated at the Technical University of Denmark. It was shown that it was possible to replicate a simplified surface inspired by the Tokay gecko, the geometry was previously designed and replicated by a complex multi-step micromanufacturing method extracted from the literature and used as benchmark. Ultimately, the smallest printed features were analyzed by conducting a sensitivity analysis to obtain the righteous parameters in terms of layer thickness and exposure time. Moreover, two more intricate designs were fabricated with the same parameters to assess the surfaces functionality by its wettability. The surface with increased density and decreased feature size showed a water contact angle (CA) of 124°  ±  0.10°, agreeing with the Cassie–Baxter model. These results indicate the possibility of using precision AM for a rapid, easy and reliable fabrication method for functional surfaces.

Doping of the step-edge Si chain: Ag on a Si(557)-Au surface

NASA Astrophysics Data System (ADS)

Krawiec, M.; Jałochowski, M.

2010-11-01

Structural and electronic properties of monatomic Ag chains on the Au-induced, highly ordered Si(557) surface are investigated by scanning tunneling microscopy (STM)/spectroscopy and first-principles density functional theory (DFT) calculations. The STM topography data show that a small amount of Ag (0.25 ML) very weakly modifies the one-dimensional structure induced by Au atoms. However, the bias-dependent STM topography and spectroscopy point to the importance of the electronic effects in this system, which are further corroborated by the DFT calculations. The obtained results suggest that Ag atoms act as electron donors leaving the geometry of the surface almost unchanged.

Multi-stability in folded shells: non-Euclidean origami

NASA Astrophysics Data System (ADS)

Evans, Arthur

2015-03-01

Both natural and man-made structures benefit from having multiple mechanically stable states, from the quick snapping motion of hummingbird beaks to micro-textured surfaces with tunable roughness. Rather than discuss special fabrication techniques for creating bi-stability through material anisotropy, in this talk I will present several examples of how folding a structure can modify the energy landscape and thus lead to multiple stable states. Using ideas from origami and differential geometry, I will discuss how deforming a non-Euclidean surface can be done either continuously or discontinuously, and explore the effects that global constraints have on the ultimate stability of the surface.

Effects of front-surface target structures on properties of relativistic laser-plasma electrons.

PubMed

Jiang, S; Krygier, A G; Schumacher, D W; Akli, K U; Freeman, R R

2014-01-01

We report the results of a study of the role of prescribed geometrical structures on the front of a target in determining the energy and spatial distribution of relativistic laser-plasma electrons. Our three-dimensional particle-in-cell simulation studies apply to short-pulse, high-intensity laser pulses, and indicate that a judicious choice of target front-surface geometry provides the realistic possibility of greatly enhancing the yield of high-energy electrons while simultaneously confining the emission to narrow (<5°) angular cones.

DNA-Based Self-Assembly of Fluorescent Nanodiamonds.

PubMed

Zhang, Tao; Neumann, Andre; Lindlau, Jessica; Wu, Yuzhou; Pramanik, Goutam; Naydenov, Boris; Jelezko, Fedor; Schüder, Florian; Huber, Sebastian; Huber, Marinus; Stehr, Florian; Högele, Alexander; Weil, Tanja; Liedl, Tim

2015-08-12

As a step toward deterministic and scalable assembly of ordered spin arrays we here demonstrate a bottom-up approach to position fluorescent nanodiamonds (NDs) with nanometer precision on DNA origami structures. We have realized a reliable and broadly applicable surface modification strategy that results in DNA-functionalized and perfectly dispersed NDs that were then self-assembled in predefined geometries. With optical studies we show that the fluorescence properties of the nitrogen-vacancy color centers in NDs are preserved during surface modification and DNA assembly. As this method allows the nanoscale arrangement of fluorescent NDs together with other optically active components in complex geometries, applications based on self-assembled spin lattices or plasmon-enhanced spin sensors as well as improved fluorescent labeling for bioimaging could be envisioned.

Emission and detection of surface acoustic waves by AlGaN/GaN high electron mobility transistors

NASA Astrophysics Data System (ADS)

Shao, Lei; Zhang, Meng; Banerjee, Animesh; Bhattacharya, Pallab; Pipe, Kevin P.

2011-12-01

Using integrated interdigital transducers (IDTs), we demonstrate the emission of surface acoustic waves (SAWs) by AlGaN/GaN high electron mobility transistors (HEMTs) under certain bias conditions through dynamic screening of the HEMTs vertical field by modulation of its two-dimensional electron gas. We show that a strong SAW signal can be detected if the IDT geometry replicates the HEMT electrode geometry at which RF bias is applied. In addition to characterizing SAW emission during both gate-source and drain-source modulation, we demonstrate SAW detection by HEMTs. Integrated HEMT-IDT structures could enable real-time evaluation of epitaxial degradation as well as high-speed, amplified detection of SAWs.

The Application of the NFW Design Philosophy to the HSR Arrow Wing Configuration

NASA Technical Reports Server (NTRS)

Bauer, Steven X. S.; Krist, Steven E.

1999-01-01

The Natural Flow Wing design philosophy was developed for improving performance characteristics of highly-swept fighter aircraft at cruise and maneuvering conditions across the Mach number range (from Subsonic through Supersonic). The basic philosophy recognizes the flow characteristics that develop on highly swept wings and contours the surface to take advantage of those flow characteristics (e.g., forward facing surfaces in low pressure regions and aft facing surfaces in higher pressure regions for low drag). Because the wing leading edge and trailing edge have multiple sweep angles and because of shocks generated on nacelles and diverters, a viscous code was required to accurately define the surface pressure distributions on the wing. A method of generating the surface geometry to take advantage of those surface pressures (as well as not violating any structural constraints) was developed and the resulting geometries were analyzed and compared to a baseline configuration. This paper will include discussions of the basic Natural Flow Wing design philosophy, the application of the philosophy to an HSCT vehicle, and preliminary wind-tunnel assessment of the NFW HSCT vehicle.

LEO high voltage solar array arcing response model, continuation 5

NASA Technical Reports Server (NTRS)

Metz, Roger N.

1989-01-01

The modeling of the Debye Approximation electron sheaths in the edge and strip geometries was completed. Electrostatic potentials in these sheaths were compared to NASCAP/LEO solutions for similar geometries. Velocity fields, charge densities and particle fluxes to the biased surfaces were calculated for all cases. The major conclusion to be drawn from the comparisons of our Debye Approximation calculations with NASCAP-LEO output is that, where comparable biased structures can be defined and sufficient resolution obtained, these results are in general agreement. Numerical models for the Child-Langmuir, high-voltage electron sheaths in the edge and strip geometries were constructed. Electrostatic potentials were calculated for several cases in each of both geometries. Velocity fields and particle fluxes were calculated. The self-consistent solution process was carried through one cycle and output electrostatic potentials compared to NASCAP-type input potentials.

Energy Level Alignment at the Interface between Linear-Structured Benzenediamine Molecules and Au(111) Surface

NASA Astrophysics Data System (ADS)

Li, Guo; Rangel, Tonatiuh; Liu, Zhenfei; Cooper, Valentino; Neaton, Jeffrey

Using density functional theory with model self-energy corrections, we calculate the adsorption energetics and geometry, and the energy level alignment of benzenediamine (BDA) molecules adsorbed on Au(111) surfaces. Our calculations show that linear structures of BDA, stabilized via hydrogen bonds between amine groups, are energetically more favorable than monomeric phases. Moreover, our self-energy-corrected calculations of energy level alignment show that the highest occupied molecular orbital energy of the BDA linear structure is deeper relative to the Fermi level relative to the isolated monomer and agrees well with the values measured with photoemission spectroscopy. This work supported by DOE.

Geometrical effect, optimal design and controlled fabrication of bio-inspired micro/nanotextures for superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Ma, F. M.; Li, W.; Liu, A. H.; Yu, Z. L.; Ruan, M.; Feng, W.; Chen, H. X.; Chen, Y.

2017-09-01

Superhydrophobic surfaces with high water contact angles and low contact angle hysteresis or sliding angles have received tremendous attention for both academic research and industrial applications in recent years. In general, such surfaces possess rough microtextures, particularly, show micro/nano hierarchical structures like lotus leaves. Now it has been recognized that to achieve the artificial superhydrophobic surfaces, the simple and effective strategy is to mimic such hierarchical structures. However, fabrications of such structures for these artificial surfaces involve generally expensive and complex processes. On the other hand, the relationships between structural parameters of various surface topography and wetting properties have not been fully understood yet. In order to provide guidance for the simple fabrication and particularly, to promote practical applications of superhydrophobic surfaces, the geometrical designs of optimal microtextures or patterns have been proposed. In this work, the recent developments on geometrical effect, optimal design and controlled fabrication of various superhydrophobic structures, such as unitary, anisotropic, dual-scale hierarchical, and some other surface geometries, are reviewed. The effects of surface topography and structural parameters on wetting states (composite and noncomposite) and wetting properties (contact angle, contact angle hysteresis and sliding angle) as well as adhesive forces are discussed in detail. Finally, the research prospects in this field are briefly addressed.

Structure and wettability property of the growth and nucleation surfaces of thermally treated freestanding CVD diamond films

NASA Astrophysics Data System (ADS)

Pei, Xiaoqiang; Cheng, Shaoheng; Ma, Yibo; Wu, Danfeng; Liu, Junsong; Wang, Qiliang; Yang, Yizhou; Li, Hongdong

2015-08-01

This paper reports the surface features and wettability properties of the (1 0 0)-textured freestanding chemical vapor deposited (CVD) diamond films after thermal exposure in air at high temperature. Thermal oxidation at proper conditions eliminates selectively nanodiamonds and non-diamond carbons in the films. The growth side of the films contains (1 0 0)-oriented micrometer-sized columns, while its nucleation side is formed of nano-sized tips. The examined wettability properties of the as-treated diamond films reveal a hydrophilicity and superhydrophilicity on the growth surface and nucleation surface, respectively, which is determined by oxygen termination and geometry structure of the surface. When the surface termination is hydrogenated, the wettability of nucleation side converted from superhydrophilicity to high hydrophobicity, while the hydrophilicity of the growth side does not change significantly. The findings open a possibility for realizing freestanding diamond films having not only novel surface structures but also multifunction applications, especially proposed on the selected growth side or nucleation side in one product.

Molecular adsorption and multilayer growth of pentacene on Cu(100):Layer structure and energetics

NASA Astrophysics Data System (ADS)

Satta, M.; Iacobucci, S.; Larciprete, R.

2007-04-01

We used the partial charge tight binding method to perform a full structure optimization to determine equilibrium adsorption geometries, energetics, and local charge redistribution for molecular adsorption and multilayer growth of pentacene on Cu(100). We found that single molecule adsorption induces only a localized perturbation of the metal lattice which is limited to the topmost layers. At saturation coverage four stable topologies (Brick, Wave, Lines and Zigzag) were identified, all based on pentacene molecules lying flat on the metal surface and with the central phenyl ring adsorbed in top position. Only two (Brick and Wave) out of the four structures are able to sustain multilayer growth. In both cases, assembling beyond the second layer corresponds to a transition from the flat to a tilted geometry, in which the pentacenes adopt a face-plane-face arrangement leading to a herringbone structure. The energetics of the different structure are reported as a function of the molecular number density of the pentacene multilayer by calculating cohesive, stress, and electrostatic energies. The dominant tilted molecular orientation in the pentacene multilayer is in agreement with the average tilt angle of 65° between the molecular plane and the Cu surface derived by near edge x-ray absorption spectroscopy of a four monolayer pentacene film deposited on Cu(100).

Vortex generating flow passage design for increased film-cooling effectiveness and surface coverage. [aircraft engine blade cooling

NASA Technical Reports Server (NTRS)

Papell, S. S.

1984-01-01

The fluid mechanics of the basic discrete hole film cooling process is described as an inclined jet in crossflow and a cusp shaped coolant flow channel contour that increases the efficiency of the film cooling process is hypothesized. The design concept requires the channel to generate a counter rotating vortex pair secondary flow within the jet stream by virture of flow passage geometry. The interaction of the vortex structures generated by both geometry and crossflow was examined in terms of film cooling effectiveness and surface coverage. Comparative data obtained with this vortex generating coolant passage showed up to factors of four increases in both effectiveness and surface coverage over that obtained with a standard round cross section flow passage. A streakline flow visualization technique was used to support the concept of the counter rotating vortex pair generating capability of the flow passage design.

Vortex generating flow passage design for increased film-cooling effectiveness and surface coverage

NASA Astrophysics Data System (ADS)

Papell, S. S.

The fluid mechanics of the basic discrete hole film cooling process is described as an inclined jet in crossflow and a cusp shaped coolant flow channel contour that increases the efficiency of the film cooling process is hypothesized. The design concept requires the channel to generate a counter rotating vortex pair secondary flow within the jet stream by virture of flow passage geometry. The interaction of the vortex structures generated by both geometry and crossflow was examined in terms of film cooling effectiveness and surface coverage. Comparative data obtained with this vortex generating coolant passage showed up to factors of four increases in both effectiveness and surface coverage over that obtained with a standard round cross section flow passage. A streakline flow visualization technique was used to support the concept of the counter rotating vortex pair generating capability of the flow passage design.

Heat transfer enhancement induced by wall inclination in turbulent thermal convection

NASA Astrophysics Data System (ADS)

Kenjereš, Saša

2015-11-01

We present a series of numerical simulations of turbulent thermal convection of air in an intermediate range or Rayleigh numbers (106≤Ra ≤109 ) with different configurations of a thermally active lower surface. The geometry of the lower surface is designed in such a way that it represents a simplified version of a mountain slope with different inclinations (i.e., "Λ "- and "V "-shaped geometry). We find that different wall inclinations significantly affect the local heat transfer by imposing local clustering of instantaneous thermal plumes along the inclination peaks. The present results reveal that significant enhancement of the integral heat transfer can be obtained (up to 32%) when compared to a standard Rayleigh-Bénard configuration with flat horizontal walls. This is achieved through combined effects of the enlargement of the heated surface and reorganization of the large-scale flow structures.

Geometry and architecture of faults in a syn-rift normal fault array: The Nukhul half-graben, Suez rift, Egypt

NASA Astrophysics Data System (ADS)

Wilson, Paul; Gawthorpe, Rob L.; Hodgetts, David; Rarity, Franklin; Sharp, Ian R.

2009-08-01

The geometry and architecture of a well exposed syn-rift normal fault array in the Suez rift is examined. At pre-rift level, the Nukhul fault consists of a single zone of intense deformation up to 10 m wide, with a significant monocline in the hanging wall and much more limited folding in the footwall. At syn-rift level, the fault zone is characterised by a single discrete fault zone less than 2 m wide, with damage zone faults up to approximately 200 m into the hanging wall, and with no significant monocline developed. The evolution of the fault from a buried structure with associated fault-propagation folding, to a surface-breaking structure with associated surface faulting, has led to enhanced bedding-parallel slip at lower levels that is absent at higher levels. Strain is enhanced at breached relay ramps and bends inherited from pre-existing structures that were reactivated during rifting. Damage zone faults observed within the pre-rift show ramp-flat geometries associated with contrast in competency of the layers cut and commonly contain zones of scaly shale or clay smear. Damage zone faults within the syn-rift are commonly very straight, and may be discrete fault planes with no visible fault rock at the scale of observation, or contain relatively thin and simple zones of scaly shale or gouge. The geometric and architectural evolution of the fault array is interpreted to be the result of (i) the evolution from distributed trishear deformation during upward propagation of buried fault tips to surface faulting after faults breach the surface; (ii) differences in deformation response between lithified pre-rift units that display high competence contrasts during deformation, and unlithified syn-rift units that display low competence contrasts during deformation, and; (iii) the history of segmentation, growth and linkage of the faults that make up the fault array. This has important implications for fluid flow in fault zones.

Estimation of effective aerodynamic roughness with altimeter measurements

NASA Technical Reports Server (NTRS)

Menenti, M.; Ritchie, J. C.

1992-01-01

A new method is presented for estimating the aerodynamic roughness length of heterogeneous land surfaces and complex landscapes using elevation measurements performed with an airborne laser altimeter and the Seasat radar altimeter. Land surface structure is characterized at increasing length scales by considering three basic landscape elements: (1) partial to complete canopies of herbaceous vegetation; (2) sparse obstacles (e.g., shrubs and trees); and (3) local relief. Measured parameters of land surface geometry are combined to obtain an effective aerodynamic roughness length which parameterizes the total atmosphere-land surface stress.

Surface Roughness and Morphology Customization of Additive Manufactured Open Porous Ti6Al4V Structures

PubMed Central

Pyka, Grzegorz; Kerckhofs, Greet; Papantoniou, Ioannis; Speirs, Mathew; Schrooten, Jan; Wevers, Martine

2013-01-01

Additive manufacturing (AM) is a production method that enables the building of porous structures with a controlled geometry. However, there is a limited control over the final surface of the product. Hence, complementary surface engineering strategies are needed. In this work, design of experiments (DoE) was used to customize post AM surface treatment for 3D selective laser melted Ti6Al4V open porous structures for bone tissue engineering. A two-level three-factor full factorial design was employed to assess the individual and interactive effects of the surface treatment duration and the concentration of the chemical etching solution on the final surface roughness and beam thickness of the treated porous structures. It was observed that the concentration of the surface treatment solution was the most important factor influencing roughness reduction. The designed beam thickness decreased the effectiveness of the surface treatment. In this case study, the optimized processing conditions for AM production and the post-AM surface treatment were defined based on the DoE output and were validated experimentally. This allowed the production of customized 3D porous structures with controlled surface roughness and overall morphological properties, which can assist in more controlled evaluation of the effect of surface roughness on various functional properties. PMID:28788357

Surface Roughness and Morphology Customization of Additive Manufactured Open Porous Ti6Al4V Structures.

PubMed

Pyka, Grzegorz; Kerckhofs, Greet; Papantoniou, Ioannis; Speirs, Mathew; Schrooten, Jan; Wevers, Martine

2013-10-22

Additive manufacturing (AM) is a production method that enables the building of porous structures with a controlled geometry. However, there is a limited control over the final surface of the product. Hence, complementary surface engineering strategies are needed. In this work, design of experiments (DoE) was used to customize post AM surface treatment for 3D selective laser melted Ti6Al4V open porous structures for bone tissue engineering. A two-level three-factor full factorial design was employed to assess the individual and interactive effects of the surface treatment duration and the concentration of the chemical etching solution on the final surface roughness and beam thickness of the treated porous structures. It was observed that the concentration of the surface treatment solution was the most important factor influencing roughness reduction. The designed beam thickness decreased the effectiveness of the surface treatment. In this case study, the optimized processing conditions for AM production and the post-AM surface treatment were defined based on the DoE output and were validated experimentally. This allowed the production of customized 3D porous structures with controlled surface roughness and overall morphological properties, which can assist in more controlled evaluation of the effect of surface roughness on various functional properties.

The role of confined collagen geometry in decreasing nucleation energy barriers to intrafibrillar mineralization

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

Kim, Doyoon; Lee, Byeongdu; Thomopoulos, Stavros

Mineralization of collagen is critical for the mechanical functions of bones and teeth. Calcium phosphate nucleation in collagenous structures follows distinctly different patterns in highly confined gap regions (nanoscale confinement) than in less confined extrafibrillar spaces (microscale confinement). Although the mechanism(s) driving these differences are still largely unknown, differences in the free energy for nucleation may explain these two mineralization behaviors. Here, we report on experimentally obtained nucleation energy barriers to intra- and extrafibrillar mineralization, using in situ X-ray scattering observations and classical nucleation theory. Polyaspartic acid, an extrafibrillar nucleation inhibitor, increases interfacial energies between nuclei and mineralization fluids. Inmore » contrast, the confined gap spaces inside collagen fibrils lower the energy barrier by reducing the reactive surface area of nuclei, decreasing the surface energy penalty. The confined gap geometry, therefore, guides the two-dimensional morphology and structure of bioapatite and changes the nucleation pathway by reducing the total energy barrier.« less

The role of confined collagen geometry in decreasing nucleation energy barriers to intrafibrillar mineralization

DOE PAGES

Kim, Doyoon; Lee, Byeongdu; Thomopoulos, Stavros; ...

2018-03-06

Mineralization of collagen is critical for the mechanical functions of bones and teeth. Calcium phosphate nucleation in collagenous structures follows distinctly different patterns in highly confined gap regions (nanoscale confinement) than in less confined extrafibrillar spaces (microscale confinement). Although the mechanism(s) driving these differences are still largely unknown, differences in the free energy for nucleation may explain these two mineralization behaviors. Here, we report on experimentally obtained nucleation energy barriers to intra- and extrafibrillar mineralization, using in situ X-ray scattering observations and classical nucleation theory. Polyaspartic acid, an extrafibrillar nucleation inhibitor, increases interfacial energies between nuclei and mineralization fluids. Inmore » contrast, the confined gap spaces inside collagen fibrils lower the energy barrier by reducing the reactive surface area of nuclei, decreasing the surface energy penalty. The confined gap geometry, therefore, guides the two-dimensional morphology and structure of bioapatite and changes the nucleation pathway by reducing the total energy barrier.« less

Development of the morphology during functional stack build-up of P3HT:PCBM bulk heterojunction solar cells with inverted geometry.

PubMed

Wang, Weijia; Pröller, Stephan; Niedermeier, Martin A; Körstgens, Volker; Philipp, Martine; Su, Bo; Moseguí González, Daniel; Yu, Shun; Roth, Stephan V; Müller-Buschbaum, Peter

2015-01-14

Highly efficient poly(3-hexylthiophene-2,5-diyl) (P3HT):phenyl-C61-butyric acid methyl ester (PCBM) bulk heterojunction solar cells are achieved by using an inverted geometry. The development of the morphology is investigated as a function of the multilayer stack assembling during the inverted solar cell preparation. Atomic force microscopy is used to reveal the surface morphology of each stack, and the inner structure is probed with grazing incidence small-angle X-ray scattering. It is found that the smallest domain size of P3HT is introduced by replicating the fluorine-doped tin oxide structure underneath. The structure sizes of the P3HT:PCBM active layer are further optimized after thermal annealing. Compared to devices with standard geometry, the P3HT:PCBM layer in the inverted solar cells shows smaller domain sizes, which are much closer to the exciton diffusion length in the polymer. The decrease in domain sizes is identified as the main reason for the improvement of the device performance.

A validated methodology for the 3D reconstruction of cochlea geometries using human microCT images

NASA Astrophysics Data System (ADS)

Sakellarios, A. I.; Tachos, N. S.; Rigas, G.; Bibas, T.; Ni, G.; Böhnke, F.; Fotiadis, D. I.

2017-05-01

Accurate reconstruction of the inner ear is a prerequisite for the modelling and understanding of the inner ear mechanics. In this study, we present a semi-automated methodology for accurate reconstruction of the major inner ear structures (scalae, basilar membrane, stapes and semicircular canals). For this purpose, high resolution microCT images of a human specimen were used. The segmentation methodology is based on an iterative level set algorithm which provides the borders of the structures of interest. An enhanced coupled level set method which allows the simultaneous multiple image labeling without any overlapping regions has been developed for this purpose. The marching cube algorithm was applied in order to extract the surface from the segmented volume. The reconstructed geometries are then post-processed to improve the basilar membrane geometry to realistically represent physiologic dimensions. The final reconstructed model is compared to the available data from the literature. The results show that our generated inner ear structures are in good agreement with the published ones, while our approach is the most realistic in terms of the basilar membrane thickness and width reconstruction.

Ab initio SCF calculations on the potential energy surface of potassium cyanide (KCN)

NASA Astrophysics Data System (ADS)

Wormer, Paul E. S.; Tennyson, Jonathan

1981-08-01

The potential energy surface of KCN has been generated by ab initio SCF calculations in the region of equilibrium bond distances. An analytic representation of the surface is presented. The calculations show that the bonding between K and CN is ionic, and that the structure of KCN is triangular, which confirms recent experimental findings. The computed geometry is &KCN = 62.4°, rCK = 5.492a0, and rCN = 2.186a0.

Effect of wrinkles on the surface area of graphene: toward the design of nanoelectronics.

PubMed

Qin, Zhao; Taylor, Michael; Hwang, Mary; Bertoldi, Katia; Buehler, Markus J

2014-11-12

Graphene has attracted intense attention to the use in extreme applications. However, its small thickness facilitates wrinkle formation, and it is not clear how such structural change affects its area-specific capacitance. Herein, we combine molecular dynamics and continuum mechanics-based simulations to study the changes in surface area induced by wrinkles. We find that the high specific surface area of graphene can only be affected up to 2% regardless of loading conditions, geometry, and defects.

Parallel CARLOS-3D code development

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

Putnam, J.M.; Kotulski, J.D.

1996-02-01

CARLOS-3D is a three-dimensional scattering code which was developed under the sponsorship of the Electromagnetic Code Consortium, and is currently used by over 80 aerospace companies and government agencies. The code has been extensively validated and runs on both serial workstations and parallel super computers such as the Intel Paragon. CARLOS-3D is a three-dimensional surface integral equation scattering code based on a Galerkin method of moments formulation employing Rao- Wilton-Glisson roof-top basis for triangular faceted surfaces. Fully arbitrary 3D geometries composed of multiple conducting and homogeneous bulk dielectric materials can be modeled. This presentation describes some of the extensions tomore » the CARLOS-3D code, and how the operator structure of the code facilitated these improvements. Body of revolution (BOR) and two-dimensional geometries were incorporated by simply including new input routines, and the appropriate Galerkin matrix operator routines. Some additional modifications were required in the combined field integral equation matrix generation routine due to the symmetric nature of the BOR and 2D operators. Quadrilateral patched surfaces with linear roof-top basis functions were also implemented in the same manner. Quadrilateral facets and triangular facets can be used in combination to more efficiently model geometries with both large smooth surfaces and surfaces with fine detail such as gaps and cracks. Since the parallel implementation in CARLOS-3D is at high level, these changes were independent of the computer platform being used. This approach minimizes code maintenance, while providing capabilities with little additional effort. Results are presented showing the performance and accuracy of the code for some large scattering problems. Comparisons between triangular faceted and quadrilateral faceted geometry representations will be shown for some complex scatterers.« less

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

Polemi, A.; Shuford, K. L.

We investigate the use of a Fabry-Perot dielectric structure combined with differently shaped nanoparticles for Surface Enhanced Raman Scattering. In particular, we show how an ideal two-layer Fabry-Perot configuration enhances the local surface field of silver nanoparticles positioned on the surface of the structure. We develop the concept using disc dimers and then extend the discussion to bowtie nanoparticles. The structure is excited by a single emitter, which couples to the nanoparticles through the dielectric layers, producing a wide aperture field that can be used to excite multiple dimers. We show how an array of nanoparticles can be properly arrangedmore » in order to increase the total scattering signal generated from the structure. The layered geometry produces robust field properties in between nanoparticles, making the overall sensing characteristics less sensitive to the interparticle seperation distance and incident polarization.« less

Sensing Properties of a Fabry-Perot Dielectric Structure and Dimer Nanoparticles

DOE PAGES

Polemi, A.; Shuford, K. L.

2012-01-01

We investigate the use of a Fabry-Perot dielectric structure combined with differently shaped nanoparticles for Surface Enhanced Raman Scattering. In particular, we show how an ideal two-layer Fabry-Perot configuration enhances the local surface field of silver nanoparticles positioned on the surface of the structure. We develop the concept using disc dimers and then extend the discussion to bowtie nanoparticles. The structure is excited by a single emitter, which couples to the nanoparticles through the dielectric layers, producing a wide aperture field that can be used to excite multiple dimers. We show how an array of nanoparticles can be properly arrangedmore » in order to increase the total scattering signal generated from the structure. The layered geometry produces robust field properties in between nanoparticles, making the overall sensing characteristics less sensitive to the interparticle seperation distance and incident polarization.« less

Microreplication of laser-fabricated surface and three-dimensional structures

NASA Astrophysics Data System (ADS)

Koroleva, Anastasia; Schlie, Sabrina; Fadeeva, Elena; Gittard, Shaun D.; Miller, Philip; Ovsianikov, Aleksandr; Koch, Jürgen; Narayan, Roger J.; Chichkov, Boris N.

2010-12-01

The fabrication of defined surface topographies and three-dimensional structures is a challenging process for various applications, e.g. in photonics and biomedicine. Laser-based technologies provide a promising approach for the production of such structures. The advantages of femtosecond laser ablation and two-photon polymerization for microstructuring are well known. However, these methods cannot be applied to all materials and are limited by their high cost and long production time. In this study, biomedical applications of an indirect rapid prototyping, molding microreplication of laser-fabricated two- and three-dimensional structures are examined. We demonstrate that by this method any laser-generated surface topography as well as three-dimensional structures can be replicated in various materials without losing the original geometry. The replication into multiple copies enables fast and perfect reproducibility of original microstructures for investigations of cell-surface interactions. Compared to unstructured materials, we observe that microstructures have strong influence on morphology and localization of fibroblasts, whereas neuroblastoma cells are not negatively affected.

Solar photovoltaic reflective trough collection structure

DOEpatents

Anderson, Benjamin J.; Sweatt, William C.; Okandan, Murat; Nielson, Gregory N.

2015-11-19

A photovoltaic (PV) solar concentration structure having at least two troughs encapsulated in a rectangular parallelepiped optical plastic structure, with the troughs filled with an optical plastic material, the troughs each having a reflective internal surface and approximately parabolic geometry, and the troughs each including photovoltaic cells situated so that light impinging on the optical plastic material will be concentrated onto the photovoltaic cells. Multiple structures can be connected to provide a solar photovoltaic collection system that provides portable, efficient, low-cost electrical power.

Considerations in the design of large space structures

NASA Technical Reports Server (NTRS)

Hedgepeth, J. M.; Macneal, R. H.; Knapp, K.; Macgillivray, C. S.

1981-01-01

Several analytical studies of topics relevant to the design of large space structures are presented. Topics covered are: the types and quantitative evaluation of the disturbances to which large Earth-oriented microwave reflectors would be subjected and the resulting attitude errors of such spacecraft; the influence of errors in the structural geometry of the performance of radiofrequency antennas; the effect of creasing on the flatness of tensioned reflector membrane surface; and an analysis of the statistics of damage to truss-type structures due to meteoroids.

Electro-chemical manifestation of nanoplasmonics in fractal media

NASA Astrophysics Data System (ADS)

Baskin, Emmanuel; Iomin, Alexander

2013-06-01

Electrodynamics of composite materials with fractal geometry is studied in the framework of fractional calculus. This consideration establishes a link between fractal geometry of the media and fractional integrodifferentiation. The photoconductivity in the vicinity of the electrode-electrolyte fractal interface is studied. The methods of fractional calculus are employed to obtain an analytical expression for the giant local enhancement of the optical electric field inside the fractal composite structure at the condition of the surface plasmon excitation. This approach makes it possible to explain experimental data on photoconductivity in the nano-electrochemistry.

Computation of Surface Laplacian for tri-polar ring electrodes on high-density realistic geometry head model.

PubMed

Junwei Ma; Han Yuan; Sunderam, Sridhar; Besio, Walter; Lei Ding

2017-07-01

Neural activity inside the human brain generate electrical signals that can be detected on the scalp. Electroencephalograph (EEG) is one of the most widely utilized techniques helping physicians and researchers to diagnose and understand various brain diseases. Due to its nature, EEG signals have very high temporal resolution but poor spatial resolution. To achieve higher spatial resolution, a novel tri-polar concentric ring electrode (TCRE) has been developed to directly measure Surface Laplacian (SL). The objective of the present study is to accurately calculate SL for TCRE based on a realistic geometry head model. A locally dense mesh was proposed to represent the head surface, where the local dense parts were to match the small structural components in TCRE. Other areas without dense mesh were used for the purpose of reducing computational load. We conducted computer simulations to evaluate the performance of the proposed mesh and evaluated possible numerical errors as compared with a low-density model. Finally, with achieved accuracy, we presented the computed forward lead field of SL for TCRE for the first time in a realistic geometry head model and demonstrated that it has better spatial resolution than computed SL from classic EEG recordings.

Structural and stratigraphic framework and spatial distribution of permeability of the Atlantic coastal plain, North Carolina to New York

USGS Publications Warehouse

Brown, Philip Monroe; Miller, James A.; Swain, Frederick Morrill

1972-01-01

This report describes and interprets the results of a detailed subsurface mapping program undertaken in that part of the Atlantic Coastal Plain which extends from the South Carolina and North Carolina border through Long Island, N.Y. Data obtained from more than 2,200 wells are analyzed. Seventeen chronostratigraphic units are mapped in the subsurface. They range in age from Jurassic(?) to post-Miocene. The purpose of the mapping program was to determine the external and internal geometry of mappable chronostratigraphic units and to derive and construct a permeability-distribution network for each unit based upon contrasts in the textures and compositions of its contained sediments. The report contains a structure map and a combined isopach, lithofacies, and permeability-distribution map for each of the chronostratigraphic units delineated in the subsurface. In addition, it contains a map of the top of the basement surface. These maps, together with 36 stratigraphic cross sections, present a three-dimensional view of the regional subsurface hydrogeology. They provide focal points of reference for a discussion of regional tectonics, structure, stratigraphy, and permeability distribution. Taken together and in chronologic sequence, the maps constitute a detailed sedimentary model, the first such model to be constructed for the middle Atlantic Coastal Plain. The chronostratigraphic units mapped record a structural history dominated by lateral and vertical movement along a system of intersecting hinge zones. Taphrogeny, related to transcurrent faulting, is the dominant type of deformation that controlled the geometry of the sedimentary model. Twelve of the seventeen chronostratigraphic units mapped have depositional alinements and thickening trends that are independent of the present-day configuration of the underlying basement surface. These 12 units, classified as genetically unrooted units, are assigned to a first-order tectonic stage. A structural model is proposed whose alinements of positive and negative structural features are accordant with the depositional geometry of the chronostratigraphic units assigned to this tectonic stage. The dominant features of the structural model are northeast-plunging half grabens arranged en echelon and bordered by northeast-plunging fault-block anticlines. Tension-type hinge zones that strike north lie athwart the half grabens. Five of the seventeen chronostratigraphic units mapped have depositional alinements and thickening trends that are accordant with the present-day configuration of the underlying basement surface. These five units, classified as genetically rooted units, are assigned to a second-order tectonic stage. A structural model is proposed whose alinements of positive and negative features are accordant with the depositional geometry of the chronostratigraphic units assigned to this tectonic stage. The dominant feature of this model is a graben that stands tangential to southeast-plunging asymmetrical anticlines. Tension-type hinge zones that strike northeast lie athwart the graben. To account for the semiperiodic realinement of structural features that has characterized the history of the region and as a working hypothesis, we propose that the dominant tectonic element, which is present in the area between north Florida and Long Island, N.Y., is a unit-structural block, a ?basement? block, bounded by wrench-fault zones. We propose that forces derived principally from the rotation and precession of the earth act on the unit-structural block and deform it. Two tectonic models are proposed. One model is compatible with the structural and sedimentary geometries that are associated with chronostratigraphic units assigned to a first-order tectonic stage. It features tension-type hinge zones that strike north and shear-type hinge zones that strike northeast. The other model is compatible with the structural and sedimentary geometries associated with chronostratigraphi

Crustal and Upper Mantle Velocity and Q Structures of Mainland China

DTIC Science & Technology

1979-11-01

CLASIFICATION OFTHIS PAGE(117..t- [).(t ntred) with identical source-receiver geometry. The generalized surface wave inversion technique was applied...in the recent past. A particularly unusual crustal and upper mantle structure is found underlying the Tibet Dlateau. AOceSIon For DDC TAB Ubazmnounced...the AIR FORCE OFFICE OF SCIENTIFIC RESEARCH by the GEOPHYSICAL LABORATORY UNIVERSITY OF SOUTHERN CALIFORNIA Contractor: University of Southern

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

Zhang, Qingfeng; Han, Lili; Jing, Hao

While great success has been achieved in fine-tuning the aspect ratios and thereby the plasmon resonances of cylindrical Au nanorods, facet control with atomic level precision on the highly curved nanorod surfaces has long been a significantly more challenging task. The intrinsic structural complexity and lack of precise facet control of the nanorod surfaces remain the major obstacles for the atomic-level elucidation of the structure–property relationships that underpin the intriguing catalytic performance of Au nanorods. Here we demonstrate that the facets of single-crystalline Au nanorods can be precisely tailored using cuprous ions and cetyltrimethylammonium bromide as a unique pair ofmore » surface capping competitors to guide the particle geometry evolution during nanorod overgrowth. By deliberately maneuvering the competition between cuprous ions and cetyltrimethylammonium bromide, we have been able to create, in a highly controllable and selective manner, an entire family of nanorod-derived anisotropic multifaceted geometries whose surfaces are enclosed by specific types of well-defined high-index and low-index facets. This facet-controlled nanorod overgrowth approach also allows us to fine-tune the particle aspect ratios while well-preserving all the characteristic facets and geometric features of the faceted Au nanorods. Furthermore, taking full advantage of the combined structural and plasmonic tunability, we have further studied the facet-dependent heterogeneous catalysis on well-faceted Au nanorods using surface-enhanced Raman spectroscopy as an ultrasensitive spectroscopic tool with unique time-resolving and molecular finger-printing capabilities.« less

Transfer zones in listric normal fault systems

NASA Astrophysics Data System (ADS)

Bose, Shamik

Listric normal faults are common in passive margin settings where sedimentary units are detached above weaker lithological units, such as evaporites or are driven by basal structural and stratigraphic discontinuities. The geometries and styles of faulting vary with the types of detachment and form landward and basinward dipping fault systems. Complex transfer zones therefore develop along the terminations of adjacent faults where deformation is accommodated by secondary faults, often below seismic resolution. The rollover geometry and secondary faults within the hanging wall of the major faults also vary with the styles of faulting and contribute to the complexity of the transfer zones. This study tries to understand the controlling factors for the formation of the different styles of listric normal faults and the different transfer zones formed within them, by using analog clay experimental models. Detailed analyses with respect to fault orientation, density and connectivity have been performed on the experiments in order to gather insights on the structural controls and the resulting geometries. A new high resolution 3D laser scanning technology has been introduced to scan the surfaces of the clay experiments for accurate measurements and 3D visualizations. Numerous examples from the Gulf of Mexico have been included to demonstrate and geometrically compare the observations in experiments and real structures. A salt cored convergent transfer zone from the South Timbalier Block 54, offshore Louisiana has been analyzed in detail to understand the evolutionary history of the region, which helps in deciphering the kinematic growth of similar structures in the Gulf of Mexico. The dissertation is divided into three chapters, written in a journal article format, that deal with three different aspects in understanding the listric normal fault systems and the transfer zones so formed. The first chapter involves clay experimental models to understand the fault patterns in divergent and convergent transfer zones. Flat base plate setups have been used to build different configurations that would lead to approaching, normal offset and overlapping faults geometries. The results have been analyzed with respect to fault orientation, density, connectivity and 3D geometry from photographs taken from the three free surfaces and laser scans of the top surface of the clay cake respectively. The second chapter looks into the 3D structural analysis of the South Timbalier Block 54, offshore Louisiana in the Gulf of Mexico with the help of a 3D seismic dataset and associated well tops and velocity data donated by ExxonMobil Corporation. This study involves seismic interpretation techniques, velocity modeling, cross section restoration of a series of seismic lines and 3D subsurface modeling using depth converted seismic horizons, well tops and balanced cross sections. The third chapter deals with the clay experiments of listric normal fault systems and tries to understand the controls on geometries of fault systems with and without a ductile substrate. Sloping flat base plate setups have been used and silicone fluid underlain below the clay cake has been considered as an analog for salt. The experimental configurations have been varied with respect to three factors viz. the direction of slope with respect to extension, the termination of silicone polymer with respect to the basal discontinuities and overlap of the base plates. The analyses for the experiments have again been performed from photographs and 3D laser scans of the clay surface.

Electromagnetic properties of material coated surfaces

NASA Technical Reports Server (NTRS)

Beard, L.; Berrie, J.; Burkholder, R.; Dominek, A.; Walton, E.; Wang, N.

1989-01-01

The electromagnetic properties of material coated conducting surfaces were investigated. The coating geometries consist of uniform layers over a planar surface, irregularly shaped formations near edges and randomly positioned, electrically small, irregularly shaped formations over a surface. Techniques to measure the scattered field and constitutive parameters from these geometries were studied. The significance of the scattered field from these geometries warrants further study.

Multifaceted adsorption of α-cyano-4-hydroxycinnamic acid on silver colloidal and island surfaces

NASA Astrophysics Data System (ADS)

Jung, Dawoon; Jeon, Kooknam; Yeo, Juhyun; Hussain, Shafqat; Pang, Yoonsoo

2017-12-01

The surface adsorption of organic nitrile compounds on the silver colloidal and island surfaces has been studied using surface-enhanced Raman scattering (SERS). α-Cyano-4-hydroxycinnamic acid (CHCA) with nitrile and carboxyl groups shows various surface adsorption on the silver surfaces. In acidic conditions, the surface adsorption of CHCA via the nitrile group with a more or less tilted geometry to the surface was found. When the solution pH increases, the carboxylate and nitrile groups of deprotonated CHCA participate in the surface adsorption, whereas the molecular plane of CHCA becomes more parallel to the surface. The ν(Ctbnd N) band in SERS of CHCA is the indicator of the surface adsorption geometry. The strongly red-shifted and broadened ν(Ctbnd N) band in SERS represents the surface adsorption via π-electrons of the Ctbnd N bond (side-on geometry; π-coordination). Nitriles adsorbed on the surface via the nonbonding electron pair of the nitrogen atom (end-on geometry; σ-coordination) often cause the blue-shifts and small band broadening in ν(Ctbnd N) in SERS. The surface adsorption geometry of organic nitriles based on many previous experimental results was further confirmed by the surface adsorption of CHCA on the silver island surfaces and dinitrile compounds on the silver colloidal surfaces.

A Review of Digital Image Correlation Applied to Structura Dynamics

NASA Astrophysics Data System (ADS)

Niezrecki, Christopher; Avitabile, Peter; Warren, Christopher; Pingle, Pawan; Helfrick, Mark

2010-05-01

A significant amount of interest exists in performing non-contacting, full-field surface velocity measurement. For many years traditional non-contacting surface velocity measurements have been made by using scanning Doppler laser vibrometry, shearography, pulsed laser interferometry, pulsed holography, or an electronic speckle pattern interferometer (ESPI). Three dimensional (3D) digital image correlation (DIC) methods utilize the alignment of a stereo pair of images to obtain full-field geometry data, in three dimensions. Information about the change in geometry of an object over time can be found by comparing a sequence of images and virtual strain gages (or position sensors) can be created over the entire visible surface of the object of interest. Digital imaging techniques were first developed in the 1980s but the technology has only recently been exploited in industry and research due to the advances of digital cameras and personal computers. The use of DIC for structural dynamic measurement has only very recently been investigated. Within this paper, the advantages and limits of using DIC for dynamic measurement are reviewed. Several examples of using DIC for dynamic measurement are presented on several vibrating and rotating structures.

Controlling the influence of elastic eigenmodes on nanomagnet dynamics through pattern geometry

NASA Astrophysics Data System (ADS)

Berk, C.; Yahagi, Y.; Dhuey, S.; Cabrini, S.; Schmidt, H.

2017-03-01

The effect of the nanoscale array geometry on the interaction between optically generated surface acoustic waves (SAWs) and nanomagnet dynamics is investigated using Time-Resolved Magneto-Optical Kerr Effect Microscopy (TR-MOKE). It is demonstrated that altering the nanomagnet geometry from a periodic to a randomized aperiodic pattern effectively removes the magneto-elastic effect of SAWs on the magnetization dynamics. The efficiency of this method depends on the extent of any residual spatial correlations and is quantified by spatial Fourier analysis of the two structures. Randomization allows observation and extraction of intrinsic magnetic parameters such as spin wave frequencies and damping to be resolvable using all-optical methods, enabling the conclusion that the fabrication process does not affect the damping.

Ambient occlusion effects for combined volumes and tubular geometry.

PubMed

Schott, Mathias; Martin, Tobias; Grosset, A V Pascal; Smith, Sean T; Hansen, Charles D

2013-06-01

This paper details a method for interactive direct volume rendering that computes ambient occlusion effects for visualizations that combine both volumetric and geometric primitives, specifically tube-shaped geometric objects representing streamlines, magnetic field lines or DTI fiber tracts. The algorithm extends the recently presented the directional occlusion shading model to allow the rendering of those geometric shapes in combination with a context providing 3D volume, considering mutual occlusion between structures represented by a volume or geometry. Stream tube geometries are computed using an effective spline-based interpolation and approximation scheme that avoids self-intersection and maintains coherent orientation of the stream tube segments to avoid surface deforming twists. Furthermore, strategies to reduce the geometric and specular aliasing of the stream tubes are discussed.

Ambient Occlusion Effects for Combined Volumes and Tubular Geometry

PubMed Central

Schott, Mathias; Martin, Tobias; Grosset, A.V. Pascal; Smith, Sean T.; Hansen, Charles D.

2013-01-01

This paper details a method for interactive direct volume rendering that computes ambient occlusion effects for visualizations that combine both volumetric and geometric primitives, specifically tube-shaped geometric objects representing streamlines, magnetic field lines or DTI fiber tracts. The algorithm extends the recently presented the directional occlusion shading model to allow the rendering of those geometric shapes in combination with a context providing 3D volume, considering mutual occlusion between structures represented by a volume or geometry. Stream tube geometries are computed using an effective spline-based interpolation and approximation scheme that avoids self-intersection and maintains coherent orientation of the stream tube segments to avoid surface deforming twists. Furthermore, strategies to reduce the geometric and specular aliasing of the stream tubes are discussed. PMID:23559506

Geometry creation for MCNP by Sabrina and XSM

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

Van Riper, K.A.

The Monte Carlo N-Particle transport code MCNP is based on a surface description of 3-dimensional geometry. Cells are defined in terms of boolean operations on signed quadratic surfaces. MCNP geometry is entered as a card image file containing coefficients of the surface equations and a list of surfaces and operators describing cells. Several programs are available to assist in creation of the geometry specification, among them Sabrina and the new ``Smart Editor`` code XSM. We briefly describe geometry creation in Sabrina and then discuss XSM in detail. XSM is under development; our discussion is based on the state of XSMmore » as of January 1, 1994.« less

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

NASA Astrophysics Data System (ADS)

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

2005-04-01

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

Intelligent Patching of Conceptual Geometry for CFD Analysis

NASA Technical Reports Server (NTRS)

Li, Wu

2010-01-01

The iPatch computer code for intelligently patching surface grids was developed to convert conceptual geometry to computational fluid dynamics (CFD) geometry (see figure). It automatically uses bicubic B-splines to extrapolate (if necessary) each surface in a conceptual geometry so that all the independently defined geometric components (such as wing and fuselage) can be intersected to form a watertight CFD geometry. The software also computes the intersection curves of surface patches at any resolution (up to 10.4 accuracy) specified by the user, and it writes the B-spline surface patches, and the corresponding boundary points, for the watertight CFD geometry in the format that can be directly used by the grid generation tool VGRID. iPatch requires that input geometry be in PLOT3D format where each component surface is defined by a rectangular grid {(x(i,j), y(i,j), z(i,j)):1less than or equal to i less than or equal to m, 1 less than or equal to j less than or equal to n} that represents a smooth B-spline surface. All surfaces in the PLOT3D file conceptually represent a watertight geometry of components of an aircraft on the half-space y greater than or equal to 0. Overlapping surfaces are not allowed, but could be fixed by a utility code "fixp3d". The fixp3d utility code first finds the two grid lines on the two surface grids that are closest to each other in Hausdorff distance (a metric to measure the discrepancies of two sets); then uses one of the grid lines as the transition line, extending grid lines on one grid to the other grid to form a merged grid. Any two connecting surfaces shall have a "visually" common boundary curve, or can be described by an intersection relationship defined in a geometry specification file. The intersection of two surfaces can be at a conceptual level. However, the intersection is directional (along either i or j index direction), and each intersecting grid line (or its spine extrapolation) on the first surface should intersect the second surface. No two intersection relationships will result in a common intersection point of three surfaces. The output files of iPatch are IGES, d3m, and mapbc files that define the CFD geometry in VGRID format. The IGES file gives the NURBS definition of the outer mold line in the geometry. The d3m file defines how the outer mold line is broken into surface patches whose boundary curves are defined by points. The mapbc file specifies what the boundary condition is on each patch and the corresponding NURBS surface definition of each non-planar patch in the IGES file.

Hyperthermia in low aspect-ratio magnetic nanotubes for biomedical applications

NASA Astrophysics Data System (ADS)

Gutierrez-Guzman, D. F.; Lizardi, L. I.; Otálora, J. A.; Landeros, P.

2017-03-01

A simple model for the magnetization reversal process of low aspect-ratio ferromagnetic nanotubes (MNTs) is presented. Because of advantages over other geometries, these structures are interesting for biomedical applications, such as magnetic hyperthermia cancer therapy, where the heat released during magnetic reversal is used to destroy tumors. For example, the tubular geometry provides two independent functional surfaces that may be selectively manipulated and also gives a storage cavity. Owing to their large surface to weight ratio and low mass density, MNTs are not decanted by gravity. We calculated magnetic phase diagrams, energy barriers, nucleation fields, and the amount of dissipated heat and specific absorption rate for magnetite nanotubes. The geometrical parameters were varied, and simple formulae were used to optimize the tube response under alternating excitation, as required for magnetic hyperthermia applications.

Studies of fluid instabilities in flows of lava and debris

NASA Technical Reports Server (NTRS)

Fink, Jonathan H.

1987-01-01

At least two instabilities have been identified and utilized in lava flow studies: surface folding and gravity instability. Both lead to the development of regularly spaced structures on the surfaces of lava flows. The geometry of surface folds have been used to estimate the rheology of lava flows on other planets. One investigation's analysis assumed that lava flows have a temperature-dependent Newtonian rheology, and that the lava's viscosity decreased exponentially inward from the upper surface. The author reviews studies by other investigators on the analysis of surface folding, the analysis of Taylor instability in lava flows, and the effect of surface folding on debris flows.

Solid rocket booster thermal radiation model, volume 1

NASA Technical Reports Server (NTRS)

Watson, G. H.; Lee, A. L.

1976-01-01

A solid rocket booster (SRB) thermal radiation model, capable of defining the influence of the plume flowfield structure on the magnitude and distribution of thermal radiation leaving the plume, was prepared and documented. Radiant heating rates may be calculated for a single SRB plume or for the dual SRB plumes astride the space shuttle. The plumes may be gimbaled in the yaw and pitch planes. Space shuttle surface geometries are simulated with combinations of quadric surfaces. The effect of surface shading is included. The computer program also has the capability to calculate view factors between the SRB plumes and space shuttle surfaces as well as surface-to-surface view factors.

Gaussian process regression to accelerate geometry optimizations relying on numerical differentiation

NASA Astrophysics Data System (ADS)

Schmitz, Gunnar; Christiansen, Ove

2018-06-01

We study how with means of Gaussian Process Regression (GPR) geometry optimizations, which rely on numerical gradients, can be accelerated. The GPR interpolates a local potential energy surface on which the structure is optimized. It is found to be efficient to combine results on a low computational level (HF or MP2) with the GPR-calculated gradient of the difference between the low level method and the target method, which is a variant of explicitly correlated Coupled Cluster Singles and Doubles with perturbative Triples correction CCSD(F12*)(T) in this study. Overall convergence is achieved if both the potential and the geometry are converged. Compared to numerical gradient-based algorithms, the number of required single point calculations is reduced. Although introducing an error due to the interpolation, the optimized structures are sufficiently close to the minimum of the target level of theory meaning that the reference and predicted minimum only vary energetically in the μEh regime.

Graphitic nanofilms of zinc-blende materials: ab initio calculations

NASA Astrophysics Data System (ADS)

Hu, San-Lue; Zhao, Li; Li, Yan-Li

2017-12-01

Ab initio calculations on ultra-thin nanofilms of 25 kinds of zinc-blende semiconductors demonstrate their stable geometry structures growth along (1 1 1) surface. Our results show that the (1 1 1) surfaces of 9 kinds of zinc-blende semiconductors can transform into a stable graphitelike structure within a certain thickness. The tensile strain effect on the thickness of graphitic films is not obvious. The band gaps of stable graphitic films can be tuned over a wide range by epitaxial tensile strain, which is important for applications in microelectronic devices, solar cells and light-emitting diodes.

Anatomy of triply-periodic network assemblies: characterizing skeletal and inter-domain surface geometry of block copolymer gyroids.

PubMed

Prasad, Ishan; Jinnai, Hiroshi; Ho, Rong-Ming; Thomas, Edwin L; Grason, Gregory M

2018-05-09

Triply-periodic networks (TPNs), like the well-known gyroid and diamond network phases, abound in soft matter assemblies, from block copolymers (BCPs), lyotropic liquid crystals and surfactants to functional architectures in biology. While TPNs are, in reality, volume-filling patterns of spatially-varying molecular composition, physical and structural models most often reduce their structure to lower-dimensional geometric objects: the 2D interfaces between chemical domains; and the 1D skeletons that thread through inter-connected, tubular domains. These lower-dimensional structures provide a useful basis of comparison to idealized geometries based on triply-periodic minimal, or constant-mean curvature surfaces, and shed important light on the spatially heterogeneous packing of molecular constituents that form the networks. Here, we propose a simple, efficient and flexible method to extract a 1D skeleton from 3D volume composition data of self-assembled networks. We apply this method to both self-consistent field theory predictions as well as experimental electron microtomography reconstructions of the double-gyroid phase of an ABA triblock copolymer. We further demonstrate how the analysis of 1D skeleton, 2D inter-domain surfaces, and combinations therefore, provide physical and structural insight into TPNs, across multiple length scales. Specifically, we propose and compare simple measures of network chirality as well as domain thickness, and analyze their spatial and statistical distributions in both ideal (theoretical) and non-ideal (experimental) double gyroid assemblies.

Gaia: automated quality assessment of protein structure models.

PubMed

Kota, Pradeep; Ding, Feng; Ramachandran, Srinivas; Dokholyan, Nikolay V

2011-08-15

Increasing use of structural modeling for understanding structure-function relationships in proteins has led to the need to ensure that the protein models being used are of acceptable quality. Quality of a given protein structure can be assessed by comparing various intrinsic structural properties of the protein to those observed in high-resolution protein structures. In this study, we present tools to compare a given structure to high-resolution crystal structures. We assess packing by calculating the total void volume, the percentage of unsatisfied hydrogen bonds, the number of steric clashes and the scaling of the accessible surface area. We assess covalent geometry by determining bond lengths, angles, dihedrals and rotamers. The statistical parameters for the above measures, obtained from high-resolution crystal structures enable us to provide a quality-score that points to specific areas where a given protein structural model needs improvement. We provide these tools that appraise protein structures in the form of a web server Gaia (http://chiron.dokhlab.org). Gaia evaluates the packing and covalent geometry of a given protein structure and provides quantitative comparison of the given structure to high-resolution crystal structures. dokh@unc.edu Supplementary data are available at Bioinformatics online.

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.

Morphological Control of Co3O4 and Its Photocatalytic Properties

EPA Science Inventory

Cobaltosic oxide (Co3O4), a p-type semiconductor, belongs to the normal spinel crystal structure based on a cubic close packing array of oxide ions. The size, surface, geometry, and crystal phase of catalysts are important parameters for controlling their chemical, optical, and ...

The influence of triggers geometry upon the stiffness of cylindrical thin walled tubes

NASA Astrophysics Data System (ADS)

Soica, Adrian; Radu, Gheorghe N.

2014-06-01

Today's automobile manufacturers are increasingly using lightweight materials to reduce weight; these include plastics, composites, aluminium, magnesium alloys, and also new types of high strength steels. Many of these materials have limited strength or ductility, therefore in many cases the rupture being serious consequences during crashes, underscore Picketta et al. in their studies. Automotive structures must deform plastically in a short period of time, a few milliseconds, to absorb the crash energy in a controllable manner. It must be light and enable economically mass-production [1]. FE models rapidly gained acceptance among engineers. Many other factors facilitated the development of vehicle models by shell finite elements since most of the geometry of the structural surfaces was already on computer graphic files. Kee Poong Kim and Hoon Huh emphasize that the crashworthiness of each vehicle part needs to be evaluated at the initial stage of design for good performance of an assembled vehicle. As the dynamic behaviour of structural members is different from the static one, the crashworthiness of the vehicle structures has to be assessed by impact analysis. The paper analyzes the influence of trigger geometry upon the compression of thin-walled cylindrical tubes. Simulations performed on a simple model showed the dependence between triggers area and deformation times as well as the maximum deformations obtained for various speeds at which the simulations ware carried out. Likewise, the geometry of trigger leads to different results.

A General Interface Method for Aeroelastic Analysis of Aircraft

NASA Technical Reports Server (NTRS)

Tzong, T.; Chen, H. H.; Chang, K. C.; Wu, T.; Cebeci, T.

1996-01-01

The aeroelastic analysis of an aircraft requires an accurate and efficient procedure to couple aerodynamics and structures. The procedure needs an interface method to bridge the gap between the aerodynamic and structural models in order to transform loads and displacements. Such an interface method is described in this report. This interface method transforms loads computed by any aerodynamic code to a structural finite element (FE) model and converts the displacements from the FE model to the aerodynamic model. The approach is based on FE technology in which virtual work is employed to transform the aerodynamic pressures into FE nodal forces. The displacements at the FE nodes are then converted back to aerodynamic grid points on the aircraft surface through the reciprocal theorem in structural engineering. The method allows both high and crude fidelities of both models and does not require an intermediate modeling. In addition, the method performs the conversion of loads and displacements directly between individual aerodynamic grid point and its corresponding structural finite element and, hence, is very efficient for large aircraft models. This report also describes the application of this aero-structure interface method to a simple wing and an MD-90 wing. The results show that the aeroelastic effect is very important. For the simple wing, both linear and nonlinear approaches are used. In the linear approach, the deformation of the structural model is considered small, and the loads from the deformed aerodynamic model are applied to the original geometry of the structure. In the nonlinear approach, the geometry of the structure and its stiffness matrix are updated in every iteration and the increments of loads from the previous iteration are applied to the new structural geometry in order to compute the displacement increments. Additional studies to apply the aero-structure interaction procedure to more complicated geometry will be conducted in the second phase of the present contract.

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

H.E. Mynick, P. Xanthopoulos and A.H. Boozer

Using the nonlinear gyrokinetic code package GENE/GIST, we study the turbulent transport in a broad family of stellarator designs, to understand the geometry-dependence of the microturbulence. By using a set of flux tubes on a given flux surface, we construct a picture of the 2D structure of the microturbulence over that surface, and relate this to relevant geometric quantities, such as the curvature, local shear, and effective potential in the Schrodinger-like equation governing linear drift modes.

Aeroelastic Deflection of NURBS Geometry

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.

1998-01-01

The purpose of this paper is to present an algorithm for using NonUniform Rational B-Spline (NURBS) representation in an aeroelastic loop. The algorithm is based on creating a least-squares NURBS surface representing the aeroelastic defection. The resulting NURBS surfaces are used to update either the original Computer- Aided Design (CAD) model, Computational Structural Mechanics (CSM) grid or the Computational Fluid Dynamics (CFD) grid. Results are presented for a generic High-Speed Civil Transport (HSCT).

Surface plasmon polariton Akhmediev Breather in a dielectric-metal-dielectric geometry with subwavelength thickness

NASA Astrophysics Data System (ADS)

Devi, Koijam Monika; Porsezian, K.; Sarma, Amarendra K.

2018-05-01

We report Akhmediev Breather solutions in a nonlinear multilayer structure comprising of a metal sandwiched between two semi-infinite dielectric layers with subwavelength thickness. These nonlinear solutions inherit the properties of Surface plasmon polaritons and its dynamics is governed by the Nonlinear Schrodinger equation. The breather evolution is studied for specific values of nonlinear and dispersion parameters. An experimental scheme to observe these breathers is also proposed.

Femtosecond laser-induced periodic surface structures on steel and titanium alloy for tribological applications

NASA Astrophysics Data System (ADS)

Bonse, J.; Koter, R.; Hartelt, M.; Spaltmann, D.; Pentzien, S.; Höhm, S.; Rosenfeld, A.; Krüger, J.

2014-10-01

Laser-induced periodic surface structures (LIPSS, ripples) were generated on stainless steel (100Cr6) and titanium alloy (Ti6Al4V) surfaces upon irradiation with multiple femtosecond laser pulses (pulse duration 30 fs, central wavelength 790 nm). The experimental conditions (laser fluence, spatial spot overlap) were optimized in a sample-scanning geometry for the processing of large surface areas (5 × 5 mm2) covered homogeneously by the nanostructures. The irradiated surface regions were subjected to white light interference microscopy and scanning electron microscopy revealing spatial periods around 600 nm. The tribological performance of the nanostructured surface was characterized by reciprocal sliding against a ball of hardened steel in paraffin oil and in commercial engine oil as lubricants, followed by subsequent inspection of the wear tracks. For specific conditions, on the titanium alloy a significant reduction of the friction coefficient by a factor of more than two was observed on the laser-irradiated (LIPSS-covered) surface when compared to the non-irradiated one, indicating the potential benefit of laser surface structuring for tribological applications.

Open-Source Selective Laser Sintering (OpenSLS) of Nylon and Biocompatible Polycaprolactone

PubMed Central

Paulsen, Samantha J.; Hwang, Daniel H.; Ta, Anderson H.; Yalacki, David R.; Schmidt, Tim; Miller, Jordan S.

2016-01-01

Selective Laser Sintering (SLS) is an additive manufacturing process that uses a laser to fuse powdered starting materials into solid 3D structures. Despite the potential for fabrication of complex, high-resolution structures with SLS using diverse starting materials (including biomaterials), prohibitive costs of commercial SLS systems have hindered the wide adoption of this technology in the scientific community. Here, we developed a low-cost, open-source SLS system (OpenSLS) and demonstrated its capacity to fabricate structures in nylon with sub-millimeter features and overhanging regions. Subsequently, we demonstrated fabrication of polycaprolactone (PCL) into macroporous structures such as a diamond lattice. Widespread interest in using PCL for bone tissue engineering suggests that PCL lattices are relevant model scaffold geometries for engineering bone. SLS of materials with large powder grain size (~500 μm) leads to part surfaces with high roughness, so we further introduced a simple vapor-smoothing technique to reduce the surface roughness of sintered PCL structures which further improves their elastic modulus and yield stress. Vapor-smoothed PCL can also be used for sacrificial templating of perfusable fluidic networks within orthogonal materials such as poly(dimethylsiloxane) silicone. Finally, we demonstrated that human mesenchymal stem cells were able to adhere, survive, and differentiate down an osteogenic lineage on sintered and smoothed PCL surfaces, suggesting that OpenSLS has the potential to produce PCL scaffolds useful for cell studies. OpenSLS provides the scientific community with an accessible platform for the study of laser sintering and the fabrication of complex geometries in diverse materials. PMID:26841023

Open-Source Selective Laser Sintering (OpenSLS) of Nylon and Biocompatible Polycaprolactone.

PubMed

Kinstlinger, Ian S; Bastian, Andreas; Paulsen, Samantha J; Hwang, Daniel H; Ta, Anderson H; Yalacki, David R; Schmidt, Tim; Miller, Jordan S

2016-01-01

Selective Laser Sintering (SLS) is an additive manufacturing process that uses a laser to fuse powdered starting materials into solid 3D structures. Despite the potential for fabrication of complex, high-resolution structures with SLS using diverse starting materials (including biomaterials), prohibitive costs of commercial SLS systems have hindered the wide adoption of this technology in the scientific community. Here, we developed a low-cost, open-source SLS system (OpenSLS) and demonstrated its capacity to fabricate structures in nylon with sub-millimeter features and overhanging regions. Subsequently, we demonstrated fabrication of polycaprolactone (PCL) into macroporous structures such as a diamond lattice. Widespread interest in using PCL for bone tissue engineering suggests that PCL lattices are relevant model scaffold geometries for engineering bone. SLS of materials with large powder grain size (~500 μm) leads to part surfaces with high roughness, so we further introduced a simple vapor-smoothing technique to reduce the surface roughness of sintered PCL structures which further improves their elastic modulus and yield stress. Vapor-smoothed PCL can also be used for sacrificial templating of perfusable fluidic networks within orthogonal materials such as poly(dimethylsiloxane) silicone. Finally, we demonstrated that human mesenchymal stem cells were able to adhere, survive, and differentiate down an osteogenic lineage on sintered and smoothed PCL surfaces, suggesting that OpenSLS has the potential to produce PCL scaffolds useful for cell studies. OpenSLS provides the scientific community with an accessible platform for the study of laser sintering and the fabrication of complex geometries in diverse materials.

SPONTANEOUS FORMATION OF SURFACE MAGNETIC STRUCTURE FROM LARGE-SCALE DYNAMO IN STRONGLY STRATIFIED CONVECTION

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

Masada, Youhei; Sano, Takayoshi, E-mail: ymasada@auecc.aichi-edu.ac.jp, E-mail: sano@ile.osaka-u.ac.jp

We report the first successful simulation of spontaneous formation of surface magnetic structures from a large-scale dynamo by strongly stratified thermal convection in Cartesian geometry. The large-scale dynamo observed in our strongly stratified model has physical properties similar to those in earlier weakly stratified convective dynamo simulations, indicating that the α {sup 2}-type mechanism is responsible for the dynamo. In addition to the large-scale dynamo, we find that large-scale structures of the vertical magnetic field are spontaneously formed in the convection zone (CZ) surface only in cases with a strongly stratified atmosphere. The organization of the vertical magnetic field proceedsmore » in the upper CZ within tens of convective turnover time and band-like bipolar structures recurrently appear in the dynamo-saturated stage. We consider several candidates to be possibly be the origin of the surface magnetic structure formation, and then suggest the existence of an as-yet-unknown mechanism for the self-organization of the large-scale magnetic structure, which should be inherent in the strongly stratified convective atmosphere.« less

Reconstruction of Human Monte Carlo Geometry from Segmented Images

NASA Astrophysics Data System (ADS)

Zhao, Kai; Cheng, Mengyun; Fan, Yanchang; Wang, Wen; Long, Pengcheng; Wu, Yican

2014-06-01

Human computational phantoms have been used extensively for scientific experimental analysis and experimental simulation. This article presented a method for human geometry reconstruction from a series of segmented images of a Chinese visible human dataset. The phantom geometry could actually describe detailed structure of an organ and could be converted into the input file of the Monte Carlo codes for dose calculation. A whole-body computational phantom of Chinese adult female has been established by FDS Team which is named Rad-HUMAN with about 28.8 billion voxel number. For being processed conveniently, different organs on images were segmented with different RGB colors and the voxels were assigned with positions of the dataset. For refinement, the positions were first sampled. Secondly, the large sums of voxels inside the organ were three-dimensional adjacent, however, there were not thoroughly mergence methods to reduce the cell amounts for the description of the organ. In this study, the voxels on the organ surface were taken into consideration of the mergence which could produce fewer cells for the organs. At the same time, an indexed based sorting algorithm was put forward for enhancing the mergence speed. Finally, the Rad-HUMAN which included a total of 46 organs and tissues was described by the cuboids into the Monte Carlo Monte Carlo Geometry for the simulation. The Monte Carlo geometry was constructed directly from the segmented images and the voxels was merged exhaustively. Each organ geometry model was constructed without ambiguity and self-crossing, its geometry information could represent the accuracy appearance and precise interior structure of the organs. The constructed geometry largely retaining the original shape of organs could easily be described into different Monte Carlo codes input file such as MCNP. Its universal property was testified and high-performance was experimentally verified

Ab initio conformational analysis of N-formyl ?-alanine amide including electron correlation

NASA Astrophysics Data System (ADS)

Yu, Ching-Hsing; Norman, Mya A.; Schäfer, Lothar; Ramek, Michael; Peeters, Anik; van Alsenoy, Christian

2001-06-01

The conformational properties of N-formyl L-alanine amide (ALA) were investigated using RMP2/6-311G∗∗ ab initio gradient geometry optimization. One hundred forty four structures of ALA were optimized at 30° grid points in its φ(N-C(α)), ψ(C(α)-C‧) conformational space. Using cubic spline functions, the grid structures were then used to construct analytical representations of complete surfaces, in φ,ψ-space, of bond lengths, bond angles, torsional sensitivity and electrostatic atomic charges. Analyses show that, in agreement with previous studies, the right-handed helical conformation, αR, is not a local energy minimum of the potential energy surface of ALA. Comparisons with protein crystallographic data show that the characteristic differences between geometrical trends in dipeptides and proteins, previously found for ab initio dipeptide structures obtained without electron correlation, are also found in the electron-correlated geometries. In contrast to generally accepted features of force fields used in empirical molecular modeling, partial atomic charges obtained by the CHELPG method are found to be not constant, but to vary significantly throughout the φ,ψ-space. By comparing RHF and MP2 structures, the effects of dispersion forces on ALA were studied, revealing molecular contractions for those conformations, in which small adjustments of torsional angles entail large changes in non-bonded distances.

Theoretical modeling and design of photonic structures in zeolite nanocomposites for gas sensing. Part I: surface relief gratings.

PubMed

Cody, D; Naydenova, I

2017-12-01

The suitability of holographic structures fabricated in zeolite nanoparticle-polymer composite materials for gas sensing applications has been investigated. Theoretical modeling of the sensor response (i.e., change in hologram readout due to a change in refractive index modulation or thickness as a result of gas adsorption) of different sensor designs was carried out using Raman-Nath theory and Kogelnik's coupled wave theory. The influence of a range of parameters on the sensor response of holographically recorded surface and volume photonic grating structures has been studied, namely the phase difference between the diffracted and probe beam introduced by the grating, grating geometry, thickness, spatial frequency, reconstruction wavelength, and zeolite nanoparticle refractive index. From this, the optimum fabrication conditions for both surface and volume holographic gas sensor designs have been identified. Here, in part I, results from theoretical modeling of the influence of design on the sensor response of holographically inscribed surface relief structures for gas sensing applications is reported.

Scanning electron microscope investigation of the structural growth in thick sputtered coatings

NASA Technical Reports Server (NTRS)

Spalvins, T.

1975-01-01

Sputtered S-Monel, silver, and 304 stainless steel coatings and molybdenum disulfide coatings were deposited on mica and metal substrates with various surface finishes to investigate the structural growth of the coating by scanning electron microscopy. The geometry and the surface morphology of the nodules are characterized. Compositional changes within the coating were analyzed by energy dispersive X-ray analysis. Defects in the surface finish act as preferential nucleation sites and form isolated overlapping and complex nodules and various unusual surface overgrowths on the coating. The nodule boundaries are very vulnerable to chemical etching and these nodules do not disappear after full annealing. Further, they have undesirable effects on mechanical properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces.

Geometry of the perceptual space

NASA Astrophysics Data System (ADS)

Assadi, Amir H.; Palmer, Stephen; Eghbalnia, Hamid; Carew, John

1999-09-01

The concept of space and geometry varies across the subjects. Following Poincare, we consider the construction of the perceptual space as a continuum equipped with a notion of magnitude. The study of the relationships of objects in the perceptual space gives rise to what we may call perceptual geometry. Computational modeling of objects and investigation of their deeper perceptual geometrical properties (beyond qualitative arguments) require a mathematical representation of the perceptual space. Within the realm of such a mathematical/computational representation, visual perception can be studied as in the well-understood logic-based geometry. This, however, does not mean that one could reduce all problems of visual perception to their geometric counterparts. Rather, visual perception as reported by a human observer, has a subjective factor that could be analytically quantified only through statistical reasoning and in the course of repetitive experiments. Thus, the desire to experimentally verify the statements in perceptual geometry leads to an additional probabilistic structure imposed on the perceptual space, whose amplitudes are measured through intervention by human observers. We propose a model for the perceptual space and the case of perception of textured surfaces as a starting point for object recognition. To rigorously present these ideas and propose computational simulations for testing the theory, we present the model of the perceptual geometry of surfaces through an amplification of theory of Riemannian foliation in differential topology, augmented by statistical learning theory. When we refer to the perceptual geometry of a human observer, the theory takes into account the Bayesian formulation of the prior state of the knowledge of the observer and Hebbian learning. We use a Parallel Distributed Connectionist paradigm for computational modeling and experimental verification of our theory.

Study of Chemistry and Structure-Property Relationship on Tunable Plasmonic Nanostructures

NASA Astrophysics Data System (ADS)

Jing, Hao

In this dissertation, the rational design and controllable fabrication of an array of novel plasmonic nanostructures with geometrically tunable optical properties are demonstrated, including metal-semiconductor hybrid hetero-nanoparticles, bimetallic noble metal nanoparticles and hollow nanostructures (nanobox and nanocage). Firstly, I have developed a robust wet chemistry approach to the geometry control of Ag-Cu2O core-shell nanoparticles through epitaxial growth of Cu2O nanoshells on the surfaces of various Ag nanostructures, such as quasi-spherical nanoparticles, nanocubes, and nanocuboids. Precise control over the core and the shell geometries enables me to develop detailed, quantitative understanding of how the Cu2O nanoshells introduce interesting modifications to the resonance frequencies and the extinction spectral line shapes of multiple plasmon modes of the Ag cores. Secondly, I present a detailed and systematic study of the controlled overgrowth of Pd on Au nanorods. The overgrowth of Pd nanoshells with fine-controlled dimensions and architectures on single-crystalline Au nanorods through seed-mediated growth protocol in the presence of various surfactants is investigated. Thirdly, I have demonstrated that creation of high-index facets on subwavelength metallic nanoparticles provides a unique approach to the integration of desired plasmonic and catalytic properties on the same nanoparticle. Through site-selective surface etching of metallic nanocuboids whose surfaces are dominated by low-index facets, I have controllably fabricated nanorice and nanodumbbell particles, which exhibit drastically enhanced catalytic activities arising from the catalytically active high index facets abundant on the particle surfaces. And the nanorice and nanodumbbell particles also possess appealing tunable plasmonic properties that allow us to gain quantitative insights into nanoparticle-catalyzed reactions with unprecedented sensitivity and detail through time-resolved plasmon-enhanced spectroscopic measurements, such as surface-enhanced Raman scattering (SERS). Last but not least, I have demonstrated that the capability of geometry control over Ag-Pd bimetallic hollow nanostructures through nanoscale galvanic replacement can be greatly enhanced by the use of appropriate mild reducing agents, such as ascorbic acid and formaldehyde. With the aid of mild reducing agents, we have been able to fine-tailor the compositions, interior architectures, and surface morphologies of Ag-Pd bimetallic hollow nanoparticles with increased structural complexity through surface ligand-free galvanic replacement processes at room temperature. This reducing agent-mediated galvanic replacement provides a unique way of achieving both enhanced optical tunability and optimized catalytic activities through deliberate control over the geometries of complex Ag-Pd bimetallic nanoparticles.

Geological and Structural Patterns on Titan Enhanced Through Cassini's SAR PCA and High-Resolution Radiometry

NASA Astrophysics Data System (ADS)

Paganelli, F.; Schubert, G.; Lopes, R. M. C.; Malaska, M.; Le Gall, A. A.; Kirk, R. L.

2016-12-01

The current SAR data coverage on Titan encompasses several areas in which multiple radar passes are present and overlapping, providing additional information to aid the interpretation of geological and structural features. We exploit the different combinations of look direction and variable incidence angle to examine Cassini Synthetic Aperture RADAR (SAR) data using the Principal Component Analysis (PCA) technique and high-resolution radiometry, as a tool to aid in the interpretation of geological and structural features. Look direction and variable incidence angle is of particular importance in the analysis of variance in the images, which aid in the perception and identification of geological and structural features, as extensively demonstrated in Earth and planetary examples. The PCA enhancement technique uses projected non-ortho-rectified SAR imagery in order to maintain the inherent differences in scattering and geometric properties due to the different look directions, while enhancing the geometry of surface features. The PC2 component provides a stereo view of the areas in which complex surface features and structural patterns can be enhanced and outlined. We focus on several areas of interest, in older and recently acquired flybys, in which evidence of geological and structural features can be enhanced and outlined in the PC1 and PC2 components. Results of this technique provide enhanced geometry and insights into the interpretation of the observed geological and structural features, thus allowing a better understanding towards the geology and tectonics on Titan.

Enhancement of thermoelectric characteristics in AlGaN/GaN films deposited on inverted pyramidal Si surfaces

NASA Astrophysics Data System (ADS)

Yalamarthy, Ananth Saran; So, Hongyun; Senesky, Debbie G.

2017-07-01

In this letter, we demonstrate an engineering strategy to boost thermoelectric power factor via geometry-induced properties of the pyramid structure. Aluminum gallium nitride (AlGaN)/GaN heterostructured films grown on inverted pyramidal silicon (Si) demonstrate higher power factor as compared to those grown on conventional flat Si substrates. We found that the magnitude of the Seebeck coefficient at room temperature increased from approximately 297 μVK-1 for the flat film to approximately 849 μVK-1 for the film on inverted pyramidal Si. In addition, the "effective" electrical conductivity of the AlGaN/GaN on the inverted pyramidal structure increased compared to the flat structure, generating an enhancement of thermoelectric power factor. The results demonstrate how manipulation of geometry can be used to achieve better thermoelectric characteristics in a manner that could be scaled to a variety of different material platforms.

Structural, electronic and vibrational properties of few-layer 2H-and 1T-TaSe 2

DOE PAGES

Yan, Jia -An; Dela Cruz, Mack A.; Cook, Brandon G.; ...

2015-11-16

Two-dimensional metallic transition metal dichalcogenides (TMDs) are of interest for studying phenomena such as charge-density wave (CDW) and superconductivity. Few-layer tantalum diselenides (TaSe 2) are typical metallic TMDs exhibiting rich CDW phase transitions. However, a description of the structural, electronic and vibrational properties for different crystal phases and stacking configurations, essential for interpretation of experiments, is lacking. We present first principles calculations of structural phase energetics, band dispersion near the Fermi level, phonon properties and vibrational modes at the Brillouin zone center for different layer numbers, crystal phases and stacking geometries. Evolution of the Fermi surfaces as well as themore » phonon dispersions as a function of layer number reveals dramatic dimensionality effects in this CDW material. Lastly, our results indicate strong electronic interlayer coupling, detail energetically possible stacking geometries, and provide a basis for interpretation of Raman spectra.« less

Multivariate Tensor-based Morphometry on Surfaces: Application to Mapping Ventricular Abnormalities in HIV/AIDS

PubMed Central

Wang, Yalin; Zhang, Jie; Gutman, Boris; Chan, Tony F.; Becker, James T.; Aizenstein, Howard J.; Lopez, Oscar L.; Tamburo, Robert J.; Toga, Arthur W.; Thompson, Paul M.

2010-01-01

Here we developed a new method, called multivariate tensor-based surface morphometry (TBM), and applied it to study lateral ventricular surface differences associated with HIV/AIDS. Using concepts from differential geometry and the theory of differential forms, we created mathematical structures known as holomorphic one-forms, to obtain an efficient and accurate conformal parameterization of the lateral ventricular surfaces in the brain. The new meshing approach also provides a natural way to register anatomical surfaces across subjects, and improves on prior methods as it handles surfaces that branch and join at complex 3D junctions. To analyze anatomical differences, we computed new statistics from the Riemannian surface metrics - these retain multivariate information on local surface geometry. We applied this framework to analyze lateral ventricular surface morphometry in 3D MRI data from 11 subjects with HIV/AIDS and 8 healthy controls. Our method detected a 3D profile of surface abnormalities even in this small sample. Multivariate statistics on the local tensors gave better effect sizes for detecting group differences, relative to other TBM-based methods including analysis of the Jacobian determinant, the largest and smallest eigenvalues of the surface metric, and the pair of eigenvalues of the Jacobian matrix. The resulting analysis pipeline may improve the power of surface-based morphometry studies of the brain. PMID:19900560

Fabrication and Doping Methods for Silicon Nano- and Micropillar Arrays for Solar-Cell Applications: A Review.

PubMed

Elbersen, Rick; Vijselaar, Wouter; Tiggelaar, Roald M; Gardeniers, Han; Huskens, Jurriaan

2015-11-18

Silicon is one of the main components of commercial solar cells and is used in many other solar-light-harvesting devices. The overall efficiency of these devices can be increased by the use of structured surfaces that contain nanometer- to micrometer-sized pillars with radial p/n junctions. High densities of such structures greatly enhance the light-absorbing properties of the device, whereas the 3D p/n junction geometry shortens the diffusion length of minority carriers and diminishes recombination. Due to the vast silicon nano- and microfabrication toolbox that exists nowadays, many versatile methods for the preparation of such highly structured samples are available. Furthermore, the formation of p/n junctions on structured surfaces is possible by a variety of doping techniques, in large part transferred from microelectronic circuit technology. The right choice of doping method, to achieve good control of junction depth and doping level, can contribute to an improvement of the overall efficiency that can be obtained in devices for energy applications. A review of the state-of-the-art of the fabrication and doping of silicon micro and nanopillars is presented here, as well as of the analysis of the properties and geometry of thus-formed 3D-structured p/n junctions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling the Geometry of Plate Boundary and Seismic Structure in the Southern Ryukyu Trench Subduction Zone, Japan, Using Amphibious Seismic Observations

NASA Astrophysics Data System (ADS)

Yamamoto, Y.; Takahashi, T.; Ishihara, Y.; Kaiho, Y.; Arai, R.; Obana, K.; Nakanishi, A.; Miura, S.; Kodaira, S.; Kaneda, Y.

2018-02-01

Here we present the new model, the geometry of the subducted Philippine Sea Plate interface beneath the southern Ryukyu Trench subduction zone, estimated from seismic tomography and focal mechanism estimation by using passive and active data from a temporary amphibious seismic network and permanent land stations. Using relocated low-angle thrust-type earthquakes, repeating earthquakes, and structural information, we constrained the geometry of plate boundary from the trench axis to a 60 km depth with uncertainties of less than 5 km. The estimated plate geometry model exhibited large variation, including a pronounced convex structure that may be evidence of a subducted seamount in the eastern portion of study area, whereas the western part appeared smooth. We also found that the active earthquake region near the plate boundary, defined by the distance from our plate geometry model, was clearly separated from the area dominated by short-term slow-slip events (SSEs). The oceanic crust just beneath the SSE-dominant region, the western part of the study area, showed high Vp/Vs ratios (>1.8), whereas the eastern side showed moderate or low Vp/Vs (<1.75). We interpreted this as an indication that high fluid pressures near the surface of the slab are contributing to the SSE activities. Within the toe of the mantle wedge, P and S wave velocities (<7.5 and <4.2 km/s, respectively) lower than those observed through normal mantle peridotite might suggest that some portions of the mantle may be at least 40% serpentinized.

Influence of the geometric configuration of accretion flow on the black hole spin dependence of relativistic acoustic geometry

NASA Astrophysics Data System (ADS)

Tarafdar, Pratik; Das, Tapas K.

Linear perturbation of general relativistic accretion of low angular momentum hydrodynamic fluid onto a Kerr black hole leads to the formation of curved acoustic geometry embedded within the background flow. Characteristic features of such sonic geometry depend on the black hole spin. Such dependence can be probed by studying the correlation of the acoustic surface gravity κ with the Kerr parameter a. The κ-a relationship further gets influenced by the geometric configuration of the accretion flow structure. In this work, such influence has been studied for multitransonic shocked accretion where linear perturbation of general relativistic flow profile leads to the formation of two analogue black hole-type horizons formed at the sonic points and one analogue white hole-type horizon which is formed at the shock location producing divergent acoustic surface gravity. Dependence of the κ-a relationship on the geometric configuration has also been studied for monotransonic accretion, over the entire span of the Kerr parameter including retrograde flow. For accreting astrophysical black holes, the present work thus investigates how the salient features of the embedded relativistic sonic geometry may be determined not only by the background spacetime, but also by the flow configuration of the embedding matter.

The influence of fault geometry and frictional contact properties on slip surface behavior and off-fault damage: insights from quasi-static modeling of small strike-slip faults from the Sierra Nevada, CA

NASA Astrophysics Data System (ADS)

Ritz, E.; Pollard, D. D.

2011-12-01

Geological and geophysical investigations demonstrate that faults are geometrically complex structures, and that the nature and intensity of off-fault damage is spatially correlated with geometric irregularities of the slip surfaces. Geologic observations of exhumed meter-scale strike-slip faults in the Bear Creek drainage, central Sierra Nevada, CA, provide insight into the relationship between non-planar fault geometry and frictional slip at depth. We investigate natural fault geometries in an otherwise homogeneous and isotropic elastic material with a two-dimensional displacement discontinuity method (DDM). Although the DDM is a powerful tool, frictional contact problems are beyond the scope of the elementary implementation because it allows interpenetration of the crack surfaces. By incorporating a complementarity algorithm, we are able to enforce appropriate contact boundary conditions along the model faults and include variable friction and frictional strength. This tool allows us to model quasi-static slip on non-planar faults and the resulting deformation of the surrounding rock. Both field observations and numerical investigations indicate that sliding along geometrically discontinuous or irregular faults may lead to opening of the fault and the formation of new fractures, affecting permeability in the nearby rock mass and consequently impacting pore fluid pressure. Numerical simulations of natural fault geometries provide local stress fields that are correlated to the style and spatial distribution of off-fault damage. We also show how varying the friction and frictional strength along the model faults affects slip surface behavior and consequently influences the stress distributions in the adjacent material.

Close packing of rods on spherical surfaces

NASA Astrophysics Data System (ADS)

Smallenburg, Frank; Löwen, Hartmut

2016-04-01

We study the optimal packing of short, hard spherocylinders confined to lie tangential to a spherical surface, using simulated annealing and molecular dynamics simulations. For clusters of up to twelve particles, we map out the changes in the geometry of the closest-packed configuration as a function of the aspect ratio L/D, where L is the cylinder length and D the diameter of the rods. We find a rich variety of cluster structures. For larger clusters, we find that the best-packed configurations up to around 100 particles are highly dependent on the exact number of particles and aspect ratio. For even larger clusters, we find largely disordered clusters for very short rods (L/D = 0.25), while slightly longer rods (L/D = 0.5 or 1) prefer a global baseball-like geometry of smectic-like domains, similar to the behavior of large-scale nematic shells. Intriguingly, we observe that when compared to their optimal flat-plane packing, short rods adapt to the spherical geometry more efficiently than both spheres and longer rods. Our results provide predictions for experimentally realizable systems of colloidal rods trapped at the interface of emulsion droplets.

A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces.

PubMed

Sidabras, Jason W; Varanasi, Shiv K; Mett, Richard R; Swarts, Steven G; Swartz, Harold M; Hyde, James S

2014-10-01

A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg(2+) doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces

PubMed Central

Sidabras, Jason W.; Varanasi, Shiv K.; Mett, Richard R.; Swarts, Steven G.; Swartz, Harold M.; Hyde, James S.

2014-01-01

A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg2+ doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown. PMID:25362434

A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces

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

Sidabras, Jason W.; Varanasi, Shiv K.; Hyde, James S.

2014-10-15

A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is eithermore » surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg{sup 2+} doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.« less

Integrable structure in discrete shell membrane theory

PubMed Central

Schief, W. K.

2014-01-01

We present natural discrete analogues of two integrable classes of shell membranes. By construction, these discrete shell membranes are in equilibrium with respect to suitably chosen internal stresses and external forces. The integrability of the underlying equilibrium equations is proved by relating the geometry of the discrete shell membranes to discrete O surface theory. We establish connections with generalized barycentric coordinates and nine-point centres and identify a discrete version of the classical Gauss equation of surface theory. PMID:24808755

Integrable structure in discrete shell membrane theory.

PubMed

Schief, W K

2014-05-08

We present natural discrete analogues of two integrable classes of shell membranes. By construction, these discrete shell membranes are in equilibrium with respect to suitably chosen internal stresses and external forces. The integrability of the underlying equilibrium equations is proved by relating the geometry of the discrete shell membranes to discrete O surface theory. We establish connections with generalized barycentric coordinates and nine-point centres and identify a discrete version of the classical Gauss equation of surface theory.

An isogeometric boundary element method for electromagnetic scattering with compatible B-spline discretizations

NASA Astrophysics Data System (ADS)

Simpson, R. N.; Liu, Z.; Vázquez, R.; Evans, J. A.

2018-06-01

We outline the construction of compatible B-splines on 3D surfaces that satisfy the continuity requirements for electromagnetic scattering analysis with the boundary element method (method of moments). Our approach makes use of Non-Uniform Rational B-splines to represent model geometry and compatible B-splines to approximate the surface current, and adopts the isogeometric concept in which the basis for analysis is taken directly from CAD (geometry) data. The approach allows for high-order approximations and crucially provides a direct link with CAD data structures that allows for efficient design workflows. After outlining the construction of div- and curl-conforming B-splines defined over 3D surfaces we describe their use with the electric and magnetic field integral equations using a Galerkin formulation. We use Bézier extraction to accelerate the computation of NURBS and B-spline terms and employ H-matrices to provide accelerated computations and memory reduction for the dense matrices that result from the boundary integral discretization. The method is verified using the well known Mie scattering problem posed over a perfectly electrically conducting sphere and the classic NASA almond problem. Finally, we demonstrate the ability of the approach to handle models with complex geometry directly from CAD without mesh generation.

Facet control of gold nanorods

DOE PAGES

Zhang, Qingfeng; Han, Lili; Jing, Hao; ...

2016-01-21

While great success has been achieved in fine-tuning the aspect ratios and thereby the plasmon resonances of cylindrical Au nanorods, facet control with atomic level precision on the highly curved nanorod surfaces has long been a significantly more challenging task. The intrinsic structural complexity and lack of precise facet control of the nanorod surfaces remain the major obstacles for the atomic-level elucidation of the structure–property relationships that underpin the intriguing catalytic performance of Au nanorods. Here we demonstrate that the facets of single-crystalline Au nanorods can be precisely tailored using cuprous ions and cetyltrimethylammonium bromide as a unique pair ofmore » surface capping competitors to guide the particle geometry evolution during nanorod overgrowth. By deliberately maneuvering the competition between cuprous ions and cetyltrimethylammonium bromide, we have been able to create, in a highly controllable and selective manner, an entire family of nanorod-derived anisotropic multifaceted geometries whose surfaces are enclosed by specific types of well-defined high-index and low-index facets. This facet-controlled nanorod overgrowth approach also allows us to fine-tune the particle aspect ratios while well-preserving all the characteristic facets and geometric features of the faceted Au nanorods. Furthermore, taking full advantage of the combined structural and plasmonic tunability, we have further studied the facet-dependent heterogeneous catalysis on well-faceted Au nanorods using surface-enhanced Raman spectroscopy as an ultrasensitive spectroscopic tool with unique time-resolving and molecular finger-printing capabilities.« less

The geometry of folds in granitoid rocks of northeastern Alberta

NASA Astrophysics Data System (ADS)

Willem Langenberg, C.; Ramsden, John

1980-06-01

Granitoid rocks which predominate in the Precambrian shield of northeastern Alberta show large-scale fold structures. A numerical procedure has been used to obtain modal foliation orientations. This procedure results in the smoothing of folded surfaces that show roughness on a detailed scale. Statistical tests are used to divide the study areas into cylindrical domains. Structural sections can be obtained for each domain, and horizontal and vertical sections are used to construct block diagrams. The projections are performed numerically and plotted by computer. This method permits blocks to be viewed from every possible angle. Both perspective and orthographic projections can be produced. The geometries of a dome in the Tulip Lake area and a synform in the Hooker Lake area have been obtained. The domal structure is compared with polyphase deformational interference patterns and with experimental diapiric structures obtained in a centrifuge system. The synform in the Hooker Lake area may be genetically related to the doming in the Tulip Lake area.

Hydrophobicity of silver surfaces with microparticle geometry

NASA Astrophysics Data System (ADS)

Macko, Ján; Oriňaková, Renáta; Oriňak, Andrej; Kovaľ, Karol; Kupková, Miriam; Erdélyi, Branislav; Kostecká, Zuzana; Smith, Roger M.

2016-11-01

The effect of the duration of the current deposition cycle and the number of current pulses on the geometry of silver microstructured surfaces and on the free surface energy, polarizability, hydrophobicity and thus adhesion force of the silver surfaces has been investigated. The changes in surface hydrophobicity were entirely dependent on the size and density of the microparticles on the surface. The results showed that formation of the silver microparticles was related to number of current pulses, while the duration of one current pulse played only a minor effect on the final surface microparticle geometry and thus on the surface tension and hydrophobicity. The conventional geometry of the silver particles has been transformed to the fractal dimension D. The surface hydrophobicity depended predominantly on the length of the dendrites not on their width. The highest silver surface hydrophobicity was observed on a surface prepared by 30 current pulses with a pulse duration of 1 s, the lowest one when deposition was performed by 10 current pulses with a duration of 0.1 s. The partial surface tension coefficients γDS and polarizability kS of the silver surfaces were calculated. Both parameters can be applied in future applications in living cells adhesion prediction and spectral method selection. Silver films with microparticle geometry showed a lower variability in final surface hydrophobicity when compared to nanostructured surfaces. The comparisons could be used to modify surfaces and to modulate human cells and bacterial adhesion on body implants, surgery instruments and clean surfaces.

Selective adsorption of a supramolecular structure on flat and stepped gold surfaces

NASA Astrophysics Data System (ADS)

Peköz, Rengin; Donadio, Davide

2018-04-01

Halogenated aromatic molecules assemble on surfaces forming both hydrogen and halogen bonds. Even though these systems have been intensively studied on flat metal surfaces, high-index vicinal surfaces remain challenging, as they may induce complex adsorbate structures. The adsorption of 2,6-dibromoanthraquinone (2,6-DBAQ) on flat and stepped gold surfaces is studied by means of van der Waals corrected density functional theory. Equilibrium geometries and corresponding adsorption energies are systematically investigated for various different adsorption configurations. It is shown that bridge sites and step edges are the preferred adsorption sites for single molecules on flat and stepped surfaces, respectively. The role of van der Waals interactions, halogen bonds and hydrogen bonds are explored for a monolayer coverage of 2,6-DBAQ molecules, revealing that molecular flexibility and intermolecular interactions stabilize two-dimensional networks on both flat and stepped surfaces. Our results provide a rationale for experimental observation of molecular carpeting on high-index vicinal surfaces of transition metals.

Spontaneous wrinkling in azlactone-based functional polymer thin films in 2D and 3D geometries for guided nanopatterning

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

Ramanathan, Muruganathan; Lokitz, Bradley S.; Messman, Jamie M.

We report a simple, one step process for developing wrinkling patterns in azlactone-based polymer thin films and brushes in 2D and 3D surfaces. The polymer used in this work wrinkles spontaneously upon deposition and solidification on a substrate without applying any external strain to the substrate, with the mode of deposition defining the direction of the wrinkles. Wrinkle formation is shown to occur on a variety of substrates over large areas. We also find that a very thin brush-like layer of an azlactone-containing block copolymer also exhibits wrinkled topology. Given the spontaneity and versatility of wrinkle formation, we further demonstratemore » two proofs-of-concept, i) that these periodic wrinkled structures are not limited to planar surfaces, but are also developed in complex geometries including tubes, cones and other 3D structures; and ii) that this one-step wrinkling process can be used to guide the deposition of metal nanoparticles and quantum dots, creating a periodic, nanopatterned film.« less

Multipole and field uniformity tailoring of a 750 MHz rf dipole

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

Delayen, Jean R.; Castillo, Alejandro

2014-12-01

In recent years great interest has been shown in developing rf structures for beam separation, correction of geometrical degradation on luminosity, and diagnostic applications in both lepton and hadron machines. The rf dipole being a very promising one among all of them. The rf dipole has been tested and proven to have attractive properties that include high shunt impedance, low and balance surface fields, absence of lower order modes and far-spaced higher order modes that simplify their damping scheme. As well as to be a compact and versatile design in a considerable range of frequencies, its fairly simple geometry dependencymore » is suitable both for fabrication and surface treatment. The rf dipole geometry can also be optimized for lowering multipacting risk and multipole tailoring to meet machine specific field uniformity tolerances. In the present work a survey of field uniformities, and multipole contents for a set of 750 MHz rf dipole designs is presented as both a qualitative and quantitative analysis of the inherent flexibility of the structure and its limitations.« less

Geometric shape control of thin film ferroelectrics and resulting structures

DOEpatents

McKee, Rodney A.; Walker, Frederick J.

2000-01-01

A monolithic crystalline structure and a method of making involves a semiconductor substrate, such as silicon, and a ferroelectric film, such as BaTiO.sub.3, overlying the surface of the substrate wherein the atomic layers of the ferroelectric film directly overlie the surface of the substrate. By controlling the geometry of the ferroelectric thin film, either during build-up of the thin film or through appropriate treatment of the thin film adjacent the boundary thereof, the in-plane tensile strain within the ferroelectric film is relieved to the extent necessary to permit the ferroelectric film to be poled out-of-plane, thereby effecting in-plane switching of the polarization of the underlying substrate material. The method of the invention includes the steps involved in effecting a discontinuity of the mechanical restraint at the boundary of the ferroelectric film atop the semiconductor substrate by, for example, either removing material from a ferroelectric film which has already been built upon the substrate, building up a ferroelectric film upon the substrate in a mesa-shaped geometry or inducing the discontinuity at the boundary by ion beam deposition techniques.

Characterization of wafer-level bonded hermetic packages using optical leak detection

NASA Astrophysics Data System (ADS)

Duan, Ani; Wang, Kaiying; Aasmundtveit, Knut; Hoivik, Nils

2009-07-01

For MEMS devices required to be operated in a hermetic environment, one of the main reliability issues is related to the packaging methods applied. In this paper, an optical method for testing low volume hermetic cavities formed by anodic bonding between glass and SOI (silicon on insulator) wafer is presented. Several different cavity-geometry structures have been designed, fabricated and applied to monitor the hermeticity of wafer level anodic bonding. SOI wafer was used as the cap wafer on which the different-geometry structures were fabricated using standard MEMS technology. The test cavities were bonded using SOI wafers to glass wafers at 400C and 1000mbar pressure inside a vacuum bonding chamber. The bonding voltage varies from 200V to 600V. The bonding strength between glass and SOI wafer was mechanically tested using shear tester. The deformation amplitudes of the cavity cap surface were monitored by using an optical interferometer. The hermeticity of the glass-to-SOI wafer level bonding was characterized through observing the surface deformation in a 6 months period in atmospheric environment. We have observed a relatively stable micro vacuum-cavity.

Development of asymmetric stent for treatment of eccentric plaque.

PubMed

Syaifudin, Achmad; Takeda, Ryo; Sasaki, Katsuhiko

2018-01-01

The selection of stent and balloon type is decisive in the stenting process. In the treatment of an eccentric plaque obstruction, a symmetric expansion from stent dilatation generates nonuniform stress distribution, which may aggravate fibrous cap prone to rupture. This paper developed a new stent design to treat eccentric plaque using structural transient dynamic analysis in ANSYS. A non-symmetric structural geometry of stent is generated to obtain reasonable stress distribution safe for the arterial layer surrounding the stent. To derive the novel structural geometry, a Sinusoidal stent type is modified by varying struts length and width, adding bridges, and varying curvature width of struts. An end ring of stent struts was also modified to eliminate dogboning phenomenon and to reduce the Ectropion angle. Two balloon types were used to deploy the stent, an ordinary cylindrical and offset balloon. Positive modification results were used to construct the final non-symmetric stent design, called an Asymmetric stent. Analyses of the deformation characteristics, changes in surface roughness and induced stresses within intact arterial layer were subsequently examined. Interaction between the stent and vessel wall was implemented by means of changes in surface roughness and stress distribution analyses. The Palmaz and the Sinusoidal stent were used for a comparative study. This study indicated that the Asymmetric stent types reduced the central radial recoiling and the dogboning phenomenon. In terms of changes in surface roughness and induced stresses, the Asymmetric stent has a comparable effect with that of the Sinusoidal stent. In addition, it could enhance the distribution of surface roughening as expanded by an offset balloon.

BUMPERII - DESIGN ANALYSIS CODE FOR OPTIMIZING SPACECRAFT SHIELDING AND WALL CONFIGURATION FOR ORBITAL DEBRIS AND METEOROID IMPACTS

NASA Technical Reports Server (NTRS)

Hill, S. A.

1994-01-01

BUMPERII is a modular program package employing a numerical solution technique to calculate a spacecraft's probability of no penetration (PNP) from man-made orbital debris or meteoroid impacts. The solution equation used to calculate the PNP is based on the Poisson distribution model for similar analysis of smaller craft, but reflects the more rigorous mathematical modeling of spacecraft geometry, orientation, and impact characteristics necessary for treatment of larger structures such as space station components. The technique considers the spacecraft surface in terms of a series of flat plate elements. It divides the threat environment into a number of finite cases, then evaluates each element of each threat. The code allows for impact shielding (shadowing) of one element by another in various configurations over the spacecraft exterior, and also allows for the effects of changing spacecraft flight orientation and attitude. Four main modules comprise the overall BUMPERII package: GEOMETRY, RESPONSE, SHIELD, and CONTOUR. The GEOMETRY module accepts user-generated finite element model (FEM) representations of the spacecraft geometry and creates geometry databases for both meteoroid and debris analysis. The GEOMETRY module expects input to be in either SUPERTAB Universal File Format or PATRAN Neutral File Format. The RESPONSE module creates wall penetration response databases, one for meteoroid analysis and one for debris analysis, for up to 100 unique wall configurations. This module also creates a file containing critical diameter as a function of impact velocity and impact angle for each wall configuration. The SHIELD module calculates the PNP for the modeled structure given exposure time, operating altitude, element ID ranges, and the data from the RESPONSE and GEOMETRY databases. The results appear in a summary file. SHIELD will also determine the effective area of the components and the overall model, and it can produce a data file containing the probability of penetration values per surface area for each element in the model. The SHIELD module writes this data file in either SUPERTAB Universal File Format or PATRAN Neutral File Format so threat contour plots can be generated as a post-processing feature of the FEM programs SUPERTAB and PATRAN. The CONTOUR module combines the functions of the RESPONSE module and most of the SHIELD module functions allowing determination of ranges of PNP's by looping over ranges of shield and/or wall thicknesses. A data file containing the PNP's for the corresponding shield and vessel wall thickness is produced. Users may perform sensitivity studies of two kinds. The effects of simple variations in orbital time, surface area, and flux may be analyzed by making changes to the terms in the equation representing the average number of penetrating particles per unit time in the PNP solution equation. The package analyzes other changes, including model environment, surface area, and configuration, by re-running the solution sequence with new GEOMETRY and RESPONSE data. BUMPERII can be run with no interactive output to the screen during execution. This can be particularly useful during batch runs. BUMPERII is written in FORTRAN 77 for DEC VAX series computers running under VMS, and was written for use with the finite-element model code SUPERTAB or PATRAN as both a pre-processor and a post-processor. Use of an alternate FEM code will require either development of a translator to change data format or modification of the GEOMETRY subroutine in BUMPERII. This program is available in DEC VAX BACKUP format on a 9-track 1600 BPI magnetic tape (standard distribution media) or on TK50 tape cartridge. The original BUMPER code was developed in 1988 with the BUMPERII revisions following in 1991 and 1992. SUPERTAB is a former name for I-DEAS. I-DEAS Finite Element Modeling is a trademark of Structural Dynamics Research Corporation. DEC, VAX, VMS and TK50 are trademarks of Digital Equipment Corporation.

Transepithelial and endothelial transport of poly (amidoamine) dendrimers.

PubMed

Kitchens, Kelly M; El-Sayed, Mohamed E H; Ghandehari, Hamidreza

2005-12-14

This article summarizes our efforts to evaluate the potential of poly (amidoamine) (PAMAM) dendrimers as carriers for oral drug delivery. Specifically, the permeability of a series of cationic PAMAM-NH2 (G0-G4) dendrimers across Caco-2 cell monolayers was evaluated as a function of dendrimer generation, concentration, and incubation time. The influence of dendrimer surface charge on the integrity, paracellular permeability, and viability of Caco-2 cell monolayers was monitored by measuring the transepithelial electrical resistance (TEER), 14C-mannitol permeability, and leakage of lactate dehydrogenase (LDH) enzyme, respectively. Microvascular extravasation of PAMAM-NH2 dendrimers in relation to their size, molecular weight, and molecular geometry is also discussed. Results of these studies show that transepithelial transport and microvascular extravasation of PAMAM dendrimers are dependent on their structural features including molecular size, molecular geometry, and surface chemistry. These results suggest that by optimizing the size and surface charge of PAMAM dendrimers, it is possible to develop oral delivery systems based on these carriers for targeted drug delivery.

Axial Surface Mapping of Wrinkle Ridges on Solis Planum, Mars from MOLA Topography: Constraints on Subsurface Blind Thrust Geometry

NASA Technical Reports Server (NTRS)

Vidal, A.; Mueller, K.; Golombek, M. P.

2003-01-01

We undertook axial surface mapping of selected wrinkle ridges on Solis Planum, Mars in order to assess the subsurface geometry of blind thrusts proposed to exist beneath them. This work builds on previous work that defined structural families of wrinkle ridges based on their surface morphology in this region. Although a growing consensus exists for models of wrinkle ridge kinematics and mechanics, a number of current problems remain. These include the origin of topographic offset across the edges of wrinkle ridges, the relationship between broad arches and superposed ridges, the origin of smaller wrinkles, and perhaps most importantly, the trajectory of blind thrusts that underlie wrinkle ridges and accommodate shortening at deeper crustal levels. We are particularly interested in defining the depths at which blind thrusts flatten under wrinkle ridges in order to provide constraints on the brittle-ductile transition during Early Hesperian time. We also seek to test whether wrinkle ridges on Solis Planum develop above reactivated faults or newly formed ones.

Local Geometry and Evolutionary Conservation of Protein Surfaces Reveal the Multiple Recognition Patches in Protein-Protein Interactions

PubMed Central

Laine, Elodie; Carbone, Alessandra

2015-01-01

Protein-protein interactions (PPIs) are essential to all biological processes and they represent increasingly important therapeutic targets. Here, we present a new method for accurately predicting protein-protein interfaces, understanding their properties, origins and binding to multiple partners. Contrary to machine learning approaches, our method combines in a rational and very straightforward way three sequence- and structure-based descriptors of protein residues: evolutionary conservation, physico-chemical properties and local geometry. The implemented strategy yields very precise predictions for a wide range of protein-protein interfaces and discriminates them from small-molecule binding sites. Beyond its predictive power, the approach permits to dissect interaction surfaces and unravel their complexity. We show how the analysis of the predicted patches can foster new strategies for PPIs modulation and interaction surface redesign. The approach is implemented in JET2, an automated tool based on the Joint Evolutionary Trees (JET) method for sequence-based protein interface prediction. JET2 is freely available at www.lcqb.upmc.fr/JET2. PMID:26690684

Lithological and Surface Geometry Joint Inversions Using Multi-Objective Global Optimization Methods

NASA Astrophysics Data System (ADS)

Lelièvre, Peter; Bijani, Rodrigo; Farquharson, Colin

2016-04-01

Geologists' interpretations about the Earth typically involve distinct rock units with contacts (interfaces) between them. In contrast, standard minimum-structure geophysical inversions are performed on meshes of space-filling cells (typically prisms or tetrahedra) and recover smoothly varying physical property distributions that are inconsistent with typical geological interpretations. There are several approaches through which mesh-based minimum-structure geophysical inversion can help recover models with some of the desired characteristics. However, a more effective strategy may be to consider two fundamentally different types of inversions: lithological and surface geometry inversions. A major advantage of these two inversion approaches is that joint inversion of multiple types of geophysical data is greatly simplified. In a lithological inversion, the subsurface is discretized into a mesh and each cell contains a particular rock type. A lithological model must be translated to a physical property model before geophysical data simulation. Each lithology may map to discrete property values or there may be some a priori probability density function associated with the mapping. Through this mapping, lithological inverse problems limit the parameter domain and consequently reduce the non-uniqueness from that presented by standard mesh-based inversions that allow physical property values on continuous ranges. Furthermore, joint inversion is greatly simplified because no additional mathematical coupling measure is required in the objective function to link multiple physical property models. In a surface geometry inversion, the model comprises wireframe surfaces representing contacts between rock units. This parameterization is then fully consistent with Earth models built by geologists, which in 3D typically comprise wireframe contact surfaces of tessellated triangles. As for the lithological case, the physical properties of the units lying between the contact surfaces are set to a priori values. The inversion is tasked with calculating the geometry of the contact surfaces instead of some piecewise distribution of properties in a mesh. Again, no coupling measure is required and joint inversion is simplified. Both of these inverse problems involve high nonlinearity and discontinuous or non-obtainable derivatives. They can also involve the existence of multiple minima. Hence, one can not apply the standard descent-based local minimization methods used to solve typical minimum-structure inversions. Instead, we are applying Pareto multi-objective global optimization (PMOGO) methods, which generate a suite of solutions that minimize multiple objectives (e.g. data misfits and regularization terms) in a Pareto-optimal sense. Providing a suite of models, as opposed to a single model that minimizes a weighted sum of objectives, allows a more complete assessment of the possibilities and avoids the often difficult choice of how to weight each objective. While there are definite advantages to PMOGO joint inversion approaches, the methods come with significantly increased computational requirements. We are researching various strategies to ameliorate these computational issues including parallelization and problem dimension reduction.

Mapping spatial variation in rock properties in relationship to scale-dependent structure using spectral curvature

NASA Astrophysics Data System (ADS)

Stewart, S. A.; Wynn, T. J.

2000-08-01

Maps of the three-dimensional geometry of geologic surfaces show that structural curvature commonly varies with scale of observation: This fact can be viewed as superposition of structures at different wavelengths. Rock properties such as fracture density and orientation reflect the contribution of superimposed structures. For this reason, characterization of geologic surfaces is fundamentally different from purely geometrical characterization, for which local description of surface properties is sufficient. We show that measured curvature decays according to a power law with increasing size of measurement window, so short-wavelength curvatures do not obscure long-wavelength curvatures in the same data set. This property can be taken advantage of in a simple technique for automatically mapping multiwavelength curvatures. At each point on a surface, curvature is measured at a range of wavelengths. This curvature spectrum can be analyzed in map view or collapsed into a single value at each point in space. The results indicate that complex geologic surfaces can be characterized without any prior knowledge of structural wavelengths and orientation. The method should prove useful in applications requiring knowledge of spatial variation in rock properties from remotely sensed data, such as exploration for hydrocarbon reservoirs or nuclear waste repositories.

Electromagnetic scattering by impedance structures

NASA Technical Reports Server (NTRS)

Balanis, Constantine A.; Griesser, Timothy

1987-01-01

The scattering of electromagnetic waves from impedance structures is investigated, and current work on antenna pattern calculation is presented. A general algorithm for determining radiation patterns from antennas mounted near or on polygonal plates is presented. These plates are assumed to be of a material which satisfies the Leontovich (or surface impedance) boundary condition. Calculated patterns including reflection and diffraction terms are presented for numerious geometries, and refinements are included for antennas mounted directly on impedance surfaces. For the case of a monopole mounted on a surface impedance ground plane, computed patterns are compared with experimental measurements. This work in antenna pattern prediction forms the basis of understanding of the complex scattering mechanisms from impedance surfaces. It provides the foundation for the analysis of backscattering patterns which, in general, are more problematic than calculation of antenna patterns. Further proposed study of related topics, including surface waves, corner diffractions, and multiple diffractions, is outlined.

Electronic structure and surface properties of MgB2(0001) upon oxygen adsorption

NASA Astrophysics Data System (ADS)

Kim, Chang-Eun; Ray, Keith G.; Bahr, David F.; Lordi, Vincenzo

2018-05-01

We use density-functional theory to investigate the bulk and surface properties of MgB2. The unique bonding structure of MgB2 is investigated by Bader's atoms-in-molecules, charge density difference, and occupancy projected band structure analyses. Oxygen adsorption on the charge-depleted surfaces of MgB2 is studied by a surface potential energy mapping method, reporting a complete map including low-symmetry binding sites. The B-terminated MgB2(0001) demonstrates reconstruction of the graphenelike B layer, and the reconstructed geometry exposes a threefold site of the subsurface Mg, making it accessible from the surface. Detailed reconstruction mechanisms are studied by simulated annealing method based on ab initio molecular dynamics and nudged elastic band calculations. The surface clustering of B atoms significantly modifies the B 2 p states to occupy low energy valence states. The present paper emphasizes that a thorough understanding of the surface phase may explain an apparent inconsistency in the experimental surface characterization of MgB2. Furthermore, these results suggest that the surface passivation can be an important technical challenge when it comes to development of a superconducting device using MgB2.

Free-energy analysis of spin models on hyperbolic lattice geometries.

PubMed

Serina, Marcel; Genzor, Jozef; Lee, Yoju; Gendiar, Andrej

2016-04-01

We investigate relations between spatial properties of the free energy and the radius of Gaussian curvature of the underlying curved lattice geometries. For this purpose we derive recurrence relations for the analysis of the free energy normalized per lattice site of various multistate spin models in the thermal equilibrium on distinct non-Euclidean surface lattices of the infinite sizes. Whereas the free energy is calculated numerically by means of the corner transfer matrix renormalization group algorithm, the radius of curvature has an analytic expression. Two tasks are considered in this work. First, we search for such a lattice geometry, which minimizes the free energy per site. We conjecture that the only Euclidean flat geometry results in the minimal free energy per site regardless of the spin model. Second, the relations among the free energy, the radius of curvature, and the phase transition temperatures are analyzed. We found out that both the free energy and the phase transition temperature inherit the structure of the lattice geometry and asymptotically approach the profile of the Gaussian radius of curvature. This achievement opens new perspectives in the AdS-CFT correspondence theories.

Technique for Calculating Solution Derivatives With Respect to Geometry Parameters in a CFD Code

NASA Technical Reports Server (NTRS)

Mathur, Sanjay

2011-01-01

A solution has been developed to the challenges of computation of derivatives with respect to geometry, which is not straightforward because these are not typically direct inputs to the computational fluid dynamics (CFD) solver. To overcome these issues, a procedure has been devised that can be used without having access to the mesh generator, while still being applicable to all types of meshes. The basic approach is inspired by the mesh motion algorithms used to deform the interior mesh nodes in a smooth manner when the surface nodes, for example, are in a fluid structure interaction problem. The general idea is to model the mesh edges and nodes as constituting a spring-mass system. Changes to boundary node locations are propagated to interior nodes by allowing them to assume their new equilibrium positions, for instance, one where the forces on each node are in balance. The main advantage of the technique is that it is independent of the volumetric mesh generator, and can be applied to structured, unstructured, single- and multi-block meshes. It essentially reduces the problem down to defining the surface mesh node derivatives with respect to the geometry parameters of interest. For analytical geometries, this is quite straightforward. In the more general case, one would need to be able to interrogate the underlying parametric CAD (computer aided design) model and to evaluate the derivatives either analytically, or by a finite difference technique. Because the technique is based on a partial differential equation (PDE), it is applicable not only to forward mode problems (where derivatives of all the output quantities are computed with respect to a single input), but it could also be extended to the adjoint problem, either by using an analytical adjoint of the PDE or a discrete analog.

Shedding of dual structures in the wake of a surface-mounted low aspect ratio cone

NASA Astrophysics Data System (ADS)

Chen, Zixiang; Martinuzzi, Robert J.

2018-04-01

The periodic shedding of vortex pairs in the turbulent wake of a surface-mounted right cone of aspect ratio 0.867 protruding a thin turbulent boundary layer is investigated experimentally. A phase-averaged volumetric velocity field is reconstructed from planar stereoscopic particle image velocimetry. During a typical (phase-averaged) shedding cycle, counter-rotating base vortices alternately form. These are tilted and stretched to merge with stream-wise tip vortices. The merged structure sheds and is convected downstream. A synthesis of earlier observations suggests that a similar shedding process exists for other low aspect ratio tapered geometries and is more complex than the shedding patterns observed for cantilevered cylinders, despite similarities of the mean flow field structure.

Drop Tower Experiments concerning Fluid Management under Microgravity

NASA Astrophysics Data System (ADS)

Gaulke, Diana; Dreyer, Michael

2012-07-01

Transport and positioning of liquid under microgravity is done utilizing capillary forces. Therefore, capillary transport processes have to be understood for a wide variety of space applications, ranging from propellant management in tanks of space transportation systems to eating and drinking devices for astronauts. There are two types of liquid transportation in microgravity using capillary forces. First, the driven liquid flow in open channels where the capillary forces at free surfaces ensure a gas and vapor free flow. Here it is important to know the limiting flow rate through such an open channel before the free surface collapses and gas is sucked into the channel. A number of different experiments at the drop tower Bremen, on sounding rockets and at the ISS have been conducted to analyse this phenomenon within different geometries. As result a geometry dependent theory for calculating the maximum flow rate has been found. On the other hand liquid positioning and transportation requires the capillary pressure of curved surfaces to achieve a liquid flow to a desired area. Especially for space applications the weight of structure has to be taken into account for development. For example liquid positioning in tanks can be achieved via a complicated set of structure filling the whole tank resulting in heavy devices not reasonable in space applications. Astrium developed in cooperation with ZARM a propellant management device much smaller than the tank volume and ensuring a gas and vapour free supply of propellant to the propulsion system. In the drop tower Bremen a model of this device was tested concerning different microgravity scenarios. To further decrease weight and ensure functionality within different scenarios structure elements are designed as perforated geometries. Capillary transport between perforated plates has been analyzed concerning the influence of geometrical pattern of perforations. The conducted experiments at the drop tower Bremen show the remarkable influence of perforations on the capillary transport capability.

A novel theoretical probe of the SrTiO3 surface under water-splitting conditions

NASA Astrophysics Data System (ADS)

Letchworth-Weaver, Kendra; Gunceler, Deniz; Arias, Tomás; Plaza, Manuel; Huang, Xin; Brock, Joel; Rodriguez-López, Joaquin; Abruña, Hector

2014-03-01

Understanding the reaction mechanisms required to generate hydrogen fuel by photoelectrolysis of water is essential to energy conversion research. These reaction pathways are strongly influenced by the geometry and electronic structure of the electrode surface under water-splitting conditions. Electrochemical microscopy has demonstrated that biasing a SrTiO3 (001) surface can lead to an increase in water-splitting activity. In operando X-ray reflectivity measurements at the Cornell High Energy Synchrotron Source (CHESS) correlate this increase in activity to a significant reorganization in the surface structure but are unable to determine the exact nature of this change. Joint Density-Functional Theory (JDFT), a rigorous yet computationally efficient alternative to molecular dynamics, provides a quantum-mechanical description of an electrode surface in contact with an aqueous environment, and a microscopically detailed description of the interfacial liquid structure. Our JDFT calculations determine the structure of the activated SrTiO3 surface and explore why it is correlated with higher activity for water splitting. With no empirical parameters whatsoever, we predict the X-ray crystal truncation rods for SrTiO3, finding excellent agreement with experiment. Funded by the Energy Materials Center at Cornell (EMC2).

Low-energy surface states in the normal state of α - PdBi 2 superconductor

DOE PAGES

Choi, Hongchul; Neupane, Madhab; Sasagawa, T.; ...

2017-08-25

Topological superconductors as characterized by Majorana surface states have been actively searched for their significance in fundamental science and technological implication. The large spin-orbit coupling in Bi-Pd binaries has stimulated extensive investigations on the topological surface states in these superconducting compounds. Here we report a study of normal-state electronic structure in a centrosymmetric α-PdBi 2 within density functional theory calculations. By investigating the electronic structure from the bulk to slab geometries in this system, we predict for the first time that α-PdBi 2 can host orbital-dependent and asymmetric Rashba surface states near the Fermi energy. This study suggests that α-PdBimore » 2 will be a good candidate to explore the relationship between superconductivity and topology in condensed matter physics.« less

Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Bo, Zheng; Li, Changwen; Yang, Huachao; Ostrikov, Kostya; Yan, Jianhua; Cen, Kefa

2018-06-01

Electric double-layer capacitors (EDLCs) are advanced electrochemical devices for energy storage and have attracted strong interest due to their outstanding properties. Rational optimization of electrode-electrolyte interactions is of vital importance to enhance device performance for practical applications. Molecular dynamics (MD) simulations could provide theoretical guidelines for the optimal design of electrodes and the improvement of capacitive performances, e.g., energy density and power density. Here we discuss recent MD simulation studies on energy storage performance of electrode materials containing porous to nanostructures. The energy storage properties are related to the electrode structures, including electrode geometry and electrode modifications. Altering electrode geometry, i.e., pore size and surface topography, can influence EDL capacitance. We critically examine different types of electrode modifications, such as altering the arrangement of carbon atoms, doping heteroatoms and defects, which can change the quantum capacitance. The enhancement of power density can be achieved by the intensified ion dynamics and shortened ion pathway. Rational control of the electrode morphology helps improve the ion dynamics by decreasing the ion diffusion pathway. Tuning the surface properties (e.g., the affinity between the electrode and the ions) can affect the ion-packing phenomena. Our critical analysis helps enhance the energy and power densities of EDLCs by modulating the corresponding electrode structures and surface properties.[Figure not available: see fulltext.

Distance geometry protocol to generate conformations of natural products to structurally interpret ion mobility-mass spectrometry collision cross sections.

PubMed

Stow, Sarah M; Goodwin, Cody R; Kliman, Michal; Bachmann, Brian O; McLean, John A; Lybrand, Terry P

2014-12-04

Ion mobility-mass spectrometry (IM-MS) allows the separation of ionized molecules based on their charge-to-surface area (IM) and mass-to-charge ratio (MS), respectively. The IM drift time data that is obtained is used to calculate the ion-neutral collision cross section (CCS) of the ionized molecule with the neutral drift gas, which is directly related to the ion conformation and hence molecular size and shape. Studying the conformational landscape of these ionized molecules computationally provides interpretation to delineate the potential structures that these CCS values could represent, or conversely, structural motifs not consistent with the IM data. A challenge in the IM-MS community is the ability to rapidly compute conformations to interpret natural product data, a class of molecules exhibiting a broad range of biological activity. The diversity of biological activity is, in part, related to the unique structural characteristics often observed for natural products. Contemporary approaches to structurally interpret IM-MS data for peptides and proteins typically utilize molecular dynamics (MD) simulations to sample conformational space. However, MD calculations are computationally expensive, they require a force field that accurately describes the molecule of interest, and there is no simple metric that indicates when sufficient conformational sampling has been achieved. Distance geometry is a computationally inexpensive approach that creates conformations based on sampling different pairwise distances between the atoms within the molecule and therefore does not require a force field. Progressively larger distance bounds can be used in distance geometry calculations, providing in principle a strategy to assess when all plausible conformations have been sampled. Our results suggest that distance geometry is a computationally efficient and potentially superior strategy for conformational analysis of natural products to interpret gas-phase CCS data.

Distance Geometry Protocol to Generate Conformations of Natural Products to Structurally Interpret Ion Mobility-Mass Spectrometry Collision Cross Sections

PubMed Central

2015-01-01

Ion mobility-mass spectrometry (IM-MS) allows the separation of ionized molecules based on their charge-to-surface area (IM) and mass-to-charge ratio (MS), respectively. The IM drift time data that is obtained is used to calculate the ion-neutral collision cross section (CCS) of the ionized molecule with the neutral drift gas, which is directly related to the ion conformation and hence molecular size and shape. Studying the conformational landscape of these ionized molecules computationally provides interpretation to delineate the potential structures that these CCS values could represent, or conversely, structural motifs not consistent with the IM data. A challenge in the IM-MS community is the ability to rapidly compute conformations to interpret natural product data, a class of molecules exhibiting a broad range of biological activity. The diversity of biological activity is, in part, related to the unique structural characteristics often observed for natural products. Contemporary approaches to structurally interpret IM-MS data for peptides and proteins typically utilize molecular dynamics (MD) simulations to sample conformational space. However, MD calculations are computationally expensive, they require a force field that accurately describes the molecule of interest, and there is no simple metric that indicates when sufficient conformational sampling has been achieved. Distance geometry is a computationally inexpensive approach that creates conformations based on sampling different pairwise distances between the atoms within the molecule and therefore does not require a force field. Progressively larger distance bounds can be used in distance geometry calculations, providing in principle a strategy to assess when all plausible conformations have been sampled. Our results suggest that distance geometry is a computationally efficient and potentially superior strategy for conformational analysis of natural products to interpret gas-phase CCS data. PMID:25360896

Plasmonic enhancement of second-harmonic generation of dielectric layer embedded in metal-dielectric-metal structure

NASA Astrophysics Data System (ADS)

Kang, Byungjun; Imakita, Kenji; Fujii, Minoru; Hayashi, Shinji

2018-03-01

The enhancement of second-harmonic generation from a dielectric layer embedded in a metal-dielectric-metal structure upon excitation of surface plasmon polaritons is demonstrated experimentally. The metal-dielectric-metal structure consisting of a Gex(SiO2)1-x layer sandwiched by two Ag layers was prepared, and the surface plasmon polaritons were excited in an attenuated total reflection geometry. The measured attenuated total reflection spectra exhibited two reflection dips corresponding to the excitation of two different surface plasmon polariton modes. Strong second-harmonic signals were observed under the excitation of these surface plasmon polariton modes. The results demonstrate that the second-harmonic intensity of the Gex(SiO2)1-x layer is highly enhanced relative to that of the single layer deposited on a substrate. Under the excitation of one of the two surface plasmon polariton modes, the estimated enhancement factor falls in a range between 39.9 and 171, while under the excitation of the other surface plasmon polariton mode, it falls in a range between 3.96 and 84.6.

Magnetic Doppler imaging of Ap stars

NASA Astrophysics Data System (ADS)

Silvester, J.; Wade, G. A.; Kochukhov, O.; Landstreet, J. D.; Bagnulo, S.

2008-04-01

Historically, the magnetic field geometries of the chemically peculiar Ap stars were modelled in the context of a simple dipole field. However, with the acquisition of increasingly sophisticated diagnostic data, it has become clear that the large-scale field topologies exhibit important departures from this simple model. Recently, new high-resolution circular and linear polarisation spectroscopy has even hinted at the presence of strong, small-scale field structures, which were completely unexpected based on earlier modelling. This project investigates the detailed structure of these strong fossil magnetic fields, in particular the large-scale field geometry, as well as small scale magnetic structures, by mapping the magnetic and chemical surface structure of a selected sample of Ap stars. These maps will be used to investigate the relationship between the local field vector and local surface chemistry, looking for the influence the field may have on the various chemical transport mechanisms (i.e., diffusion, convection and mass loss). This will lead to better constraints on the origin and evolution, as well as refining the magnetic field model for Ap stars. Mapping will be performed using high resolution and signal-to-noise ratio time-series of spectra in both circular and linear polarisation obtained using the new-generation ESPaDOnS (CFHT, Mauna Kea, Hawaii) and NARVAL spectropolarimeters (Pic du Midi Observatory). With these data we will perform tomographic inversion of Doppler-broadened Stokes IQUV Zeeman profiles of a large variety of spectral lines using the INVERS10 magnetic Doppler imaging code, simultaneously recovering the detailed surface maps of the vector magnetic field and chemical abundances.

Organic molecules on metal and oxide semiconductor substrates: Adsorption behavior and electronic energy level alignment

NASA Astrophysics Data System (ADS)

Ruggieri, Charles M.

Modern devices such as organic light emitting diodes use organic/oxide and organic/metal interfaces for crucial processes such as charge injection and charge transfer. Understanding fundamental physical processes occurring at these interfaces is essential to improving device performance. The ultimate goal of studying such interfaces is to form a predictive model of interfacial interactions, which has not yet been established. To this end, this thesis focuses on obtaining a better understanding of fundamental physical interactions governing molecular self-assembly and electronic energy level alignment at organic/metal and organic/oxide interfaces. This is accomplished by investigating both the molecular adsorption geometry using scanning tunneling microscopy, as well as the electronic structure at the interface using direct and inverse photoemission spectroscopy, and analyzing the results in the context of first principles electronic structure calculations. First, we study the adsorption geometry of zinc tetraphenylporphyrin (ZnTPP) molecules on three noble metal surfaces: Au(111), Ag(111), and Ag(100). These surfaces were chosen to systematically compare the molecular self-assembly and adsorption behavior on two metals of the same surface symmetry and two surface symmetries of one metal. From this investigation, we improve the understanding of self-assembly at organic/metal interfaces and the relative strengths of competing intermolecular and molecule-substrate interactions that influence molecular adsorption geometry. We then investigate the electronic structure of the ZnTPP/Au(111), Ag(111), and Ag(100) interfaces as examples of weakly-interacting systems. We compare these cases to ZnTPP on TiO2(110), a wide-bandgap oxide semiconductor, and explain the intermolecular and molecule-substrate interactions that determine the electronic energy level alignment at the interface. Finally we study tetracyanoquinodimethane (TCNQ), a strong electron acceptor, on TiO2(110), which exhibits chemical hybridization accompanied by molecular distortion, as well as extreme charge transfer resulting in the development of a space charge layer in the oxide. Thus, we present a broad experimental and theoretical perspective on the study of organic/metal and organic/oxide interfaces, elucidating fundamental physical interactions that govern molecular organization and energy level alignment.

Impact of Cubic Pin Finned Surface Structure Geometry upon Spray Cooling Heat Transfer

NASA Technical Reports Server (NTRS)

Silk, Eric A.; Kim, Jungho; Kiger, Ken

2005-01-01

Experiments were conducted to study the effects of enhanced surface structures on heat flux using spray cooling. The surface enhancements consisted of cubic pin fins machined on the top surface of copper heater blocks. The structure height, pitch, and width were parametrically vaned. Each copper block had a projected cross-sectional area of 2.0 sq cm. Measurements were also obtained on a heater block with a flat surface for baseline comparison purposes. A 2 x 2 nozzle array was used with PF-5060 as the working fluid. Thermal performance data were obtained under nominally degassed (chamber pressure of 41.4 kPa) and gassy conditions (chamber with N2 gas at 100.7 kPa) with a bulk fluid temperature of 20.5 C. Results for both the degassed and gassy cases show that structure width and separation distance have a dominant effect upon the heat transfer for the size ranges used. Cubic pin fin height had little impact upon heat flux. The maximum critical heat flux (CHF) attained for any of the surfaces was 121 W/sq cm, giving an enhancement of 51% relative to the flat surface case under nominally degassed conditions. The gassy case had a maximum CHF of 149 W/sq cm, giving an enhancement of 38% relative to the flat surface case.

Shallow Subsurface Structures of Volcanic Fissures

NASA Astrophysics Data System (ADS)

Parcheta, C. E.; Nash, J.; Mitchell, K. L.; Parness, A.

2015-12-01

Volcanic fissure vents are a difficult geologic feature to quantify. They are often too thin to document in detail with seismology or remote geophysical methods. Additionally, lava flows, lava drain back, or collapsed rampart blocks typically conceal a fissure's surface expression. For exposed fissures, quantifying the surface (let along sub0surface) geometric expression can become an overwhelming and time-consuming task given the non-uniform distribution of wall irregularities, drain back textures, and the larger scale sinuosity of the whole fissure system. We developed (and previously presented) VolcanoBot to acquire robust characteristic data of fissure geometries by going inside accessible fissures after an eruption ends and the fissure cools off to <50 C. Data from VolcanoBot documents the fissure conduit geometry with a near-IR structured light sensor, and reproduces the 3d structures to cm-scale accuracy. Here we present a comparison of shallow subsurface structures (<30 m depth) within the Mauna Ulu fissure system and their counterpart features at the vent-to-ground-surface interface. While we have not mapped enough length of the fissure to document sinuosity at depth, we see a self-similar pattern of irregularities on the fissure walls throughout the entire shallow subsurface, implying a fracture mechanical origin similar to faults. These irregularities are, on average, 1 m across and protrude 30 cm into the drained fissure. This is significantly larger than the 10% wall roughness addressed in the engineering literature on fluid dynamics, and implies that magma fluid dynamics during fissure eruptions are probably not as passive nor as simple as previously thought. In some locations, it is possible to match piercing points across the fissure walls, where the dike broke the wall rock in order to propagate upwards, yet in other locations there are erosional cavities, again, implying complex fluid dynamics in the shallow sub-surface during fissure eruptions.

Theoretical aspects of studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.

2010-10-01

The study of adsorption of oxygen on transition metal surface is important for the understanding of oxidation, heterogeneous catalysis, and metal corrosion. The structures formed on transition metal surfaces vary from simple adlayers of chemisorbed oxygen to oxygen diffusion into the sub-surface region and the formation of oxides. In this work we present the results of an ab-initio investigation of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Calculations are performed for various high coverage missing row structures ranging between 0.50 and 1.50 ML oxygen coverage. Calculations are also performed for the on-surface adsorption of oxygen on the unreconstructed Cu(001) surface for coverages up to one monolayer to use for comparison. The geometry of the surfaces with adsorbed oxygen is fully optimized. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy.

Periodic minimal surfaces

NASA Astrophysics Data System (ADS)

Mackay, Alan L.

1985-04-01

A minimal surface is one for which, like a soap film with the same pressure on each side, the mean curvature is zero and, thus, is one where the two principal curvatures are equal and opposite at every point. For every closed circuit in the surface, the area is a minimum. Schwarz1 and Neovius2 showed that elements of such surfaces could be put together to give surfaces periodic in three dimensions. These periodic minimal surfaces are geometrical invariants, as are the regular polyhedra, but the former are curved. Minimal surfaces are appropriate for the description of various structures where internal surfaces are prominent and seek to adopt a minimum area or a zero mean curvature subject to their topology; thus they merit more complete numerical characterization. There seem to be at least 18 such surfaces3, with various symmetries and topologies, related to the crystallographic space groups. Recently, glyceryl mono-oleate (GMO) was shown by Longley and McIntosh4 to take the shape of the F-surface. The structure postulated is shown here to be in good agreement with an analysis of the fundamental geometry of periodic minimal surfaces.

Multiwalled carbon nanotubes for stray light suppression in space flight instruments

NASA Astrophysics Data System (ADS)

Hagopian, John G.; Getty, Stephanie A.; Quijada, Manuel; Tveekrem, June; Shiri, Ron; Roman, Patrick; Butler, James; Georgiev, Georgi; Livas, Jeff; Hunt, Cleophus; Maldonado, Alejandro; Talapatra, Saikat; Zhang, Xianfeng; Papadakis, Stergios J.; Monica, Andrew H.; Deglau, David

2010-08-01

Observations of the Earth are extremely challenging; its large angular extent floods scientific instruments with high flux within and adjacent to the desired field of view. This bright light diffracts from instrument structures, rattles around and invariably contaminates measurements. Astrophysical observations also are impacted by stray light that obscures very dim objects and degrades signal to noise in spectroscopic measurements. Stray light is controlled by utilizing low reflectance structural surface treatments and by using baffles and stops to limit this background noise. In 2007 GSFC researchers discovered that Multiwalled Carbon Nanotubes (MWCNTs) are exceptionally good absorbers, with potential to provide order-of-magnitude improvement over current surface treatments and a resulting factor of 10,000 reduction in stray light when applied to an entire optical train. Development of this technology will provide numerous benefits including: a.) simplification of instrument stray light controls to achieve equivalent performance, b.) increasing observational efficiencies by recovering currently unusable scenes in high contrast regions, and c.) enabling low-noise observations that are beyond current capabilities. Our objective was to develop and apply MWCNTs to instrument components to realize these benefits. We have addressed the technical challenges to advance the technology by tuning the MWCNT geometry using a variety of methods to provide a factor of 10 improvement over current surface treatments used in space flight hardware. Techniques are being developed to apply the optimized geometry to typical instrument components such as spiders, baffles and tubes. Application of the nanostructures to alternate materials (or by contact transfer) is also being investigated. In addition, candidate geometries have been tested and optimized for robustness to survive integration, testing, launch and operations associated with space flight hardware. The benefits of this technology extend to space science where observations of extremely dim objects require suppression of stray light.

Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

NASA Astrophysics Data System (ADS)

McBriarty, Martin E.

Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.

Integrable perturbed magnetic fields in toroidal geometry: An exact analytical flux surface label for large aspect ratio

NASA Astrophysics Data System (ADS)

Kallinikos, N.; Isliker, H.; Vlahos, L.; Meletlidou, E.

2014-06-01

An analytical description of magnetic islands is presented for the typical case of a single perturbation mode introduced to tokamak plasma equilibrium in the large aspect ratio approximation. Following the Hamiltonian structure directly in terms of toroidal coordinates, the well known integrability of this system is exploited, laying out a precise and practical way for determining the island topology features, as required in various applications, through an analytical and exact flux surface label.

Integrable perturbed magnetic fields in toroidal geometry: An exact analytical flux surface label for large aspect ratio

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

Kallinikos, N.; Isliker, H.; Vlahos, L.

2014-06-15

An analytical description of magnetic islands is presented for the typical case of a single perturbation mode introduced to tokamak plasma equilibrium in the large aspect ratio approximation. Following the Hamiltonian structure directly in terms of toroidal coordinates, the well known integrability of this system is exploited, laying out a precise and practical way for determining the island topology features, as required in various applications, through an analytical and exact flux surface label.

Nanosecond pulsed laser generation of holographic structures on metals

NASA Astrophysics Data System (ADS)

Wlodarczyk, Krystian L.; Ardron, Marcus; Weston, Nick J.; Hand, Duncan P.

2016-03-01

A laser-based process for the generation of phase holographic structures directly onto the surface of metals is presented. This process uses 35ns long laser pulses of wavelength 355nm to generate optically-smooth surface deformations on a metal. The laser-induced surface deformations (LISDs) are produced by either localized laser melting or the combination of melting and evaporation. The geometry (shape and dimension) of the LISDs depends on the laser processing parameters, in particular the pulse energy, as well as on the chemical composition of a metal. In this paper, we explain the mechanism of the LISDs formation on various metals, such as stainless steel, pure nickel and nickel-chromium Inconel® alloys. In addition, we provide information about the design and fabrication process of the phase holographic structures and demonstrate their use as robust markings for the identification and traceability of high value metal goods.

Effect of crystallographical and geometrical changes of a ferrite head on magnetic signals during the sliding process with magnetic tape

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.; Tanaka, K.

1986-01-01

This paper reviews changes in the crystalline structure and geometry of lapped Mn-Zn ferrite heads in sliding contact with magnetic tape and the effects of these changes on magnetic signals. A highly textured, polycrystalline structure was produced on the surface of a single-crystal Mn-Zn ferrite head when it was finished with an aluminum oxide lapping tape. Sliding this lapped surface against a magnetic tape produced a nearly amorphous structure. The sliding process led to a degradation in readback signal of 1 to 2 dB (short-wavelength recording). Furthermore, wear of the magnetic head caused geometrical changes in the head surface. The signal read back with the worn magnetic head was sensitive to operating parameters such as head displacement and tape tension. A change in operating parameters created head-to-tape spacings and, consequently, excessive gains or losses in the readback signal.

High duty cycle far-infrared germanium lasers

NASA Astrophysics Data System (ADS)

Chamberlin, Danielle Russell

The effects of crystal geometry, heat transport, and optics on high duty cycle germanium hole population inversion lasers are investigated. Currently the laser's low duty cycle limits its utility for many applications. This low duty cycle is a result of the combination of the large electrical input power necessary and insufficient heat extraction. In order to achieve a continuous-wave device, the input power must be decreased and the cooling power increased. In order to improve laser efficiency and lower the input power, the effect of laser crystal geometry on the electric field uniformity is considered. Geometries with d/L>>1 or <<1 are shown to have improved electric field uniformity, where d is the distance between electrical contacts and L is the length in the direction of the Hall electric field. A geometry with d/L>>1 is shown to decrease the threshold voltage for lasing. Laser crystals with the traditional contact geometry have been compared to a new, planar contact design with both electrical contacts on the same side of the laser crystal. This new geometry provides a large d/L ratio while also allowing effective heat sinking. A pure, single-crystal silicon heat sink is developed for planar contact design lasers, which improves the duty cycle tenfold. For the traditional contact design, copper heat sinks are developed that demonstrate cooling powers up to 10 Watts. The effects of thermal conductivity, surface area, and interfacial thermal resistance on the heat transport are compared. To improve the cavity quality, thereby allowing for smaller crystal volumes, new optical designs are investigated. A vertical cavity structure is demonstrated for the planar contact structure using strontium titanate single crystals as mirrors. A mode-selecting cavity is implemented for the traditional contact design. The spectra of small-volume, near-threshold lasers are measured. In contrast to the emission of larger lasers, these lasers emit within narrow frequency peaks that do not shift smoothly with magnetic field. The details of the emission are shown to strongly depend on the optical cavity. A record duty cycle of 5% is achieved using a laser of dimensions 0.80 x 3 x 11 mm3 with the traditional contact geometry, improved copper heat sinks, and carefully etched crystal surfaces.

Ab Initio Study of KCl and AgCl Clusters.

NASA Astrophysics Data System (ADS)

McKeough, James; Hira, Ajit; Cathey, Tommy; Valdez, Alexandra

This paper presents a theoretical study of molecular clusters that examines the chemical and physical properties of small KnCln and AgnCln clusters (n = 2 - 24). Due to combinations of attractive and repulsive long-range forces, such clusters exhibit structural and dynamical behavior different from that of homogeneous clusters. The potentially important role of these molecular species in biochemical and medicinal processes is widely known. This work applies the hybrid ab initio methods to derive the different alkali-halide (MnHn) geometries. Of particular interest is the competition between hexagonal ring geometries and rock salt structures. Electronic energies, rotational constants, dipole moments, and vibrational frequencies for these geometries are calculated. Magic numbers for cluster stability are identified and are related to the property of cluster compactness. Mapping of the singlet, triplet, and quintet, potential energy surfaces is performed. Calculations were performed to examine the interactions of these clusters with some atoms and molecules of biological interest, including O, O2, and Fe. Potential design of new medicinal drugs is explored. We will also investigate model and material dependence of the results. AMP program of the National Science Foundation.

Global structure of five-dimensional fuzzballs

NASA Astrophysics Data System (ADS)

Gibbons, G. W.; Warner, N. P.

2014-01-01

We describe and study families of BPS microstate geometries, namely, smooth, horizonless asymptotically flat solutions to supergravity. We examine these solutions from the perspective of earlier attempts to find solitonic solutions in gravity and show how the microstate geometries circumvent the earlier ‘no-go’ theorems. In particular, we re-analyze the Smarr formula and show how it must be modified in the presence of non-trivial second homology. This, combined with the supergravity Chern-Simons terms, allows the existence of rich classes of BPS, globally hyperbolic, asymptotically flat, microstate geometries whose spatial topology is the connected sum of N copies of S2 × S2 with a ‘point at infinity’ removed. These solutions also exhibit ‘evanescent ergo-regions,’ that is, the non-space-like Killing vector guaranteed by supersymmetry is time-like everywhere except on time-like hypersurfaces (ergo-surfaces) where the Killing vector becomes null. As a by-product of our work, we are able to resolve the puzzle of why some regular soliton solutions violate the BPS bound: their spacetimes do not admit a spin structure.

Elastomeric microvalve geometry affects haemocompatibility.

PubMed

Szydzik, Crispin; Brazilek, Rose J; Khoshmanesh, Khashayar; Akbaridoust, Farzan; Knoerzer, Markus; Thurgood, Peter; Muir, Ineke; Marusic, Ivan; Nandurkar, Harshal; Mitchell, Arnan; Nesbitt, Warwick S

2018-06-12

This paper reports on the parameters that determine the haemocompatibility of elastomeric microvalves for blood handling in microfluidic systems. Using a comprehensive investigation of blood function, we describe a hierarchy of haemocompatibility as a function of microvalve geometry and identify a "normally-closed" v-gate pneumatic microvalve design that minimally affects blood plasma fibrinogen and von Willebrand factor composition, minimises effects on erythrocyte structure and function, and limits effects on platelet activation and aggregation, while facilitating rapid switching control for blood sample delivery. We propose that the haemodynamic profile of valve gate geometries is a significant determinant of platelet-dependent biofouling and haemocompatibility. Overall our findings suggest that modification of microvalve gate geometry and consequently haemodynamic profile can improve haemocompatibility, while minimising the requirement for chemical or protein modification of microfluidic surfaces. This biological insight and approach may be harnessed to inform future haemocompatible microfluidic valve and component design, and is an advance towards lab-on-chip automation for blood based diagnostic systems.

Computational theory of line drawing interpretation

NASA Technical Reports Server (NTRS)

Witkin, A. P.

1981-01-01

The recovery of the three dimensional structure of visible surfaces depicted in an image by emphasizing the role of geometric cues present in line drawings, was studied. Three key components are line classification, line interpretation, and surface interpolation. A model for three dimensional line interpretation and surface orientation was refined and a theory for the recovery of surface shape from surface marking geometry was developed. A new approach to the classification of edges was developed and implemented signatures were deduced for each of several edge types, expressed in terms of correlational properties of the image intensities in the vicinity of the edge. A computer program was developed that evaluates image edges as compared with these prototype signatures.

Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO2 surface for dye-sensitized solar cell applications.

PubMed

Prajongtat, Pongthep; Suramitr, Songwut; Nokbin, Somkiat; Nakajima, Koichi; Mitsuke, Koichiro; Hannongbua, Supa

2017-09-01

Structural and electronic properties of eight isolated azo dyes (ArNNAr', where Ar and Ar' denote the aryl groups containing benzene and naphthalene skeletons, respectively) were investigated by density functional theory (DFT) based on the B3LYP/6-31G(d,p) and TD-B3LYP/6-311G(d,p) methods The effect of methanol solvent on the structural and electronic properties of the azo dyes was elucidated by employing a polarizable continuum model (PCM). Then, the azo dyes adsorbed onto the anatase TiO 2 (101) slab surface through a carboxyl group. The geometries and electronic structures of the adsorption complexes were determined using periodic DFT based on the PWC/DNP method. The calculated adsorption energies indicate that the adsorbed dyes preferentially take configuration of the bidentate bridging rather than chelating or monodentate ester-type geometries. Furthermore, the azo compounds having two carboxyl groups are coordinated to the TiO 2 surface more preferentially through the carboxyl group connecting to the benzene skeleton than through that connecting to the naphthalene skeleton. The dihedral angles (Φ B-N ) between the benzene- and naphthalene-skeleton moieties are smaller than 10° for the adsorbed azo compounds containing one carboxyl group. In contrast, Φ B-N > 30° are obtained for the adsorbed azo compounds containing two carboxyl groups. The almost planar conformations of the former appear to strengthen both π-electrons conjugation and electronic coupling between low-lying unoccupied molecular orbitals of the azo dyes and the conduction band of TiO 2 . On the other hand, such coupling is very weak for the latter, leading to a shift of the Fermi level of TiO 2 in the lower-energy direction. The obtained results are useful to the design and synthesize novel azo-dye-based molecules that give rise to higher photovoltaic performances of the dye-sensitized solar cells. Copyright © 2017 Elsevier Inc. All rights reserved.

The optimal design support system for shell components of vehicles using the methods of artificial intelligence

NASA Astrophysics Data System (ADS)

Szczepanik, M.; Poteralski, A.

2016-11-01

The paper is devoted to an application of the evolutionary methods and the finite element method to the optimization of shell structures. Optimization of thickness of a car wheel (shell) by minimization of stress functional is considered. A car wheel geometry is built from three surfaces of revolution: the central surface with the holes destined for the fastening bolts, the surface of the ring of the wheel and the surface connecting the two mentioned earlier. The last one is subjected to the optimization process. The structures are discretized by triangular finite elements and subjected to the volume constraints. Using proposed method, material properties or thickness of finite elements are changing evolutionally and some of them are eliminated. As a result the optimal shape, topology and material or thickness of the structures are obtained. The numerical examples demonstrate that the method based on evolutionary computation is an effective technique for solving computer aided optimal design.

Material optimization of multi-layered enhanced nanostructures

NASA Astrophysics Data System (ADS)

Strobbia, Pietro

The employment of surface enhanced Raman scattering (SERS)-based sensing in real-world scenarios will offer numerous advantages over current optical sensors. Examples of these advantages are the intrinsic and simultaneous detection of multiple analytes, among many others. To achieve such a goal, SERS substrates with throughput and reproducibility comparable to commonly used fluorescence sensors have to be developed. To this end, our lab has discovered a multi-layer geometry, based on alternating films of a metal and a dielectric, that amplifies the SERS signal (multi-layer enhancement). The advantage of these multi-layered structures is to amplify the SERS signal exploiting layer-to-layer interactions in the volume of the structures, rather than on its surface. This strategy permits an amplification of the signal without modifying the surface characteristics of a substrate, and therefore conserving its reproducibility. Multi-layered structures can therefore be used to amplify the sensitivity and throughput of potentially any previously developed SERS sensor. In this thesis, these multi-layered structures were optimized and applied to different SERS substrates. The role of the dielectric spacer layer in the multi-layer enhancement was elucidated by fabricating spacers with different characteristics and studying their effect on the overall enhancement. Thickness, surface coverage and physical properties of the spacer were studied. Additionally, the multi-layered structures were applied to commercial SERS substrates and to isolated SERS probes. Studies on the dependence of the multi-layer enhancement on the thickness of the spacer demonstrated that the enhancement increases as a function of surface coverage at sub-monolayer thicknesses, due to the increasing multi-layer nature of the substrates. For fully coalescent spacers the enhancement decreases as a function of thickness, due to the loss of interaction between proximal metallic films. The influence of the physical properties of the spacer on the multi-layer enhancement were also studied. The trends in Schottky barrier height, interfacial potential and dielectric constant were isolated by using different materials as spacers (i.e., TiO2, HfO2, Ag 2O and Al2O3). The results show that the bulk dielectric constant of the material can be used to predict the relative magnitude of the multi-layer enhancement, with low dielectric constant materials performing more efficiently as spacers. Optimal spacer layers were found to be ultrathin coalescent films (ideally a monolayer) of low dielectric constant materials. Finally, multi-layered structures were observed to be employable to amplify SERS in drastically different substrate geometries. The multi-layered structures were applied to disposable commercial SERS substrates (i.e., Klarite). This project involved the regeneration of the used substrates, by stripping and redepositing the gold coating layer, and their amplification, by using the multi-layer geometry. The latter was observed to amplify the sensitivity of the substrates. Additionally, the multi-layered structures were applied to probes dispersed in solution. Such probes were observed to yield stronger SERS signal when optically trapped and to reduce the background signal. The application of the multi-layered structures on trapped probes, not only further amplified the SERS signal, but also increased the maximum number of applicable layers for the structures.

Stacked thin layers of metaphase chromatin explain the geometry of chromosome rearrangements and banding.

PubMed

Daban, Joan-Ramon

2015-10-08

The three-dimensional organization of tightly condensed chromatin within metaphase chromosomes has been one of the most challenging problems in structural biology since the discovery of the nucleosome. This study shows that chromosome images obtained from typical banded karyotypes and from different multicolour cytogenetic analyses can be used to gain information about the internal structure of chromosomes. Chromatin bands and the connection surfaces in sister chromatid exchanges and in cancer translocations are planar and orthogonal to the chromosome axis. Chromosome stretching produces band splitting and even the thinnest bands are orthogonal and well defined, indicating that short stretches of DNA can occupy completely the chromosome cross-section. These observations impose strong physical constraints on models that attempt to explain chromatin folding in chromosomes. The thin-plate model, which consists of many stacked layers of planar chromatin perpendicular to the chromosome axis, is compatible with the observed orientation of bands, with the existence of thin bands, and with band splitting; it is also compatible with the orthogonal orientation and planar geometry of the connection surfaces in chromosome rearrangements. The results obtained provide a consistent interpretation of the chromosome structural properties that are used in clinical cytogenetics for the diagnosis of hereditary diseases and cancers.

The role of the van der Waals interactions in the adsorption of anthracene and pentacene on the Ag(111) surface

NASA Astrophysics Data System (ADS)

Morbec, Juliana M.; Kratzer, Peter

2017-01-01

Using first-principles calculations based on density-functional theory (DFT), we investigated the effects of the van der Waals (vdW) interactions on the structural and electronic properties of anthracene and pentacene adsorbed on the Ag(111) surface. We found that the inclusion of vdW corrections strongly affects the binding of both anthracene/Ag(111) and pentacene/Ag(111), yielding adsorption heights and energies more consistent with the experimental results than standard DFT calculations with generalized gradient approximation (GGA). For anthracene/Ag(111) the effect of the vdW interactions is even more dramatic: we found that "pure" DFT-GGA calculations (without including vdW corrections) result in preference for a tilted configuration, in contrast to the experimental observations of flat-lying adsorption; including vdW corrections, on the other hand, alters the binding geometry of anthracene/Ag(111), favoring the flat configuration. The electronic structure obtained using a self-consistent vdW scheme was found to be nearly indistinguishable from the conventional DFT electronic structure once the correct vdW geometry is employed for these physisorbed systems. Moreover, we show that a vdW correction scheme based on a hybrid functional DFT calculation (HSE) results in an improved description of the highest occupied molecular level of the adsorbed molecules.

Gaussian curvature analysis allows for automatic block placement in multi-block hexahedral meshing.

PubMed

Ramme, Austin J; Shivanna, Kiran H; Magnotta, Vincent A; Grosland, Nicole M

2011-10-01

Musculoskeletal finite element analysis (FEA) has been essential to research in orthopaedic biomechanics. The generation of a volumetric mesh is often the most challenging step in a FEA. Hexahedral meshing tools that are based on a multi-block approach rely on the manual placement of building blocks for their mesh generation scheme. We hypothesise that Gaussian curvature analysis could be used to automatically develop a building block structure for multi-block hexahedral mesh generation. The Automated Building Block Algorithm incorporates principles from differential geometry, combinatorics, statistical analysis and computer science to automatically generate a building block structure to represent a given surface without prior information. We have applied this algorithm to 29 bones of varying geometries and successfully generated a usable mesh in all cases. This work represents a significant advancement in automating the definition of building blocks.

From Cylindrical to Stretching Ridges and Wrinkles in Twisted Ribbons

NASA Astrophysics Data System (ADS)

Pham Dinh, Huy; Démery, Vincent; Davidovitch, Benny; Brau, Fabian; Damman, Pascal

2016-09-01

Twisted ribbons under tension exhibit a remarkably rich morphology, from smooth and wrinkled helicoids, to cylindrical or faceted patterns. This complexity emanates from the instability of the natural, helicoidal symmetry of the system, which generates both longitudinal and transverse stresses, thereby leading to buckling of the ribbon. Here, we focus on the tessellation patterns made of triangular facets. Our experimental observations are described within an "asymptotic isometry" approach that brings together geometry and elasticity. The geometry consists of parametrized families of surfaces, isometric to the undeformed ribbon in the singular limit of vanishing thickness and tensile load. The energy, whose minimization selects the favored structure among those families, is governed by the tensile work and bending cost of the pattern. This framework describes the coexistence lines in a morphological phase diagram, and determines the domain of existence of faceted structures.

Theory of topological insulator waveguides: polarization control and the enhancement of the magneto-electric effect

NASA Astrophysics Data System (ADS)

Crosse, J. A.

2017-02-01

Topological insulators subject to a time-reversal-symmetry-breaking perturbation are predicted to display a magneto-electric effect that causes the electric and magnetic induction fields to mix at the material’s surface. This effect induces polarization rotations of between ≈1-10 mrad per interface in an incident plane-polarized electromagnetic wave normal to a multilayered structure. Here we show, theoretically and numerically, that by using a waveguide geometry with a topological insulator guide layer and magneto-dielectric cladding it is possible to achieve rotations of ≈100 mrad and generate an elliptical polarization with only a three-layered structure. This geometry is beneficial, not only as a way to enhance the magneto-electric effect, rendering it easier to observe, but also as a method for controlling the polarization of electromagnetic radiation.

Structural and aerodynamic loads and performance measurements of an SA349/2 helicopter with an advanced geometry rotor

NASA Technical Reports Server (NTRS)

Heffernan, Ruth M.; Gaubert, Michel

1986-01-01

A flight test program was conducted to obtain data from an upgraded Gazelle helicopter with an advanced geometry, three bladed rotor. Data were acquired on upper and lower surface chordwise blade pressure, blade bending and torsion moments, and fuselage structural loads. Results are presented from 16 individual flight conditions, including level flights ranging from 10 to 77 m/sec at 50 to 3000 m altitude, turning flights up to 2.0 g, and autorotation. Rotor aerodynamic data include information from 51 pressure transducers distributed chordwise at 75, 88, and 97% radial stations. Individual tranducer pressure coefficients and airfoil section lift and pitching moment coefficients are presented, as are steady state flight condition parameters and time dependence rotor loads. All dynamic data are presented as harmonic analysis coefficients.

Applications of Computer Graphics in Engineering

NASA Technical Reports Server (NTRS)

1975-01-01

Various applications of interactive computer graphics to the following areas of science and engineering were described: design and analysis of structures, configuration geometry, animation, flutter analysis, design and manufacturing, aircraft design and integration, wind tunnel data analysis, architecture and construction, flight simulation, hydrodynamics, curve and surface fitting, gas turbine engine design, analysis, and manufacturing, packaging of printed circuit boards, spacecraft design.

Gaussian process regression for geometry optimization

NASA Astrophysics Data System (ADS)

Denzel, Alexander; Kästner, Johannes

2018-03-01

We implemented a geometry optimizer based on Gaussian process regression (GPR) to find minimum structures on potential energy surfaces. We tested both a two times differentiable form of the Matérn kernel and the squared exponential kernel. The Matérn kernel performs much better. We give a detailed description of the optimization procedures. These include overshooting the step resulting from GPR in order to obtain a higher degree of interpolation vs. extrapolation. In a benchmark against the Limited-memory Broyden-Fletcher-Goldfarb-Shanno optimizer of the DL-FIND library on 26 test systems, we found the new optimizer to generally reduce the number of required optimization steps.

Structuring of Functional Spider Silk Wires, Coatings, and Sheets by Self-Assembly on Superhydrophobic Pillar Surfaces.

PubMed

Gustafsson, Linnea; Jansson, Ronnie; Hedhammar, My; van der Wijngaart, Wouter

2018-01-01

Spider silk has recently become a material of high interest for a large number of biomedical applications. Previous work on structuring of silk has resulted in particles (0D), fibers (1D), films (2D), and foams, gels, capsules, or microspheres (3D). However, the manufacturing process of these structures is complex and involves posttreatment of chemicals unsuitable for biological applications. In this work, the self-assembly of recombinant spider silk on micropatterned superhydrophobic surfaces is studied. For the first time, structuring of recombinant spider silk is achieved using superhydrophobic surfaces under conditions that retain the bioactivity of the functionalized silk. By tuning the superhydrophobic surface geometry and the silk solution handling parameters, this approach allows controlled generation of silk coatings, nanowires, and sheets. The underlying mechanisms and governing parameters are discussed. It is believed that the results of this work pave the way for fabrication of silk formations for applications including vehicles for drug delivery, optical sensing, antimicrobial coatings, and cell culture scaffolds. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A microscale three-dimensional urban energy balance model for studying surface temperatures

NASA Astrophysics Data System (ADS)

Krayenhoff, E. Scott; Voogt, James A.

2007-06-01

A microscale three-dimensional (3-D) urban energy balance model, Temperatures of Urban Facets in 3-D (TUF-3D), is developed to predict urban surface temperatures for a variety of surface geometries and properties, weather conditions, and solar angles. The surface is composed of plane-parallel facets: roofs, walls, and streets, which are further sub-divided into identical square patches, resulting in a 3-D raster-type model geometry. The model code is structured into radiation, conduction and convection sub-models. The radiation sub-model uses the radiosity approach and accounts for multiple reflections and shading of direct solar radiation. Conduction is solved by finite differencing of the heat conduction equation, and convection is modelled by empirically relating patch heat transfer coefficients to the momentum forcing and the building morphology. The radiation and conduction sub-models are tested individually against measurements, and the complete model is tested against full-scale urban surface temperature and energy balance observations. Modelled surface temperatures perform well at both the facet-average and the sub-facet scales given the precision of the observations and the uncertainties in the model inputs. The model has several potential applications, such as the calculation of radiative loads, and the investigation of effective thermal anisotropy (when combined with a sensor-view model).

Investigation of the capillary flow through open surface microfluidic structures

NASA Astrophysics Data System (ADS)

Taher, Ahmed; Jones, Benjamin; Fiorini, Paolo; Lagae, Liesbet

2017-02-01

The passive nature of capillary microfluidics for pumping and actuation of fluids is attractive for many applications including point of care medical diagnostics. For such applications, there is often the need to spot dried chemical reagents in the bottom of microfluidic channels after device fabrication; it is often more practical to have open surface devices (i.e., without a cover or lid). However, the dynamics of capillary driven flow in open surface devices have not been well studied for many geometries of interest. In this paper, we investigate capillary flow in an open surface microchannel with a backward facing step. An analytical model is developed to calculate the capillary pressure as the liquid-vapor interface traverses a backward facing step in an open microchannel. The developed model is validated against results from Surface Evolver liquid-vapor surface simulations and ANSYS Fluent two-phase flow simulations using the volume of fluid approach. Three different aspect ratios (inlet channel height by channel width) were studied. The analytical model shows good agreement with the simulation results from both modeling methods for all geometries. The analytical model is used to derive an expression for the critical aspect ratio (the minimum channel aspect ratio for flow to proceed across the backward facing step) as a function of contact angle.

PAF: A software tool to estimate free-geometry extended bodies of anomalous pressure from surface deformation data

NASA Astrophysics Data System (ADS)

Camacho, A. G.; Fernández, J.; Cannavò, F.

2018-02-01

We present a software package to carry out inversions of surface deformation data (any combination of InSAR, GPS, and terrestrial data, e.g., EDM, levelling) as produced by 3D free-geometry extended bodies with anomalous pressure changes. The anomalous structures are described as an aggregation of elementary cells (whose effects are estimated as coming from point sources) in an elastic half space. The linear inverse problem (considering some simple regularization conditions) is solved by means of an exploratory approach. This software represents the open implementation of a previously published methodology (Camacho et al., 2011). It can be freely used with large data sets (e.g. InSAR data sets) or with data coming from small control networks (e.g. GPS monitoring data), mainly in volcanic areas, to estimate the expected pressure bodies representing magmatic intrusions. Here, the software is applied to some real test cases.

3D Numerical simulation of bed morphological responses to complex in-streamstructures

NASA Astrophysics Data System (ADS)

Xu, Y.; Liu, X.

2017-12-01

In-stream structures are widely used in stream restoration for both hydraulic and ecologicalpurposes. The geometries of the structures are usually designed to be extremely complex andirregular, so as to provide nature-like physical habitat. The aim of this study is to develop anumerical model to accurately predict the bed-load transport and the morphological changescaused by the complex in-stream structures. This model is developed in the platform ofOpenFOAM. In the hydrodynamics part, it utilizes different turbulence models to capture thedetailed turbulence information near the in-stream structures. The technique of immersedboundary method (IBM) is efficiently implemented in the model to describe the movable bendand the rigid solid body of in-stream structures. With IBM, the difficulty of mesh generation onthe complex geometry is greatly alleviated, and the bed surface deformation is able to becoupled in to flow system. This morphodynamics model is firstly validated by simple structures,such as the morphology of the scour in log-vane structure. Then it is applied in a more complexstructure, engineered log jams (ELJ), which consists of multiple logs piled together. Thenumerical results including turbulence flow information and bed morphological responses areevaluated against the experimental measurement within the exact same flow condition.

Veronese geometry and the electroweak vacuum moduli space

NASA Astrophysics Data System (ADS)

He, Yang-Hui; Jejjala, Vishnu; Matti, Cyril; Nelson, Brent D.

2014-09-01

We explain the origin of the Veronese surface in the vacuum moduli space geometry of the MSSM electroweak sector. While this result appeared many years ago using techniques of computational algebraic geometry, it has never been demonstrated analytically. Here, we present an analytical derivation of the vacuum geometry of the electroweak theory by understanding how the F- and D-term relations lead to the Veronese surface. We moreover give a detailed description of this geometry, realising an extra branch as a zero-dimensional point when quadratic Higgs lifting deformations are incorporated into the superpotential.

The Theory and Practice of Bayesian Image Labeling

DTIC Science & Technology

1988-08-01

simple. The intensity images are the results of many confounding factors - lighting, surface geometry , surface reflectance, and camera characteristics...related through the geometry of the surfaces in view. They are conditionally independent in the following sense: P (g,O Ifp) = P (g Ifl) P(O If,). (6.6a...different spatial resolution and projection geometry , or using DOG-type filters of various scales. We believe that the success of visual integration at

Improving catalytic selectivity through control of adsorption orientation

NASA Astrophysics Data System (ADS)

Pang, Simon H.

In this thesis, we present an investigation, starting from surface science experiments, leading to design of supported catalysts, of how adsorption orientation can be used to affect reaction selectivity of highly functional molecules. The surface chemistry of furfuryl alcohol and benzyl alcohol and their respective aldehydes was studied on a Pd(111) single-crystal surface under ultra-high vacuum conditions. Temperature-programmed desorption experiments showed that synergistic chemistry existed between the aromatic ring and the oxygen-containing functional group, each allowing the other to participate in reaction pathways that a monofunctional molecule could not. Most important of these was a deoxygenation reaction that occurred more readily when the surface was crowded by the highest exposures. High-resolution electron energy loss spectroscopy revealed that at these high exposures, molecules were oriented upright on the surface, with the aromatic function extending into vacuum. In contrast, at low exposures, molecules were oriented flat on the surface. The upright adsorption geometry was correlated with deoxygenation, whereas the flat-lying geometry was correlated with decarbonylation. The insight gained from surface science experiments was utilized in catalyst design. Self-assembled monolayers of alkanethiolates were used to systematically reduce the average surface ensemble size, and the reaction selectivity was tracked. When a sparsely-packed monolayer was used, such as one formed by 1-adamantanethiol, the reactant furfural was still able to lie flat on the surface and the reaction selectivity was similar to that of the uncoated catalyst. However, when a densely-packed monolayer, formed by 1-octadecanethiol, was used, furfural was not able to adsorb flat on the surface and instead adopted an upright conformation, leading to a drastic increase in aldehyde hydrogenation and hydrodeoxygenation reaction selectivity. Using an even higher sulfur coverage from a monolayer formed by 1,2-benzenedithiol, we determined that hydrodeoxygenation selectively occurred on catalyst particle steps and edges from an upright structure, whereas decarbonylation occurred on particle terraces from a flat-lying structure. Control of furfural adsorption orientation was also achieved through the use of NiCu bimetallic catalysts. The aromatic furan ring was repelled from surface Cu, leading to an upright structure. However, under hydrogenation conditions, Ni tended to be near the surface of thin films and catalysts, leading to less dramatic selectivity enhancement. The presence of a 1-octadecanethiol monolayer kinetically stabilized the surface termination, allowing Cu to remain at the surface.

Alongstrike geometry variations of the Carpathian thrust front east of Tarnów (SE Poland) as intersection phenomenon related to thrust-floor palaeotopography

NASA Astrophysics Data System (ADS)

Gluszynski, Andrzej; Aleksandrowski, Pawel

2017-04-01

Structural geometry of the Miocene (Badenian-Sarmatian) Carpathian orogenic front between Tarnów and Pilzno was investigated, using borehole and 2D and 3D seismic data. In line with some earlier studies by other authors, but in much more comprehensive way, our study reveals details of the alongstrike changing structural geometry of the Carpathian orogenic front and offers a model of its tectonic evolution. At places the frontal thrust of the Carpathians is blind and accompanied by well developed wedge tectonics phenomena. Elsewhere it is emergent at the surface and shows an apparently simple structure. The base of the fold-thrust zone rests on a substratum with highly variable palaeotopography, which includes a major palaeovalley incised in the Mesozoic basement to a depth exceeding 1 km. The palaeovalley floor was covered with salt-bearing evaporites at the time when the thrusting took place. The wedge tectonics phenomena include backthrusts and a prominent crocodile structure. The tectonic wedge is formed by stacked thrust-slices of the Cretaceous-to-Oligocene flysch of the Skole nappe. This wedge has forced a basal Miocene evaporitic layer (including salt) to split into two horizons (1) the lower one, which acted as a tectonic lubricant along the floor thrust of the forward-moving flysch wedge, and (2) the upper one, along which the Miocene sediments of the Carpathian foredeep were underthrusted by the flysch wedge. This resulting crocodile structure has the flysch wedge in its core, a passive roof of Miocene sediments at the top and tilted Miocene strata at its front, defining a frontal homocline. A minor triangle zone, cored with deformed evaporites, has formed due to backthrust branching at the rear of the frontal monocline. At other places, the Carpathian flysch and its basal thrust, emerge at the surface. The flysch must have once also formed a wedge there, but was mostly removed by erosion following its elevation above the present-day topographic surface on the frontal thrust. The Skole flysch units overlie a relatively thin zone of deformed Miocene evaporitic series that covers autochthonous clastic Miocene sediments of the inner parts of the Carpathian foredeep. The sediments are southerly dipping at a shallow angle below the Outer Carpathian nappe structure. Our study indicates that the lateral variations in the structural geometry at the thrust front of the Carpathian orogen are due to different levels of erosional truncation that were controlled mainly by a predeformational palaeotopography of the base of the Carpathian foredeep. At the same time, the wedge tectonics phenomena owe their formation to the limited lateral extent of the evaporitic layer and its facies changes. At erosionally lowered locations of the foredeep's base, represented by the deep palaeovalley of Pogórska Wola, the Carpathian thrust front is a fully preserved, subsurface structure, concealed below the Miocene molasse of the foredeep. In areas where the pre-thrusting erosion was not so efficient (outside the palaeovalley), the Carpathian orogenic front is emergent at the surface. We infer that the originally existent flysch tectonic wedge, splitting the evaporites at its front, was thrusted to upper levels and then eroded at such locations.

On the Use of CAD-Native Predicates and Geometry in Surface Meshing

NASA Technical Reports Server (NTRS)

Aftosmis, M. J.

1999-01-01

Several paradigms for accessing computer-aided design (CAD) geometry during surface meshing for computational fluid dynamics are discussed. File translation, inconsistent geometry engines, and nonnative point construction are all identified as sources of nonrobustness. The paper argues in favor of accessing CAD parts and assemblies in their native format, without translation, and for the use of CAD-native predicates and constructors in surface mesh generation. The discussion also emphasizes the importance of examining the computational requirements for exact evaluation of triangulation predicates during surface meshing.

Radical-Driven Silicon Surface Passivation for Organic-Inorganic Hybrid Photovoltaics

NASA Astrophysics Data System (ADS)

Chandra, Nitish

The advent of metamaterials has increased the complexity of possible light-matter interactions, creating gaps in knowledge and violating various commonly used approximations and rendering some common mathematical frameworks incomplete. Our forward scattering experiments on metallic shells and cavities have created a need for a rigorous geometry-based analysis of scattering problems and more rigorous current distribution descriptions in the volume of the scattering object. In order to build an accurate understanding of these interactions, we have revisited the fundamentals of Maxwell's equations, electromagnetic potentials and boundary conditions to build a bottom-up geometry-based analysis of scattering. Individual structures or meta-atoms can be designed to localize the incident electromagnetic radiation in order to create a change in local constitutive parameters and possible nonlinear responses. Hence, in next generation engineered materials, an accurate determination of current distribution on the surface and in the structure's volume play an important role in describing and designing desired properties. Multipole expansions of the exact current distribution determined using principles of differential geometry provides an elegant way to study these local interactions of meta-atoms. The dynamics of the interactions can be studied using the behavior of the polarization and magnetization densities generated by localized current densities interacting with the electromagnetic potentials associated with the incident waves. The multipole method combined with propagation of electromagnetic potentials can be used to predict a large variety of linear and nonlinear physical phenomena. This has been demonstrated in experiments that enable the analog detection of sources placed at subwavelength separation by using time reversal of observed signals. Time reversal is accomplished by reversing the direction of the magnetic dipole in bianisotropic metasurfaces while simultaneously providing a method to reduce the losses often observed when light interacts with meta-structures.

Reexamination of the subsurface fault structure in the vicinity of the 1989 moment-magnitude-6.9 Loma Prieta earthquake, central California, using steep-reflection, earthquake, and magnetic data

USGS Publications Warehouse

Zhang, Edward; Fuis, Gary S.; Catchings, Rufus D.; Scheirer, Daniel S.; Goldman, Mark; Bauer, Klaus

2018-06-13

We reexamine the geometry of the causative fault structure of the 1989 moment-magnitude-6.9 Loma Prieta earthquake in central California, using seismic-reflection, earthquake-hypocenter, and magnetic data. Our study is prompted by recent interpretations of a two-part dip of the San Andreas Fault (SAF) accompanied by a flower-like structure in the Coachella Valley, in southern California. Initially, the prevailing interpretation of fault geometry in the vicinity of the Loma Prieta earthquake was that the mainshock did not rupture the SAF, but rather a secondary fault within the SAF system, because network locations of aftershocks defined neither a vertical plane nor a fault plane that projected to the surface trace of the SAF. Subsequent waveform cross-correlation and double-difference relocations of Loma Prieta aftershocks appear to have clarified the fault geometry somewhat, with steeply dipping faults in the upper crust possibly connecting to the more moderately southwest-dipping mainshock rupture in the middle crust. Examination of steep-reflection data, extracted from a 1991 seismic-refraction profile through the Loma Prieta area, reveals three robust fault-like features that agree approximately in geometry with the clusters of upper-crustal relocated aftershocks. The subsurface geometry of the San Andreas, Sargent, and Berrocal Faults can be mapped using these features and the aftershock clusters. The San Andreas and Sargent Faults appear to dip northeastward in the uppermost crust and change dip continuously toward the southwest with depth. Previous models of gravity and magnetic data on profiles through the aftershock region also define a steeply dipping SAF, with an initial northeastward dip in the uppermost crust that changes with depth. At a depth 6 to 9 km, upper-crustal faults appear to project into the moderately southwest-dipping, planar mainshock rupture. The change to a planar dipping rupture at 6–9 km is similar to fault geometry seen in the Coachella Valley.

FI-STM study of hydrogen adsorption on Si(100) surface

NASA Astrophysics Data System (ADS)

Hua, Lu; Xiang-dong, Wang; Motai, K.; Hashizume, T.; Sakurai, T.

1992-11-01

Chemisorption of atomic hydrogen on the Si(100)2 × 1 surface has been investigated in detail by using a field ion-scanning tunneling microscope (FI-STM). The results showed that the adsorption geometry changed from the 2 × 1 monohydride phase to the 1 × 1 dihydride phase with increasing exposure of hydrogen. The data of desorption of the hydrogen-saturated Si surface showed that on annealing at 670 K the surface becomes highly disordered: the 1 × 1 dihydride structure is eliminated and the 2 × 1 reconstructed monohydride is also hardly to identify. When the temperature rises to as high as 730 K, the surface is dominated by the 2 × 1 structure with missing dimer rows, and some adatom chains occur on the Si substrate terraces. We attribute the formation of these atomic chains to an epitaxial growth of Si atoms which are formed by the dissociation of SiHx (x = 1, 2, 3 or 4) compounds on the Si surface.

Two-Dimensional Wetting Transition Modeling with the Potts Model

NASA Astrophysics Data System (ADS)

Lopes, Daisiane M.; Mombach, José C. M.

2017-12-01

A droplet of a liquid deposited on a surface structured in pillars may have two states of wetting: (1) Cassie-Baxter (CB), the liquid remains on top of the pillars, also known as heterogeneous wetting, or (2) Wenzel, the liquid fills completely the cavities of the surface, also known as homogeneous wetting. Studies show that between these two states, there is an energy barrier that, when overcome, results in the transition of states. The transition can be achieved by changes in geometry parameters of the surface, by vibrations of the surface or by evaporation of the liquid. In this paper, we present a comparison of two-dimensional simulations of the Cassie-Wenzel transition on pillar-structured surfaces using the cellular Potts model (CPM) with studies performed by Shahraz et al. In our work, we determine a transition diagram by varying the surface parameters such as the interpillar distance ( G) and the pillar height ( H). Our results were compared to those obtained by Shahraz et al. obtaining good agreement.

Adsorption of pentacene on (100) vicinal surfaces: role of coordination, surface chemistry and vdWs effects

NASA Astrophysics Data System (ADS)

Matos, Jeronimo; Kara, Abdelkader

2015-03-01

In contrast to low miller index surfaces, vicinal surfaces are characterized by steps and step edges that not only present an interesting atomic landscape for the adsorption organic molecules, but also a unique electronic structure resulting in part from the low coordinated atoms at the step edges. The adsorption of pentacene on the stepped (511), (711), (911) surfaces (respectively 3, 4 and 5-atom wide terraces) of Cu and Ag (coinage transition metals); Pt (reactive transition metal); and Ni (reactive, magnetic transition metal) are studied using density functional theory, in order to investigate the support effects arising from differing surface chemistry. We compare the adsorption energy, adsorption geometry and electronic structure predicted by the PBE functional with those obtained from one of the optimized vdW-DF methods: optB88-vdW. Work supported by the U.S. Department of Energy Basic Energy Science under Contract No. DE-FG02-11ER16243.

Surface plasmon effects in the absorption enhancements of amorphous silicon solar cells with periodical metal nanowall and nanopillar structures.

PubMed

Lin, Hung-Yu; Kuo, Yang; Liao, Cheng-Yuan; Yang, C C; Kiang, Yean-Woei

2012-01-02

The authors numerically investigate the absorption enhancement of an amorphous Si solar cell, in which a periodical one-dimensional nanowall or two-dimensional nanopillar structure of the Ag back-reflector is fabricated such that a dome-shaped grating geometry is formed after Si deposition and indium-tin-oxide coating. In this investigation, the effects of surface plasmon (SP) interaction in such a metal nanostructure are of major concern. Absorption enhancement in most of the solar spectral range of significant amorphous Si absorption (320-800 nm) is observed in a grating solar cell. In the short-wavelength range of high amorphous Si absorption, the weakly wavelength-dependent absorption enhancement is mainly caused by the broadband anti-reflection effect, which is produced through the surface nano-grating structures. In the long-wavelength range of diminishing amorphous Si absorption, the highly wavelength-sensitive absorption enhancement is mainly caused by Fabry-Perot resonance and SP interaction. The SP interaction includes the contributions of surface plasmon polariton and localized surface plasmon.

Hinge Moments of Sealed-Internal-Balance Arrangements for Control Surfaces I : Theoretical Investigation

NASA Technical Reports Server (NTRS)

Murray, Harry E.; Erwin, Mary A.

1945-01-01

The results of a theoretical analysis of the hinge-moment characteristics of various sealed-internal-balance arrangements for control surfaces are presented. The analysis considered overhands sealed to various types of wing structure by flexible seals spanning gaps of various widths or sealed to the wing structure by a flexible system of linked plates. Leakage was not considered; the seal was assumed to extend the full spanwise length of the control surface. The effect of the developed width of the flexible seal and of the geometry of the structure to which the seal was anchored was investigated, as well as the effect of the gap width that is sealed. The results of the investigation indicated that the most nearly linear control-surface hinge-moment characteristics can probably be obtained from a flexible seal over a narrow gap (about 0.1 of the overhang chord), which is so installed that the motion of the seal is restricted to a region behind the point of attachment of the seal to the wing structure. Control-surface hinge moments that tend to be high at large deflections and low or overbalanced at small deflections will result if a very narrow seal is used.

Numerical simulation of rough-surface aerodynamics

NASA Astrophysics Data System (ADS)

Chi, Xingkai

Computational fluid dynamics (CFD) simulations of flow over surfaces with roughness in which the details of the surface geometry must be resolved pose major challenges. The objective of this study is to address these challenges through two important engineering problems, where roughness play a critical role---flow over airfoils with accrued ice and flow and heat transfer over turbine blade surfaces roughened by erosion and/or deposition. CFD simulations of iced airfoils face two major challenges. The first is how to generate high-quality single- and multi-block structured grids for highly convoluted convex and concave surface geometries with multiple scales. In this study, two methods were developed for the generation of high-quality grids for such geometries. The method developed for single-block grids involves generating a grid about the clean airfoil, carving out a portion of that grid about the airfoil, replacing that portion with a grid that accounts for the accrued ice geometry, and performing elliptic smoothing. The method developed for multi-block grids involves a transition-layer grid to ensure jaggedness in the ice geometry does not propagate into the domain. It also involves a "thick" wrap-around grid about the ice to ensure grid lines clustered next to solid surfaces do not propagate as streaks of tightly packed grid lines into the domain along block boundaries. For multi-block grids, this study also developed blocking topologies that ensure solutions to multi-block grids converge to steady state as quickly as single-block grids. The second major challenge in CFD simulations of iced airfoils is not knowing when it will predict reliably because of uncertainties in the turbulence modeling. In this study, the effects of turbulence models in predicting lift, drag, and moment coefficients were examined for airfoils with rime ice (i.e., ice with jaggedness only) and with glaze ice (i.e., ice with multiple protruding horns and surface jaggedness) as a function of angle of attack. In this examination, three different CFD codes---WIND, FLUENT, and PowerFLOW were used to examine a variety of turbulence models, including Spalart-Allmaras, RNG k-epsilon, shear-stress transport, v2-f, and differential Reynolds stress with and without non-equilibrium wall functions. The accuracy of the CFD predictions was evaluated by comparing grid-independent solutions with measured experimental data. Results obtained show CFD with WIND and FLUENT to predict the aerodynamics of airfoils with rime ice reliably up to near stall for all turbulence models investigated. (Abstract shortened by UMI.)

The hazard map of ML6.6 0206 Meinong earthquake near Guanmiao and its Neotectonic implication

NASA Astrophysics Data System (ADS)

Chung, L. H.; Shyu, J. B. H.; Huang, M. H.; Yang, K. M.; Le Beon, M.; Lee, Y. H.; Chuang, R.; Yi, D.

2016-12-01

The serious damage was occurred in SW Taiwan by ML 6.6 0206 Meinong earthquake. Based on InSAR result, 10 cm oval-raised surface deformation is 15 km away from its epicenter, and two obviously N-S trend sharp phase change nearby Guanmiao area. Our field investigation shows bulling damage and surface fracture are high related with the two sharp phase change. Here, we perform the detailed shallow underground geometry by using reflection seismic data, geologic data, and field hazard investigation. This N-S trend surface deformation may be induced by local shallow folding, while the huge uplift west of Guanmiao may be related with pure shear deformation of thick clayey Gutingkeng (GTK) Formation. Our results imply that not only a moderate lower crustal earthquake can trigger active structure at shallower depth, but also those minor shallow active structures are occurred serious damage and surface deformation.

Surface complexation and precipitate geometry for aqueous Zn(II) sorption on ferrihydrite I: X-ray absorption extended fine structure spectroscopy analysis

USGS Publications Warehouse

Waychunas, G.A.; Fuller, C.C.; Davis, J.A.

2002-01-01

"Two-line" ferrihydrite samples precipitated and then exposed to a range of aqueous Zn solutions (10-5 to 10-3 M), and also coprecipitated in similar Zn solutions (pH 6.5), have been examined by Zn and Fe K-edge X-ray absorption spectroscopy. Typical Zn complexes on the surface have Zn-O distances of 1.97(0.2) A?? and coordination numbers of about 4.0(0.5), consistent with tetrahedral oxygen coordination. This contrasts with Zn-O distances of 2.11(.02) A?? and coordination numbers of 6 to 7 in the aqueous Zn solutions used in sample preparation. X-ray absorption extended fine structure spectroscopy (EXAFS) fits to the second shell of cation neighbors indicate as many as 4 Zn-Fe neighbors at 3.44(.04) A?? in coprecipitated samples, and about two Zn-Fe neighbors at the same distance in adsorption samples. In both sets of samples, the fitted coordination number of second shell cations decreases as sorption density increases, indicating changes in the number and type of available complexing sites or the onset of competitive precipitation processes. Comparison of our results with the possible geometries for surface complexes and precipitates suggests that the Zn sorption complexes are inner sphere and at lowest adsorption densities are bidentate, sharing apical oxygens with adjacent edge-sharing Fe(O,OH)6 octahedra. Coprecipitation samples have complexes with similar geometry, but these are polydentate, sharing apices with more than two adjacent edge-sharing Fe(O,OH)6 polyhedra. The results are inconsistent with Zn entering the ferrihydrite structure (i.e., solid solution formation) or formation of other Zn-Fe precipitates. The fitted Zn-Fe coordination numbers drop with increasing Zn density with a minimum of about 0.8(.2) at Zn/(Zn + Fe) of 0.08 or more. This change appears to be attributable to the onset of precipitation of zinc hydroxide polymers with mainly tetrahedral Zn coordination. At the highest loadings studied, the nature of the complexes changes further, and a second type of precipitate forms. This has a structure based on a brucite layer topology, with mainly octahedral Zn coordination. Amorphous zinc hydroxide samples prepared for comparison had a closely similar local structure. Analysis of the Fe K-edge EXAFS is consistent with surface complexation reactions and surface precipitation at high Zn loadings with little or no Fe-Zn solid solution formation. The formation of Zn-containing precipitates at solution conditions two or more orders of magnitude below their solubility limit is compared with other sorption and spectroscopic studies that describe similar behavior. Copyright ?? 2002 Elsevier Science Ltd.

Unveiling Stability Criteria of DNA-Carbon Nanotubes Constructs by Scanning Tunneling Microscopy and Computational Modeling

DOE PAGES

Kilina, Svetlana; Yarotski, Dzmitry A.; Talin, A. Alec; ...

2011-01-01

We present a combined approach that relies on computational simulations and scanning tunneling microscopy (STM) measurements to reveal morphological properties and stability criteria of carbon nanotube-DNA (CNT-DNA) constructs. Application of STM allows direct observation of very stable CNT-DNA hybrid structures with the well-defined DNA wrapping angle of 63.4 ° and a coiling period of 3.3 nm. Using force field simulations, we determine how the DNA-CNT binding energy depends on the sequence and binding geometry of a single strand DNA. This dependence allows us to quantitatively characterize the stability of a hybrid structure with an optimal π-stacking between DNA nucleotides and themore » tube surface and better interpret STM data. Our simulations clearly demonstrate the existence of a very stable DNA binding geometry for (6,5) CNT as evidenced by the presence of a well-defined minimum in the binding energy as a function of an angle between DNA strand and the nanotube chiral vector. This novel approach demonstrates the feasibility of CNT-DNA geometry studies with subnanometer resolution and paves the way towards complete characterization of the structural and electronic properties of drug-delivering systems based on DNA-CNT hybrids as a function of DNA sequence and a nanotube chirality.« less

Refining the Tonga Slab Geometry Using Slab Phases of Seismic Waves

NASA Astrophysics Data System (ADS)

Alongi, T.; Wei, S. S.; Blackman, D. K.

2017-12-01

Although the Tonga subducting slab geometry has been previously mapped by earthquake distribution, its detailed morphology is poorly constrained. The uncertainties of the slab surface relative to earthquakes can be translated into large errors in predicted temperature of hypocenters that is considered as a chief control of intermediate-depth seismicity. Seismic waves converted at the interface between the slab crust and the overlying mantle wedge can provide additional constraints on the location of the slab surface. A PS phase converted at the slab interface is observable in the horizontal components, whereas an SP converted phase can be seen in the vertical component. In this study, we analyze PS and SP phases in the seismic dataset of the 2009-2010 Ridge2000 Lau Spreading Center project, which consisted of 50 ocean bottom seismographs (OBSs) and 17 island-based seismic stations deployed in Fiji, Tonga, and the Lau Basin for about one year. More than 1,000 PS arrivals from local events were manually picked, predominantly with a 1-3 Hz filter. Next, the PS-P differential travel times will be inverted to determine improved depths of the slab surface relative to the local earthquakes and the receiving stations. The refined slab geometry will allow us to assess the thermal structure and dehydration reactions of the Tonga slab, lending further insight into the mechanisms of intermediate-depth seismicity.

Adhesion design maps for bio-inspired attachment systems.

PubMed

Spolenak, Ralph; Gorb, Stanislav; Arzt, Eduard

2005-01-01

Fibrous surface structures can improve the adhesion of objects to other surfaces. Animals, such as flies and geckos, take advantage of this principle by developing "hairy" contact structures which ensure controlled and repeatable adhesion and detachment. Mathematical models for fiber adhesion predict pronounced dependencies of contact performance on the geometry and the elastic properties of the fibers. In this paper the limits of such contacts imposed by fiber strength, fiber condensation, compliance, and ideal contact strength are modeled for spherical contact tips. Based on this, we introduce the concept of "adhesion design maps" which visualize the predicted mechanical behavior. The maps are useful for understanding biological systems and for guiding experimentation to achieve optimum artificial contacts.

Accounting for the effects of surface BRDF on satellite cloud and trace-gas retrievals: a new approach based on geometry-dependent Lambertian equivalent reflectivity applied to OMI algorithms

NASA Astrophysics Data System (ADS)

Vasilkov, Alexander; Qin, Wenhan; Krotkov, Nickolay; Lamsal, Lok; Spurr, Robert; Haffner, David; Joiner, Joanna; Yang, Eun-Su; Marchenko, Sergey

2017-01-01

Most satellite nadir ultraviolet and visible cloud, aerosol, and trace-gas algorithms make use of climatological surface reflectivity databases. For example, cloud and NO2 retrievals for the Ozone Monitoring Instrument (OMI) use monthly gridded surface reflectivity climatologies that do not depend upon the observation geometry. In reality, reflection of incoming direct and diffuse solar light from land or ocean surfaces is sensitive to the sun-sensor geometry. This dependence is described by the bidirectional reflectance distribution function (BRDF). To account for the BRDF, we propose to use a new concept of geometry-dependent Lambertian equivalent reflectivity (LER). Implementation within the existing OMI cloud and NO2 retrieval infrastructure requires changes only to the input surface reflectivity database. The geometry-dependent LER is calculated using a vector radiative transfer model with high spatial resolution BRDF information from the Moderate Resolution Imaging Spectroradiometer (MODIS) over land and the Cox-Munk slope distribution over ocean with a contribution from water-leaving radiance. We compare the geometry-dependent and climatological LERs for two wavelengths, 354 and 466 nm, that are used in OMI cloud algorithms to derive cloud fractions. A detailed comparison of the cloud fractions and pressures derived with climatological and geometry-dependent LERs is carried out. Geometry-dependent LER and corresponding retrieved cloud products are then used as inputs to our OMI NO2 algorithm. We find that replacing the climatological OMI-based LERs with geometry-dependent LERs can increase NO2 vertical columns by up to 50 % in highly polluted areas; the differences include both BRDF effects and biases between the MODIS and OMI-based surface reflectance data sets. Only minor changes to NO2 columns (within 5 %) are found over unpolluted and overcast areas.

Accounting for the Effects of Surface BRDF on Satellite Cloud and Trace-Gas Retrievals: A New Approach Based on Geometry-Dependent Lambertian-Equivalent Reflectivity Applied to OMI Algorithms

NASA Technical Reports Server (NTRS)

Vasilkov, Alexander; Qin, Wenhan; Krotkov, Nickolay; Lamsal, Lok; Spurr, Robert; Haffner, David; Joiner, Joanna; Yang, Eun-Su; Marchenko, Sergey

2017-01-01

Most satellite nadir ultraviolet and visible cloud, aerosol, and trace-gas algorithms make use of climatological surface reflectivity databases. For example, cloud and NO2 retrievals for the Ozone Monitoring Instrument (OMI) use monthly gridded surface reflectivity climatologies that do not depend upon the observation geometry. In reality, reflection of incoming direct and diffuse solar light from land or ocean surfaces is sensitive to the sun-sensor geometry. This dependence is described by the bidirectional reflectance distribution function (BRDF). To account for the BRDF, we propose to use a new concept of geometry-dependent Lambertian equivalent reflectivity (LER). Implementation within the existing OMI cloud and NO2 retrieval infrastructure requires changes only to the input surface reflectivity database. The geometry-dependent LER is calculated using a vector radiative transfer model with high spatial resolution BRDF information from the Moderate Resolution Imaging Spectroradiometer (MODIS) over land and the Cox-Munk slope distribution over ocean with a contribution from water-leaving radiance. We compare the geometry-dependent and climatological LERs for two wavelengths, 354 and 466 nm, that are used in OMI cloud algorithms to derive cloud fractions. A detailed comparison of the cloud fractions and pressures derived with climatological and geometry-dependent LERs is carried out. Geometry-dependent LER and corresponding retrieved cloud products are then used as inputs to our OMI NO2 algorithm. We find that replacing the climatological OMI-based LERs with geometry-dependent LERs can increase NO2 vertical columns by up to 50% in highly polluted areas; the differences include both BRDF effects and biases between the MODIS and OMI-based surface reflectance data sets. Only minor changes to NO2 columns (within 5 %) are found over unpolluted and overcast areas.

Metallic Properties of the Si(111) - 5 × 2 - Au Surface from Infrared Plasmon Polaritons and Ab Initio Theory.

PubMed

Hötzel, Fabian; Seino, Kaori; Huck, Christian; Skibbe, Olaf; Bechstedt, Friedhelm; Pucci, Annemarie

2015-06-10

The metal-atom chains on the Si(111) - 5 × 2 - Au surface represent an exceedingly interesting system for the understanding of one-dimensional electrical interconnects. While other metal-atom chain structures on silicon suffer from metal-to-insulator transitions, Si(111) - 5 × 2 - Au stays metallic at least down to 20 K as we have proven by the anisotropic absorption from localized plasmon polaritons in the infrared. A quantitative analysis of the infrared plasmonic signal done here for the first time yields valuable band structure information in agreement with the theoretically derived data. The experimental and theoretical results are consistently explained in the framework of the atomic geometry, electronic structure, and IR spectra of the recent Kwon-Kang model.

Measurement and reconstruction of the leaflet geometry for a pericardial artificial heart valve.

PubMed

Jiang, Hongjun; Campbell, Gord; Xi, Fengfeng

2005-03-01

This paper describes the measurement and reconstruction of the leaflet geometry for a pericardial heart valve. Tasks involved include mapping the leaflet geometries by laser digitizing and reconstructing the 3D freeform leaflet surface based on a laser scanned profile. The challenge is to design a prosthetic valve that maximizes the benefits offered to the recipient as compared to the normally operating naturally-occurring valve. This research was prompted by the fact that artificial heart valve bioprostheses do not provide long life durability comparable to the natural heart valve, together with the anticipated benefits associated with defining the valve geometries, especially the leaflet geometries for the bioprosthetic and human valves, in order to create a replicate valve fabricated from synthetic materials. Our method applies the concept of reverse engineering in order to reconstruct the freeform surface geometry. A Brown & Shape coordinate measuring machine (CMM) equipped with a HyMARC laser-digitizing system was used to measure the leaflet profiles of a Baxter Carpentier-Edwards pericardial heart valve. The computer software, Polyworks was used to pre-process the raw data obtained from the scanning, which included merging images, eliminating duplicate points, and adding interpolated points. Three methods, creating a mesh model from cloud points, creating a freeform surface from cloud points, and generating a freeform surface by B-splines are presented in this paper to reconstruct the freeform leaflet surface. The mesh model created using Polyworks can be used for rapid prototyping and visualization. To fit a freeform surface to cloud points is straightforward but the rendering of a smooth surface is usually unpredictable. A surface fitted by a group of B-splines fitted to cloud points was found to be much smoother. This method offers the possibility of manually adjusting the surface curvature, locally. However, the process is complex and requires additional manipulation. Finally, this paper presents a reverse engineered design for the pericardial heart valve which contains three identical leaflets with reconstructed geometry.

Advances in stellarator gyrokinetics

NASA Astrophysics Data System (ADS)

Helander, P.; Bird, T.; Jenko, F.; Kleiber, R.; Plunk, G. G.; Proll, J. H. E.; Riemann, J.; Xanthopoulos, P.

2015-05-01

Recent progress in the gyrokinetic theory of stellarator microinstabilities and turbulence simulations is summarized. The simulations have been carried out using two different gyrokinetic codes, the global particle-in-cell code EUTERPE and the continuum code GENE, which operates in the geometry of a flux tube or a flux surface but is local in the radial direction. Ion-temperature-gradient (ITG) and trapped-electron modes are studied and compared with their counterparts in axisymmetric tokamak geometry. Several interesting differences emerge. Because of the more complicated structure of the magnetic field, the fluctuations are much less evenly distributed over each flux surface in stellarators than in tokamaks. Instead of covering the entire outboard side of the torus, ITG turbulence is localized to narrow bands along the magnetic field in regions of unfavourable curvature, and the resulting transport depends on the normalized gyroradius ρ* even in radially local simulations. Trapped-electron modes can be significantly more stable than in typical tokamaks, because of the spatial separation of regions with trapped particles from those with bad magnetic curvature. Preliminary non-linear simulations in flux-tube geometry suggest differences in the turbulence levels in Wendelstein 7-X and a typical tokamak.

Geometry and surface damage in micro electrical discharge machining of micro-holes

NASA Astrophysics Data System (ADS)

Ekmekci, Bülent; Sayar, Atakan; Tecelli Öpöz, Tahsin; Erden, Abdulkadir

2009-10-01

Geometry and subsurface damage of blind micro-holes produced by micro electrical discharge machining (micro-EDM) is investigated experimentally to explore the relational dependence with respect to pulse energy. For this purpose, micro-holes are machined with various pulse energies on plastic mold steel samples using a tungsten carbide tool electrode and a hydrocarbon-based dielectric liquid. Variations in the micro-hole geometry, micro-hole depth and over-cut in micro-hole diameter are measured. Then, unconventional etching agents are applied on the cross sections to examine micro structural alterations within the substrate. It is observed that the heat-damaged segment is composed of three distinctive layers, which have relatively high thicknesses and vary noticeably with respect to the drilling depth. Crack formation is identified on some sections of the micro-holes even by utilizing low pulse energies during machining. It is concluded that the cracking mechanism is different from cracks encountered on the surfaces when machining is performed by using the conventional EDM process. Moreover, an electrically conductive bridge between work material and debris particles is possible at the end tip during machining which leads to electric discharges between the piled segments of debris particles and the tool electrode during discharging.

Multiscale modelling of hydraulic conductivity in vuggy porous media

PubMed Central

Daly, K. R.; Roose, T.

2014-01-01

Flow in both saturated and non-saturated vuggy porous media, i.e. soil, is inherently multiscale. The complex microporous structure of the soil aggregates and the wider vugs provides a multitude of flow pathways and has received significant attention from the X-ray computed tomography (CT) community with a constant drive to image at higher resolution. Using multiscale homogenization, we derive averaged equations to study the effects of the microscale structure on the macroscopic flow. The averaged model captures the underlying geometry through a series of cell problems and is verified through direct comparison to numerical simulations of the full structure. These methods offer significant reductions in computation time and allow us to perform three-dimensional calculations with complex geometries on a desktop PC. The results show that the surface roughness of the aggregate has a significantly greater effect on the flow than the microstructure within the aggregate. Hence, this is the region in which the resolution of X-ray CT for image-based modelling has the greatest impact. PMID:24511248

A topological hierarchy for functions on triangulated surfaces.

PubMed

Bremer, Peer-Timo; Edelsbrunner, Herbert; Hamann, Bernd; Pascucci, Valerio

2004-01-01

We combine topological and geometric methods to construct a multiresolution representation for a function over a two-dimensional domain. In a preprocessing stage, we create the Morse-Smale complex of the function and progressively simplify its topology by cancelling pairs of critical points. Based on a simple notion of dependency among these cancellations, we construct a hierarchical data structure supporting traversal and reconstruction operations similarly to traditional geometry-based representations. We use this data structure to extract topologically valid approximations that satisfy error bounds provided at runtime.

Time resolved analysis of water drainage in porous asphalt concrete using neutron radiography.

PubMed

Poulikakos, L D; Sedighi Gilani, M; Derome, D; Jerjen, I; Vontobel, P

2013-07-01

Porous asphalt as a road surface layer controls aquaplaning as rain water can drain through its highly porous structure. The process of water drainage through this permeable layer is studied using neutron radiography. Time-resolved water configuration and distribution within the porous structure are reported. It is shown that radiography depicts the process of liquid water transport within the complex geometry of porous asphalt, capturing water films, filled dead end pores and water islands. Copyright © 2013 Elsevier Ltd. All rights reserved.

Modeling and Analysis of Composite Wing Sections for Improved Aeroelastic and Vibration Characteristics Using Smart Materials

NASA Technical Reports Server (NTRS)

Chattopadhyay, Aditi

1996-01-01

The objective of this research is to develop analysis procedures to investigate the coupling of composite and smart materials to improve aeroelastic and vibratory response of aerospace structures. The structural modeling must account for arbitrarily thick geometries, embedded and surface bonded sensors and actuators and imperfections, such as delamination. Changes in the dynamic response due to the presence of smart materials and delaminations is investigated. Experiments are to be performed to validate the proposed mathematical model.

3D Reconstruction of geological structures based on remote sensing data: example from Anaran anticline, Lurestan province, Zagros folds and thrust belt, Iran.

NASA Astrophysics Data System (ADS)

Snidero, M.; Amilibia, A.; Gratacos, O.; Muñoz, J. A.

2009-04-01

This work presents a methodological workflow for the 3D reconstruction of geological surfaces at regional scale, based on remote sensing data and geological maps. This workflow has been tested on the reconstruction of the Anaran anticline, located in the Zagros Fold and Thrust belt mountain front. The used remote sensing data-set is a combination of Aster and Spot images as well as a high resolution digital elevation model. A consistent spatial positioning of the complete data-set in a 3D environment is necessary to obtain satisfactory results during the reconstruction. The Aster images have been processed by the Optimum Index Factor (OIF) technique, in order to facilitate the geological mapping. By pansharpening of the resulting Aster image with the SPOT panchromatic one we obtain the final high-resolution image used during the 3D mapping. Structural data (dip data) has been acquired through the analysis of the 3D mapped geological traces. Structural analysis of the resulting data-set allows us to divide the structure in different cylindrical domains. Related plunge lines orientation has been used to project data along the structure, covering areas with little or no information. Once a satisfactory dataset has been acquired, we reconstruct a selected horizon following the dip-domain concept. By manual editing, the obtained surfaces have been adjusted to the mapped geological limits as well as to the modeled faults. With the implementation of the Discrete Smooth Interpolation (DSI) algorithm, the final surfaces have been reconstructed along the anticline. Up to date the results demonstrate that the proposed methodology is a powerful tool for 3D reconstruction of geological surfaces when working with remote sensing data, in very inaccessible areas (eg. Iran, China, Africa). It is especially useful in semiarid regions where the structure strongly controls the topography. The reconstructed surfaces clearly show the geometry in the different sectors of the structure: presence of a back thrust affecting the back limb in the southern part of the anticline, the geometry of the grabens located along the anticline crest, the crosscutting relationship in the north-south faulted zone with the main thrust, the northern dome periclinal closure.

Density structure and geometry of the Costa Rican subduction zone from 3-D gravity modeling and local earthquake data

NASA Astrophysics Data System (ADS)

Lücke, O. H.; Arroyo, I. G.

2015-07-01

The eastern part of the oceanic Cocos Plate presents a heterogeneous crustal structure due to diverse origins and ages as well as plate-hot spot interactions which originated the Cocos Ridge, a structure that converges with the Caribbean Plate in southeastern Costa Rica. The complex structure of the oceanic plate directly influences the dynamics and geometry of the subduction zone along the Middle American Trench. In this paper an integrated interpretation of the slab geometry is presented based on three-dimensional density modeling of combined satellite and surface gravity data, constrained by available geophysical and geological data and seismological information obtained from local networks. The results show the continuation of steep subduction geometry from the Nicaraguan margin into Northwestern Costa Rica, followed by a moderate dipping slab under the Central Cordillera toward the end of the Central American Volcanic Arc. To the southeast end of the volcanic arc, our preferred model shows a steep, coherent slab that extends up to the landward projection of the Panama Fracture Zone. Overall, a gradual change in the depth of the intraplate seismicity is observed, reaching 220 km in the northwestern part, and becoming progressively shallower toward the southeast, where it reaches a terminal depth of 75 km. The changes in the terminal depth of the observed seismicity correlate with the increased density in the modeled slab. The absence of intermediate depth intraplate seismicity in the southeastern section and the higher densities for the subducted slab in this area, support a model in which dehydration reactions in the subducted slab cease at a shallower depth, originating an anhydrous and thus aseismic slab.

Density structure and geometry of the Costa Rican subduction zone from 3-D gravity modeling and local earthquake data

NASA Astrophysics Data System (ADS)

Lücke, O. H.; Arroyo, I. G.

2015-10-01

The eastern part of the oceanic Cocos Plate presents a heterogeneous crustal structure due to diverse origins and ages as well as plate-hot spot interactions which originated the Cocos Ridge, a structure that converges with the Caribbean Plate in southeastern Costa Rica. The complex structure of the oceanic plate directly influences the dynamics and geometry of the subduction zone along the Middle American Trench. In this paper an integrated interpretation of the slab geometry in Costa Rica is presented based on 3-D density modeling of combined satellite and surface gravity data, constrained by available geophysical and geological data and seismological information obtained from local networks. The results show the continuation of steep subduction geometry from the Nicaraguan margin into northwestern Costa Rica, followed by a moderate dipping slab under the Central Cordillera toward the end of the Central American Volcanic Arc. Contrary to commonly assumed, to the southeast end of the volcanic arc, our preferred model shows a steep, coherent slab that extends up to the landward projection of the Panama Fracture Zone. Overall, a gradual change in the depth of the intraplate seismicity is observed, reaching 220 km in the northwestern part, and becoming progressively shallower toward the southeast, where it reaches a maximum depth of 75 km. The changes in the terminal depth of the observed seismicity correlate with the increased density in the modeled slab. The absence of intermediate depth (> 75 km) intraplate seismicity in the southeastern section and the higher densities for the subducted slab in this area, support a model in which dehydration reactions in the subducted slab cease at a shallower depth, originating an anhydrous and thus aseismic slab.

Computational replication of the patient-specific stenting procedure for coronary artery bifurcations: From OCT and CT imaging to structural and hemodynamics analyses.

PubMed

Chiastra, Claudio; Wu, Wei; Dickerhoff, Benjamin; Aleiou, Ali; Dubini, Gabriele; Otake, Hiromasa; Migliavacca, Francesco; LaDisa, John F

2016-07-26

The optimal stenting technique for coronary artery bifurcations is still debated. With additional advances computational simulations can soon be used to compare stent designs or strategies based on verified structural and hemodynamics results in order to identify the optimal solution for each individual's anatomy. In this study, patient-specific simulations of stent deployment were performed for 2 cases to replicate the complete procedure conducted by interventional cardiologists. Subsequent computational fluid dynamics (CFD) analyses were conducted to quantify hemodynamic quantities linked to restenosis. Patient-specific pre-operative models of coronary bifurcations were reconstructed from CT angiography and optical coherence tomography (OCT). Plaque location and composition were estimated from OCT and assigned to models, and structural simulations were performed in Abaqus. Artery geometries after virtual stent expansion of Xience Prime or Nobori stents created in SolidWorks were compared to post-operative geometry from OCT and CT before being extracted and used for CFD simulations in SimVascular. Inflow boundary conditions based on body surface area, and downstream vascular resistances and capacitances were applied at branches to mimic physiology. Artery geometries obtained after virtual expansion were in good agreement with those reconstructed from patient images. Quantitative comparison of the distance between reconstructed and post-stent geometries revealed a maximum difference in area of 20.4%. Adverse indices of wall shear stress were more pronounced for thicker Nobori stents in both patients. These findings verify structural analyses of stent expansion, introduce a workflow to combine software packages for solid and fluid mechanics analysis, and underscore important stent design features from prior idealized studies. The proposed approach may ultimately be useful in determining an optimal choice of stent and position for each patient. Copyright © 2015 Elsevier Ltd. All rights reserved.

Sum Frequency Generation of Interfacial Lipid Monolayers Shows Polarization Dependence on Experimental Geometries.

PubMed

Li, Bolin; Li, Xu; Ma, Yong-Hao; Han, Xiaofeng; Wu, Fu-Gen; Guo, Zhirui; Chen, Zhan; Lu, Xiaolin

2016-07-19

Sum frequency generation (SFG) vibrational spectroscopy has been widely employed to investigate molecular structures of biological surfaces and interfaces including model cell membranes. A variety of lipid monolayers or bilayers serving as model cell membranes and their interactions with many different molecules have been extensively studied using SFG. Here, we conducted an in-depth investigation on polarization-dependent SFG signals collected from interfacial lipid monolayers using different experimental geometries, i.e., the prism geometry (total internal reflection) and the window geometry (external reflection). The different SFG spectral features of interfacial lipid monolayers detected using different experimental geometries are due to the interplay between the varied Fresnel coefficients and second-order nonlinear susceptibility tensor terms of different vibrational modes (i.e., ss and as modes of methyl groups), which were analyzed in detail in this study. Therefore, understanding the interplay between the interfacial Fresnel coefficients and χ((2)) tensors is a prerequisite for correctly understanding the SFG spectral features with respect to different experimental geometries. More importantly, the derived information in this paper should not be limited to the methyl groups with a C3v symmetry; valid extension to interfacial functional groups with different molecular symmetries and even chiral interfaces could be expected.

Computational mechanobiology to study the effect of surface geometry on peri-implant tissue differentiation.

PubMed

Andreykiv, A; van Keulen, F; Prendergast, P J

2008-10-01

The geometry of an implant surface to best promote osseointegration has been the subject of several experimental studies, with porous beads and woven mesh surfaces being among the options available. Furthermore, it is unlikely that one surface geometry is optimal for all loading conditions. In this paper, a computational method is used to simulate tissue differentiation and osseointegration on a smooth surface, a surface covered with sintered beads (this simulated the experiment (Simmons, C., and Pilliar, R., 2000, Biomechanical Study of Early Tissue Formation Around Bone-Interface Implants: The Effects of Implant Surface Geometry," Bone Engineering, J. E. Davies, ed., Emsquared, Chap. A, pp. 369-379) and established that the method gives realistic results) and a surface covered by porous tantalum. The computational method assumes differentiation of mesenchymal stem cells in response to fluid flow and shear strain and models cell migration and proliferation as continuum processes. The results of the simulation show a higher rate of bone ingrowth into the surfaces with porous coatings as compared with the smooth surface. It is also shown that a thicker interface does not increase the chance of fixation failure.

Kinematics, structural mechanics, and design of origami structures with smooth folds

NASA Astrophysics Data System (ADS)

Peraza Hernandez, Edwin Alexander

Origami provides novel approaches to the fabrication, assembly, and functionality of engineering structures in various fields such as aerospace, robotics, etc. With the increase in complexity of the geometry and materials for origami structures that provide engineering utility, computational models and design methods for such structures have become essential. Currently available models and design methods for origami structures are generally limited to the idealization of the folds as creases of zeroth-order geometric continuity. Such an idealization is not proper for origami structures having non-negligible thickness or maximum curvature at the folds restricted by material limitations. Thus, for general structures, creased folds of merely zeroth-order geometric continuity are not appropriate representations of structural response and a new approach is needed. The first contribution of this dissertation is a model for the kinematics of origami structures having realistic folds of non-zero surface area and exhibiting higher-order geometric continuity, here termed smooth folds. The geometry of the smooth folds and the constraints on their associated kinematic variables are presented. A numerical implementation of the model allowing for kinematic simulation of structures having arbitrary fold patterns is also described. Examples illustrating the capability of the model to capture realistic structural folding response are provided. Subsequently, a method for solving the origami design problem of determining the geometry of a single planar sheet and its pattern of smooth folds that morphs into a given three-dimensional goal shape, discretized as a polygonal mesh, is presented. The design parameterization of the planar sheet and the constraints that allow for a valid pattern of smooth folds and approximation of the goal shape in a known folded configuration are presented. Various testing examples considering goal shapes of diverse geometries are provided. Afterwards, a model for the structural mechanics of origami continuum bodies with smooth folds is presented. Such a model entails the integration of the presented kinematic model and existing plate theories in order to obtain a structural representation for folds having non-zero thickness and comprised of arbitrary materials. The model is validated against finite element analysis. The last contribution addresses the design and analysis of active material-based self-folding structures that morph via simultaneous folding towards a given three-dimensional goal shape starting from a planar configuration. Implementation examples including shape memory alloy (SMA)-based self-folding structures are provided.

Hydrogeological framework and geometry modeling via joint gravity and borehole parameters, the Nadhour-Sisseb-El Alem basin (central-eastern Tunisia)

NASA Astrophysics Data System (ADS)

Souei, Ali; Atawa, Mohamed; Zouaghi, Taher

2018-03-01

The Nadhour-Sisseb-El Alem basin, in the central-eastern part of Tunisia, is characterized by the scarcity of surface and subsurface water resources. Although the aquifer systems of this basin are not well understood, the scarce water resources are subject to a high rate of exploitation leading to a significant drop in the level of the water table. This work presents correlation of gravity data with hydrogeological data in order to improve the knowledge of the deep structures and aquifer systems. Various geophysical filtering techniques (e.g., residual anomaly, upward continuation, horizontal gradient, and Euler deconvolution) applied to the complete Bouguer anomaly, deduce the deep structures and geometry of the basin and highlight gravity lineaments that correspond to the tectonic features. The structural framework of the Nadhour-Sisseb-El Alem hydrogeological basin shows N-S to NNE-SSW and E-W oriented structures that should be related to tectonic deformations. In addition to the faults, previously recognized, new lineaments are highlighted by the present work. They correspond to NE-, NW-, E- and N- trending faults that have controlled structuring and geometry of the basin. 2D gravity forward modeling, based on the interpretation of geophysical, geological and hydrogeological data, led to a better understanding of the basin geometry and spatial distribution of the Campanian-Maastrichtian and Cenozoic potential aquifers. Three hydrogeological sub-basins identified include the Nadhour sub-basin in the north, the El Alem sub-Basin in the South and the Etrabelsia sub-Basin in the East. These sub-basins are marked by a thickening of deposits, are separated by the Sisseb-Fadeloun raised structure of Neogene and Quaternary thinned series. The results allow the determination of limit conditions for the basin hydrodynamic evolution and explain some anomalies on the quantity and quality of the groundwater. They provide a management guide for water resources prospection in Atlassic basins in North Africa.

Collagen density gradient on three-dimensional printed poly(ε-caprolactone) scaffolds for interface tissue engineering.

PubMed

D'Amora, Ugo; D'Este, Matteo; Eglin, David; Safari, Fatemeh; Sprecher, Christoph M; Gloria, Antonio; De Santis, Roberto; Alini, Mauro; Ambrosio, Luigi

2018-02-01

The ability to engineer scaffolds that resemble the transition between tissues would be beneficial to improve repair of complex organs, but has yet to be achieved. In order to mimic tissue organization, such constructs should present continuous gradients of geometry, stiffness and biochemical composition. Although the introduction of rapid prototyping or additive manufacturing techniques allows deposition of heterogeneous layers and shape control, the creation of surface chemical gradients has not been explored on three-dimensional (3D) scaffolds obtained through fused deposition modelling technique. Thus, the goal of this study was to introduce a gradient functionalization method in which a poly(ε-caprolactone) surface was first aminolysed and subsequently covered with collagen via carbodiimide reaction. The 2D constructs were characterized for their amine and collagen contents, wettability, surface topography and biofunctionality. Finally, chemical gradients were created in 3D printed scaffolds with controlled geometry and porosity. The combination of additive manufacturing and surface modification is a viable tool for the fabrication of 3D constructs with controlled structural and chemical gradients. These constructs can be employed for mimicking continuous tissue gradients for interface tissue engineering. Copyright © 2017 John Wiley & Sons, Ltd.

Enthalpic Breakdown of Water Structure on Protein Active-Site Surfaces

PubMed Central

Haider, Kamran; Wickstrom, Lauren; Ramsey, Steven; Gilson, Michael K.; Kurtzman, Tom

2016-01-01

The principles underlying water reorganization around simple non-polar solutes are well understood and provide the framework for classical hydrophobic effect, whereby water molecules structure themselves around solutes so that they maintain favorable energetic contacts with both the solute and with other water molecules. However, for certain solute surface topographies, water molecules, due to their geometry and size, are unable to simultaneously maintain favorable energetic contacts with both the surface and neighboring water molecules. In this study, we analyze the solvation of ligand-binding sites for six structurally diverse proteins using hydration site analysis and measures of local water structure, in order to identify surfaces at which water molecules are unable to structure themselves in a way that maintains favorable enthalpy relative to bulk water. These surfaces are characterized by a high degree of enclosure, weak solute-water interactions, and surface constraints that induce unfavorable pair interactions between neighboring water molecules. Additionally, we find that the solvation of charged side-chains in an active site generally results in favorable enthalpy but can also lead to pair interactions between neighboring water molecules that are significantly unfavorable relative to bulk water. We find that frustrated local structure can occur not only in apolar and weakly polar pockets, where overall enthalpy tends to be unfavorable, but also in charged pockets, where overall water enthalpy tends to be favorable. The characterization of local water structure in these terms may prove useful for evaluating the displacement of water from diverse protein active-site environments. PMID:27169482

Electronic structures and geometries of the XF{sub 3} (X = Cl, Br, I, At) fluorides

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

Sergentu, Dumitru-Claudiu; CEISAM, UMR CNRS 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3; Amaouch, Mohamed

The potential energy surfaces of the group 17 XF{sub 3} (X = Cl, Br, I, At) fluorides have been investigated for the first time with multiconfigurational wave function theory approaches. In agreement with experiment, bent T-shaped C{sub 2v} structures are computed for ClF{sub 3}, BrF{sub 3}, and IF{sub 3}, while we predict that an average D{sub 3h} structure would be experimentally observed for AtF{sub 3}. Electron correlation and scalar relativistic effects strongly reduce the energy difference between the D{sub 3h} geometry and the C{sub 2v} one, along the XF{sub 3} series, and in the X = At case, spin-orbit couplingmore » also slightly reduces this energy difference. AtF{sub 3} is a borderline system where the D{sub 3h} structure becomes a minimum, i.e., the pseudo-Jahn-Teller effect is inhibited since electron correlation and scalar-relativistic effects create small energy barriers leading to the global C{sub 2v} minima, although both types of effects interfere.« less

From Laser Scanning to Finite Element Analysis of Complex Buildings by Using a Semi-Automatic Procedure.

PubMed

Castellazzi, Giovanni; D'Altri, Antonio Maria; Bitelli, Gabriele; Selvaggi, Ilenia; Lambertini, Alessandro

2015-07-28

In this paper, a new semi-automatic procedure to transform three-dimensional point clouds of complex objects to three-dimensional finite element models is presented and validated. The procedure conceives of the point cloud as a stacking of point sections. The complexity of the clouds is arbitrary, since the procedure is designed for terrestrial laser scanner surveys applied to buildings with irregular geometry, such as historical buildings. The procedure aims at solving the problems connected to the generation of finite element models of these complex structures by constructing a fine discretized geometry with a reduced amount of time and ready to be used with structural analysis. If the starting clouds represent the inner and outer surfaces of the structure, the resulting finite element model will accurately capture the whole three-dimensional structure, producing a complex solid made by voxel elements. A comparison analysis with a CAD-based model is carried out on a historical building damaged by a seismic event. The results indicate that the proposed procedure is effective and obtains comparable models in a shorter time, with an increased level of automation.

NURBS-Based Geometry for Integrated Structural Analysis

NASA Technical Reports Server (NTRS)

Oliver, James H.

1997-01-01

This grant was initiated in April 1993 and completed in September 1996. The primary goal of the project was to exploit the emerging defacto CAD standard of Non- Uniform Rational B-spline (NURBS) based curve and surface geometry to integrate and streamline the process of turbomachinery structural analysis. We focused our efforts on critical geometric modeling challenges typically posed by the requirements of structural analysts. We developed a suite of software tools that facilitate pre- and post-processing of NURBS-based turbomachinery blade models for finite element structural analyses. We also developed tools to facilitate the modeling of blades in their manufactured (or cold) state based on nominal operating shape and conditions. All of the software developed in the course of this research is written in the C++ language using the Iris Inventor 3D graphical interface tool-kit from Silicon Graphics. In addition to enhanced modularity, improved maintainability, and efficient prototype development, this design facilitates the re-use of code developed for other NASA projects and provides a uniform and professional 'look and feel' for all applications developed by the Iowa State Team.

Bio-inspired structural bistability employing elastomeric origami for morphing applications

NASA Astrophysics Data System (ADS)

Daynes, Stephen; Trask, Richard S.; Weaver, Paul M.

2014-12-01

A structural concept based upon the principles of adaptive morphing cells is presented whereby controlled bistability from a flat configuration into a textured arrangement is shown. The material consists of multiple cells made from silicone rubber with locally reinforced regions based upon kirigami principles. On pneumatic actuation these cells fold or unfold based on the fold lines created by the interaction of the geometry with the reinforced regions. Each cell is able to maintain its shape in either a retracted or deployed state, without the aid of mechanisms or sustained actuation, due to the existence of structural bistability. Mathematical quantification of the surface texture is introduced, based on out-of-plane deviations of a deployed structure compared to a reference plane. Additionally, finite element analysis is employed to characterize the geometry and stability of an individual cell during actuation and retraction. This investigation highlights the critical role that angular rotation, at the center of each cell, plays on the deployment angle as it transitions through the elastically deployed configuration. The analysis of this novel concept is presented and a pneumatically actuated proof-of-concept demonstrator is fabricated.

Stress focusing and collapse of a thin film under constant pressure

NASA Astrophysics Data System (ADS)

Hamm, Eugenio; Cabezas, Nicolas

2012-02-01

Thin elastic sheets and shells are prone to focus stress when forced, due to their near inextensibility. Singular structures such as ridges, vertices, and folds arising from wrinkles, are characteristic of the deformation of such systems. Usually the forcing is exerted at the boundaries or at specific points of the surface, in displacement controlled experiments. On the other hand, much of the phenomenology of stress focusing can be found at micro and nanoscales, in physics and biology, making it universal. We will consider the post-buckling regime of a thin elastic sheet that is subjected to a constant normal distributed force. Specifically, we will present experiments made on thin elastoplastic sheets that collapse under atmospheric pressure. For instance, in vacuum-sealing technology, when a flat plastic bag is forced to wrap a solid volume, a series of self-contacts and folds develop. The unfolded bag shows a pattern of scars whose structure is determined by the geometry of the volume and by the exact way it stuck to its surface, by friction. Inspired by this everyday example we study the geometry of folds that result from collapsing a hermetic bag on regular rigid bodies.

An analytical method for predicting the geometrical and optical properties of the human lens under accommodation

PubMed Central

Sheil, Conor J.; Bahrami, Mehdi; Goncharov, Alexander V.

2014-01-01

We present an analytical method to describe the accommodative changes in the human crystalline lens. The method is based on the geometry-invariant lens model, in which the gradient-index (GRIN) iso-indicial contours are coupled to the external shape. This feature ensures that any given number of iso-indicial contours does not change with accommodation, which preserves the optical integrity of the GRIN structure. The coupling also enables us to define the GRIN structure if the radii and asphericities of the external lens surfaces are known. As an example, the accommodative changes in lenticular radii and central thickness were taken from the literature, while the asphericities of the external surfaces were derived analytically by adhering to the basic physical conditions of constant lens volume and its axial position. The resulting changes in lens geometry are consistent with experimental data, and the optical properties are in line with expected values for optical power and spherical aberration. The aim of the paper is to provide an anatomically and optically accurate lens model that is valid for 3 mm pupils and can be used as a new tool for better understanding of accommodation. PMID:24877022

An analytical method for predicting the geometrical and optical properties of the human lens under accommodation.

PubMed

Sheil, Conor J; Bahrami, Mehdi; Goncharov, Alexander V

2014-05-01

We present an analytical method to describe the accommodative changes in the human crystalline lens. The method is based on the geometry-invariant lens model, in which the gradient-index (GRIN) iso-indicial contours are coupled to the external shape. This feature ensures that any given number of iso-indicial contours does not change with accommodation, which preserves the optical integrity of the GRIN structure. The coupling also enables us to define the GRIN structure if the radii and asphericities of the external lens surfaces are known. As an example, the accommodative changes in lenticular radii and central thickness were taken from the literature, while the asphericities of the external surfaces were derived analytically by adhering to the basic physical conditions of constant lens volume and its axial position. The resulting changes in lens geometry are consistent with experimental data, and the optical properties are in line with expected values for optical power and spherical aberration. The aim of the paper is to provide an anatomically and optically accurate lens model that is valid for 3 mm pupils and can be used as a new tool for better understanding of accommodation.

Azobenzene versus 3,3',5,5'-tetra-tert-butyl-azobenzene (TBA) at Au(111): characterizing the role of spacer groups.

PubMed

McNellis, Erik R; Bronner, Christopher; Meyer, Jörg; Weinelt, Martin; Tegeder, Petra; Reuter, Karsten

2010-06-28

We present large-scale density-functional theory (DFT) calculations and temperature programmed desorption measurements to characterize the structural, energetic and vibrational properties of the functionalized molecular switch 3,3',5,5'-tetra-tert-butyl-azobenzene (TBA) adsorbed at Au(111). Particular emphasis is placed on exploring the accuracy of the semi-empirical dispersion correction approach to semi-local DFT (DFT-D) in accounting for the substantial van der Waals component in the surface bonding. In line with previous findings for benzene and pure azobenzene at coinage metal surfaces, DFT-D significantly overbinds the molecule, but seems to yield an accurate adsorption geometry as far as can be judged from the experimental data. Comparing the trans adsorption geometry of TBA and azobenzene at Au(111) reveals a remarkable insensitivity of the structural and vibrational properties of the -N[double bond, length as m-dash]N- moiety. This questions the established view of the role of the bulky tert-butyl-spacer groups for the switching of TBA in terms of a mere geometric decoupling of the photochemically active diazo-bridge from the gold substrate.

Rational design of alpha-helical tandem repeat proteins with closed architectures

PubMed Central

Doyle, Lindsey; Hallinan, Jazmine; Bolduc, Jill; Parmeggiani, Fabio; Baker, David; Stoddard, Barry L.; Bradley, Philip

2015-01-01

Tandem repeat proteins, which are formed by repetition of modular units of protein sequence and structure, play important biological roles as macromolecular binding and scaffolding domains, enzymes, and building blocks for the assembly of fibrous materials1,2. The modular nature of repeat proteins enables the rapid construction and diversification of extended binding surfaces by duplication and recombination of simple building blocks3,4. The overall architecture of tandem repeat protein structures – which is dictated by the internal geometry and local packing of the repeat building blocks – is highly diverse, ranging from extended, super-helical folds that bind peptide, DNA, and RNA partners5–9, to closed and compact conformations with internal cavities suitable for small molecule binding and catalysis10. Here we report the development and validation of computational methods for de novo design of tandem repeat protein architectures driven purely by geometric criteria defining the inter-repeat geometry, without reference to the sequences and structures of existing repeat protein families. We have applied these methods to design a series of closed alpha-solenoid11 repeat structures (alpha-toroids) in which the inter-repeat packing geometry is constrained so as to juxtapose the N- and C-termini; several of these designed structures have been validated by X-ray crystallography. Unlike previous approaches to tandem repeat protein engineering12–20, our design procedure does not rely on template sequence or structural information taken from natural repeat proteins and hence can produce structures unlike those seen in nature. As an example, we have successfully designed and validated closed alpha-solenoid repeats with a left-handed helical architecture that – to our knowledge – is not yet present in the protein structure database21. PMID:26675735

Order and Jamming on Curved Surfaces

NASA Astrophysics Data System (ADS)

Burke, Christopher J.

Geometric frustration occurs when a physical system's preferred ordering (e.g. spherical particles packing in a hexagonal lattice) is incompatible with the system's geometry. An example of this occurs in arrested relaxation in Pickering emulsions. Pickering emulsions are emulsions (e.g. mixtures of oil and water) with colloidal particles mixed in. The particles tend to lie at an oil-water interface, and can coat the surface of droplets within the emulsion (e.g. an oil droplet surrounded by water.) If a droplet is deformed from its spherical ground state, more particles adsorb at the surface, and the droplet is allowed to relax, then the particles on the surface can become close packed and prevent further relaxation, arresting the droplet in a non-spherical shape. The resulting structures tend to be relatively well ordered with regions of highly hexagonal packings; however, the curvature of the surface prevents perfect ordering and defects in the packing are required. These defects may influence the stability of these structures, making it important to understand how to predict and control them for applications in the food, cosmetic, oil, and medical industries. In this work, we use simulations to study the ordering and stability of sphere packings on arrested emulsions droplets. We first isolate the role of surface geometry by creating packings on a static ellipsoidal surface. Next we perform simulations which include dynamic effects that are present in the experimental Pickering emulsion system. Packings are created by evolving an ellipsoidal surface towards a spherical shape at fixed volume; the effects of relaxation rate, interparticle attraction, and gravity are determined. Finally, we study jamming on curved surfaces. Packings of hard particles are used to study marginally stable packings and the role curvature plays in constraining them. We also study packings of soft particles, compressed beyond marginal stability, and find that geometric frustration plays an important role in determining their mechanical properties.

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.

Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory† †Electronic supplementary information (ESI) available: Experimental and computational details, as well as further details on the results and analyses. See DOI: 10.1039/c7nr07319d

PubMed Central

Meier, Matthias; Jakub, Zdeněk; Balajka, Jan; Hulva, Jan; Bliem, Roland; Thakur, Pardeep K.; Lee, Tien-Lin; Franchini, Cesare; Schmid, Michael; Diebold, Ulrike; Allegretti, Francesco; Parkinson, Gareth S.

2018-01-01

Accurately modelling the structure of a catalyst is a fundamental prerequisite for correctly predicting reaction pathways, but a lack of clear experimental benchmarks makes it difficult to determine the optimal theoretical approach. Here, we utilize the normal incidence X-ray standing wave (NIXSW) technique to precisely determine the three dimensional geometry of Ag1 and Cu1 adatoms on Fe3O4(001). Both adatoms occupy bulk-continuation cation sites, but with a markedly different height above the surface (0.43 ± 0.03 Å (Cu1) and 0.96 ± 0.03 Å (Ag1)). HSE-based calculations accurately predict the experimental geometry, but the more common PBE + U and PBEsol + U approaches perform poorly. PMID:29334395

Controllable Edge Feature Sharpening for Dental Applications

PubMed Central

2014-01-01

This paper presents a new approach to sharpen blurred edge features in scanned tooth preparation surfaces generated by structured-light scanners. It aims to efficiently enhance the edge features so that the embedded feature lines can be easily identified in dental CAD systems, and to avoid unnatural oversharpening geometry. We first separate the feature regions using graph-cut segmentation, which does not require a user-defined threshold. Then, we filter the face normal vectors to propagate the geometry from the smooth region to the feature region. In order to control the degree of the sharpness, we propose a feature distance measure which is based on normal tensor voting. Finally, the vertex positions are updated according to the modified face normal vectors. We have applied the approach to scanned tooth preparation models. The results show that the blurred edge features are enhanced without unnatural oversharpening geometry. PMID:24741376

Controllable edge feature sharpening for dental applications.

PubMed

Fan, Ran; Jin, Xiaogang

2014-01-01

This paper presents a new approach to sharpen blurred edge features in scanned tooth preparation surfaces generated by structured-light scanners. It aims to efficiently enhance the edge features so that the embedded feature lines can be easily identified in dental CAD systems, and to avoid unnatural oversharpening geometry. We first separate the feature regions using graph-cut segmentation, which does not require a user-defined threshold. Then, we filter the face normal vectors to propagate the geometry from the smooth region to the feature region. In order to control the degree of the sharpness, we propose a feature distance measure which is based on normal tensor voting. Finally, the vertex positions are updated according to the modified face normal vectors. We have applied the approach to scanned tooth preparation models. The results show that the blurred edge features are enhanced without unnatural oversharpening geometry.

Antibacterial Au nanostructured surfaces

NASA Astrophysics Data System (ADS)

Wu, Songmei; Zuber, Flavia; Brugger, Juergen; Maniura-Weber, Katharina; Ren, Qun

2016-01-01

We present here a technological platform for engineering Au nanotopographies by templated electrodeposition on antibacterial surfaces. Three different types of nanostructures were fabricated: nanopillars, nanorings and nanonuggets. The nanopillars are the basic structures and are 50 nm in diameter and 100 nm in height. Particular arrangement of the nanopillars in various geometries formed nanorings and nanonuggets. Flat surfaces, rough substrate surfaces, and various nanostructured surfaces were compared for their abilities to attach and kill bacterial cells. Methicillin-resistant Staphylococcus aureus, a Gram-positive bacterial strain responsible for many infections in health care system, was used as the model bacterial strain. It was found that all the Au nanostructures, regardless their shapes, exhibited similar excellent antibacterial properties. A comparison of live cells attached to nanotopographic surfaces showed that the number of live S. aureus cells was <1% of that from flat and rough reference surfaces. Our micro/nanofabrication process is a scalable approach based on cost-efficient self-organization and provides potential for further developing functional surfaces to study the behavior of microbes on nanoscale topographies.We present here a technological platform for engineering Au nanotopographies by templated electrodeposition on antibacterial surfaces. Three different types of nanostructures were fabricated: nanopillars, nanorings and nanonuggets. The nanopillars are the basic structures and are 50 nm in diameter and 100 nm in height. Particular arrangement of the nanopillars in various geometries formed nanorings and nanonuggets. Flat surfaces, rough substrate surfaces, and various nanostructured surfaces were compared for their abilities to attach and kill bacterial cells. Methicillin-resistant Staphylococcus aureus, a Gram-positive bacterial strain responsible for many infections in health care system, was used as the model bacterial strain. It was found that all the Au nanostructures, regardless their shapes, exhibited similar excellent antibacterial properties. A comparison of live cells attached to nanotopographic surfaces showed that the number of live S. aureus cells was <1% of that from flat and rough reference surfaces. Our micro/nanofabrication process is a scalable approach based on cost-efficient self-organization and provides potential for further developing functional surfaces to study the behavior of microbes on nanoscale topographies. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06157a

Triangle Geometry Processing for Surface Modeling and Cartesian Grid Generation

NASA Technical Reports Server (NTRS)

Aftosmis, Michael J. (Inventor); Melton, John E. (Inventor); Berger, Marsha J. (Inventor)

2002-01-01

Cartesian mesh generation is accomplished for component based geometries, by intersecting components subject to mesh generation to extract wetted surfaces with a geometry engine using adaptive precision arithmetic in a system which automatically breaks ties with respect to geometric degeneracies. During volume mesh generation, intersected surface triangulations are received to enable mesh generation with cell division of an initially coarse grid. The hexagonal cells are resolved, preserving the ability to directionally divide cells which are locally well aligned.

Triangle geometry processing for surface modeling and cartesian grid generation

DOEpatents

Aftosmis, Michael J [San Mateo, CA; Melton, John E [Hollister, CA; Berger, Marsha J [New York, NY

2002-09-03

Cartesian mesh generation is accomplished for component based geometries, by intersecting components subject to mesh generation to extract wetted surfaces with a geometry engine using adaptive precision arithmetic in a system which automatically breaks ties with respect to geometric degeneracies. During volume mesh generation, intersected surface triangulations are received to enable mesh generation with cell division of an initially coarse grid. The hexagonal cells are resolved, preserving the ability to directionally divide cells which are locally well aligned.

Finsler geometry of nonlinear elastic solids with internal structure

NASA Astrophysics Data System (ADS)

Clayton, J. D.

2017-02-01

Concepts from Finsler differential geometry are applied towards a theory of deformable continua with internal structure. The general theory accounts for finite deformation, nonlinear elasticity, and various kinds of structural features in a solid body. The general kinematic structure of the theory includes macroscopic and microscopic displacement fields-i.e., a multiscale representation-whereby the latter are represented mathematically by the director vector of pseudo-Finsler space, not necessarily of unit magnitude. A physically appropriate fundamental (metric) tensor is introduced, leading to affine and nonlinear connections. A deformation gradient tensor is defined via differentiation of the macroscopic motion field, and another metric indicative of strain in the body is a function of this gradient. A total energy functional of strain, referential microscopic coordinates, and horizontal covariant derivatives of the latter is introduced. Variational methods are applied to derive Euler-Lagrange equations and Neumann boundary conditions. The theory is shown to encompass existing continuum physics models such as micromorphic, micropolar, strain gradient, phase field, and conventional nonlinear elasticity models, and it can reduce to such models when certain assumptions on geometry, kinematics, and energy functionals are imposed. The theory is applied to analyze two physical problems in crystalline solids: shear localization/fracture in a two-dimensional body and cavitation in a spherical body. In these examples, a conformal or Weyl-type transformation of the fundamental tensor enables a description of dilatation associated, respectively, with cleavage surface roughness and nucleation of voids or vacancies. For the shear localization problem, the Finsler theory is able to accurately reproduce the surface energy of Griffith's fracture mechanics, and it predicts dilatation-induced toughening as observed in experiments on brittle crystals. For the cavitation problem, the Finsler theory is able to accurately reproduce the vacancy formation energy at a nanoscale resolution, and various solutions describe localized cavitation at the core of the body and/or distributed dilatation and softening associated with amorphization as observed in atomic simulations, with relative stability of solutions depending on the regularization length.

Surface Heat Flux and Pressure Distribution on a Hypersonic Blunt Body With DEAS

NASA Astrophysics Data System (ADS)

Salvador, I. I.; Minucci, M. A. S.; Toro, P. G. P.; Oliveira, A. C.; Channes, J. B.

2008-04-01

With the currently growing interest for advanced technologies to enable hypersonic flight comes the Direct Energy Air Spike concept, where pulsed beamed laser energy is focused upstream of a blunt flight vehicle to disrupt the flow structure creating a virtual, slender body geometry. This allies in the vehicle both advantages of a blunt body (lower thermal stresses) to that of a slender geometry (lower wave drag). The research conducted at the Henry T. Nagamatsu Laboratory for Aerodynamics and Hypersonics focused on the measurement of the surface pressure and heat transfer rates on a blunt model. The hypersonic flight conditions were simulated at the HTN Laboratory's 0.3 m T2 Hypersonic Shock Tunnel. During the tests, the laser energy was focused upstream the model by an infrared telescope to create the DEAS effect, which was supplied by a TEA CO2 laser. Piezoelectric pressure transducers were used for the pressure measurements and fast response coaxial thermocouples were used for the measurement of surface temperature, which was later used for the estimation of the wall heat transfer using the inverse heat conduction theory.

Dehydrogenation of benzene on Pt(111) surface

NASA Astrophysics Data System (ADS)

Gao, W.; Zheng, W. T.; Jiang, Q.

2008-10-01

The dehydrogenation of benzene on Pt(111) surface is studied by ab initio density functional theory. The minimum energy pathways for benzene dehydrogenation are found with the nudge elastic band method including several factors of the associated barriers, reactive energies, intermediates, and transient states. The results show that there are two possible parallel minimum energy pathways on the Pt(111) surface. Moreover, the tilting angle of the H atom in benzene can be taken as an index for the actual barrier of dehydrogenation. In addition, the properties of dehydrogenation radicals on the Pt(111) surface are explored through their adsorption energy, adsorption geometry, and electronic structure on the surface. The vibrational frequencies of the dehydrogenation radicals derived from the calculations are in agreement with literature data.

Dehydrogenation of benzene on Pt(111) surface.

PubMed

Gao, W; Zheng, W T; Jiang, Q

2008-10-28

The dehydrogenation of benzene on Pt(111) surface is studied by ab initio density functional theory. The minimum energy pathways for benzene dehydrogenation are found with the nudge elastic band method including several factors of the associated barriers, reactive energies, intermediates, and transient states. The results show that there are two possible parallel minimum energy pathways on the Pt(111) surface. Moreover, the tilting angle of the H atom in benzene can be taken as an index for the actual barrier of dehydrogenation. In addition, the properties of dehydrogenation radicals on the Pt(111) surface are explored through their adsorption energy, adsorption geometry, and electronic structure on the surface. The vibrational frequencies of the dehydrogenation radicals derived from the calculations are in agreement with literature data.

Insights into drying of non-circular sessile nanofluid droplet towards multi-scale surface patterning using a wall-less confinement architecture.

PubMed

Kabi, Prasenjit; Chaudhuri, Swetaprovo; Basu, Saptarshi

2016-10-04

Surface patterning with functional colloids is an important research area due to its widespread applicability in domains ranging from nano-electronics, pharmaceutics, semi-conductors, photovoltaics among others. To this endeavour, we propose a low-cost patterning technique that aspires to eliminate the more expensive methodologies presently in practise. Using a simple document stamp on which patterns of any geometry can be embossed, we are able to print two-dimensional mm-scale "wall-less confinement" using ink based hydrophobic fence on any plasma treated superhydrophilic surface. The confinement is subsequently filled with nanocolloidal liquid(s). Using the confinement geometry, we are able to control the 3D shape of the droplet to exhibit multiple interfacial curvatures. The droplet in the "wall-less confinements" evaporates naturally exhibiting unique geometry (curvature) induced flow structures which induce the nanoparticles to self-assemble into functional patterns. We have also shown that by modifying the geometry of the pattern, evaporation, flow and particle deposition dynamics get altered leading to precipitate topologies from macro to microscales. We, present two such geometrical designs which demonstrate the capability of modifying both the macroscopic as well as the microscopic features of the final precipitate. We have also provided a description of the physical mechanisms of the drying process by resolving the unique flow pattern using a combination of imaging and μPIV (micro particle image velocimetry). These provide insights into the coupled dynamics of evaporation and flow responsible for the evolution of particle deposition pattern. Precipitate characterization using SEM and dark-field microscopy highlight the transformation in the deposit morphology.

Conceptual Model for Basement and Surface Structure Relationships in an Oblique Collision, Sawtooth Range, MT

NASA Astrophysics Data System (ADS)

Palu, J. M.; Burberry, C. M.

2014-12-01

The reactivation potential of pre-existing basement structures affects the geometry of subsequent deformation structures. A conceptual model depicting the results of these interactions can be applied to multiple fold-thrust systems and lead to valuable deformation predictions. These predictions include the potential for hydrocarbon traps or seismic risk in an actively deforming area. The Sawtooth Range, Montana, has been used as a study area. A model for the development of structures close to the Augusta Syncline in the Sawtooth Range is being developed using: 1) an ArcGIS map of the basement structures of the belt based on analysis of geophysical data indicating gravity anomalies and aeromagnetic lineations, seismic data indicating deformation structures, and well logs for establishing lithologies, previously collected by others and 2) an ArcGIS map of the surface deformation structures of the belt based on interpretation of remote sensing images and verification through the collection of surface field data indicating stress directions and age relationships, resulting in a conceptual model based on the understanding of the interaction of the two previous maps including statistical correlations of data and development of balanced cross-sections using Midland Valley's 2D/3D Move software. An analysis of the model will then indicate viable deformation paths where prominent basement structures influenced subsequently developed deformation structures and reactivated faults. Preliminary results indicate that the change in orientation of thrust faults observed in the Sawtooth Range, from a NNW-SSE orientation near the Gibson Reservoir to a WNW-ESE trend near Haystack Butte correlates with pre-existing deformation structures lying within the Great Falls Tectonic Zone. The Scapegoat-Bannatyne trend appears to be responsible for this orientation change and rather than being a single feature, may be composed of up to 4 NE-SW oriented basement strike-slip faults. This indicates that the pre-existing basement features have a profound effect on the geometry of the later deformation. This conceptual model can also be applied to other deformed belts to provide a prediction for the potential hydrocarbon trap locations of the belt as well as their seismic risk.

Development of a patient-specific anatomical foot model from structured light scan data.

PubMed

Lochner, Samuel J; Huissoon, Jan P; Bedi, Sanjeev S

2014-01-01

The use of anatomically accurate finite element (FE) models of the human foot in research studies has increased rapidly in recent years. Uses for FE foot models include advancing knowledge of orthotic design, shoe design, ankle-foot orthoses, pathomechanics, locomotion, plantar pressure, tissue mechanics, plantar fasciitis, joint stress and surgical interventions. Similar applications but for clinical use on a per-patient basis would also be on the rise if it were not for the high costs associated with developing patient-specific anatomical foot models. High costs arise primarily from the expense and challenges of acquiring anatomical data via magnetic resonance imaging (MRI) or computed tomography (CT) and reconstructing the three-dimensional models. The proposed solution morphs detailed anatomy from skin surface geometry and anatomical landmarks of a generic foot model (developed from CT or MRI) to surface geometry and anatomical landmarks acquired from an inexpensive structured light scan of a foot. The method yields a patient-specific anatomical foot model at a fraction of the cost of standard methods. Average error for bone surfaces was 2.53 mm for the six experiments completed. Highest accuracy occurred in the mid-foot and lowest in the forefoot due to the small, irregular bones of the toes. The method must be validated in the intended application to determine if the resulting errors are acceptable.

Theory of topological insulator waveguides: polarization control and the enhancement of the magneto-electric effect

PubMed Central

Crosse, J. A.

2017-01-01

Topological insulators subject to a time-reversal-symmetry-breaking perturbation are predicted to display a magneto-electric effect that causes the electric and magnetic induction fields to mix at the material’s surface. This effect induces polarization rotations of between ≈1–10 mrad per interface in an incident plane-polarized electromagnetic wave normal to a multilayered structure. Here we show, theoretically and numerically, that by using a waveguide geometry with a topological insulator guide layer and magneto-dielectric cladding it is possible to achieve rotations of ≈100 mrad and generate an elliptical polarization with only a three-layered structure. This geometry is beneficial, not only as a way to enhance the magneto-electric effect, rendering it easier to observe, but also as a method for controlling the polarization of electromagnetic radiation. PMID:28220875

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

Sharma, Rabindar K., E-mail: rkrksharma6@gmail.com; Reddy, G. B., E-mail: rkrksharma6@gmail.com

In this report, we synthesize vertically aligned molybdenum trioxide (α−MoO{sub 3}) nanoflakes (NFs) with high aspect ratio (height/thickness >15) on the cobalt coated glass substrates by the plasma assisted sublimation process, employing Mo metal strip as a sublimation source. The effect of substrate temperature, nature of substrate as well as the geometry of the sublimation source (Mo-strip) have been investigated on the morphological, structural and optical properties of the grown NFs, keeping plasma parameters as fixed. The surface morphology, crystalline structure and optical properties of MoO{sub 3} NFs have been studied systematically by using scanning electron microscope (SEM), transmission electronmore » microscope (TEM) with selected area electron diffraction (SAED), X-ray diffractometer, and IR- spectroscopy. The experimental observations endorse that the characteristics of MoO{sub 3} NFs are strongly depend on substrate temperature, substrate nature as well as geometry of Mo-strip. All the observed results are well in consonance with each other.« less

Coupling impedance and wake functions for laminated structures with an application to the Fermilab Booster

DOE PAGES

Macridin, Alexandru; Spentzouris, Panagiotis; Amundson, James; ...

2011-06-28

We calculate the impedance and wake functions for laminated structures with parallel-plane and circular geometries. We critically examine the approximations used in the literature for the coupling impedance in laminated chambers and find that most of them are not justified because the wall surface impedance is large. A comparison between flat and circular geometry impedances is presented. We apply our calculation in a state-of-the-art beam dynamics simulation of the Fermilab Booster which includes nonlinear optics, laminated wakefields, and space charge impedance. The latter can have a significant effect away from the ultrarelativistic limit. Even though the simulations and the comparisonmore » with the experiment are done at the Booster injection energy, where the relativistic factor γ = 1.42, we find good agreement between our calculation of the coherent tune shift and recent experimental measurements.« less

Microstructured block copolymer surfaces for control of microbe capture and aggregation

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

Hansen, Ryan R; Shubert, Katherine R; Morrell, Jennifer L.

2014-01-01

The capture and arrangement of surface-associated microbes is influenced by biochemical and physical properties of the substrate. In this report, we develop lectin-functionalized substrates containing patterned, three-dimensional polymeric structures of varied shapes and densities and use these to investigate the effects of topology and spatial confinement on lectin-mediated microbe capture. Films of poly(glycidyl methacrylate)-block-4,4-dimethyl-2-vinylazlactone (PGMA-b-PVDMA) were patterned on silicon surfaces into line or square grid patterns with 5 m wide features and varied edge spacing. The patterned films had three-dimensional geometries with 900 nm film thickness. After surface functionalization with wheat germ agglutinin, the size of Pseudomonas fluorescens aggregates capturedmore » was dependent on the pattern dimensions. Line patterns with edge spacing of 5 m or less led to the capture of individual microbes with minimal formation of aggregates, while grid patterns with the same spacing also captured individual microbes with further reduction in aggregation. Both geometries allowed for increases in aggregate size distribution with increased in edge spacing. These engineered surfaces combine spatial confinement with affinity-based microbe capture based on exopolysaccharide content to control the degree of microbe aggregation, and can also be used as a platform to investigate intercellular interactions and biofilm formation in microbial populations of controlled sizes.« less

Drift Wave Simulation in Toroidal Geometry.

NASA Astrophysics Data System (ADS)

Lebrun, Maurice Joseph, III

1988-12-01

The drift wave, a general category of plasma behavior arising from a plasma inhomogeneity, is studied using the particle simulation method. In slab geometry, the drift wave (or universal mode) is stabilized by any finite amount of magnetic shear. In toroidal geometry, however, the coupling of the poloidal harmonics gives rise to a new branch of drift wave eigenmodes called the toroidicity -induced mode, which is predicted to be unstable in some regimes. The drift wave in a toroidal system is intrinsically three-dimensional, and is sensitive to the handling of the parallel electron dynamics, the (nearly) perpendicular wave dynamics, and the radial variation of magnetic field vector (shear). A simulation study must therefore be kinetic in nature, motivating the extension of particle simulation techniques to complex geometries. From this effort a three dimensional particle code in a toroidal coordinate system has been developed and applied to the toroidal drift wave problem. The code uses an (r,theta,phi) -type coordinate system, and a nonuniform radial grid that increases resolution near the mode-rational surfaces. Full ion dynamics and electron guiding center dynamics are employed. Further, the algorithm incorporates a straightforward limiting process to cylindrical geometry and slab geometry, enabling comparison to the theoretical results in these regimes. Simulations of the density-driven modes in toroidal geometry retain a single toroidal mode number (n = 9). In this regime, the poloidal harmonics are expected to be strongly coupled, giving rise to the marginally unstable toroidicity-induced drift mode. Analysis of the simulation data reveals a strong, low-frequency response that peaks near each mode rational surface. Further, the characteristic oscillation frequencies persist from one mode rational surface to the next, which identifies them as multiple harmonics of the toroidicity-induced mode. The lowest harmonic occurs at a frequency of omega/ omega^{*} ~ 0.26, which is reasonably close to the prediction of linear theory. Interferogram analysis of these modes indicates a "ballooning" structure toward the outside of the torus. The amplitude of the potential is observed to grow exponentially for the m = 8 through m = 10 poloidal mode numbers, with a growth rate of approximately gamma/omega ^{*} ~ 0.075. Saturation occurs at time t ~ 1000 Omega_sp{i}{-1}, and may be caused by quasilinear flattening of the density profile.

Geometric asymmetry driven Janus micromotors

NASA Astrophysics Data System (ADS)

Zhao, Guanjia; Pumera, Martin

2014-09-01

The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a ``coconut'' micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors.The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a ``coconut'' micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors. Electronic supplementary information (ESI) available: Additional SEM images, data analysis, Videos S-1 and S-2. See DOI: 10.1039/c4nr02393e

Electrical resistivity imaging in transmission between surface and underground tunnel for fault characterization

NASA Astrophysics Data System (ADS)

Lesparre, N.; Boyle, A.; Grychtol, B.; Cabrera, J.; Marteau, J.; Adler, A.

2016-05-01

Electrical resistivity images supply information on sub-surface structures and are classically performed to characterize faults geometry. Here we use the presence of a tunnel intersecting a regional fault to inject electrical currents between surface and the tunnel to improve the image resolution at depth. We apply an original methodology for defining the inversion parametrization based on pilot points to better deal with the heterogeneous sounding of the medium. An increased region of high spatial resolution is shown by analysis of point spread functions as well as inversion of synthetics. Such evaluations highlight the advantages of using transmission measurements by transferring a few electrodes from the main profile to increase the sounding depth. Based on the resulting image we propose a revised structure for the medium surrounding the Cernon fault supported by geological observations and muon flux measurements.

Evolution of vortex-surface fields in transitional boundary layers

NASA Astrophysics Data System (ADS)

Yang, Yue; Zhao, Yaomin; Xiong, Shiying

2016-11-01

We apply the vortex-surface field (VSF), a Lagrangian-based structure-identification method, to the DNS database of transitional boundary layers. The VSFs are constructed from the vorticity fields within a sliding window at different times and locations using a recently developed boundary-constraint method. The isosurfaces of VSF, representing vortex surfaces consisting of vortex lines with different wall distances in the laminar stage, show different evolutionary geometries in transition. We observe that the vortex surfaces with significant deformation evolve from wall-parallel planar sheets through hairpin-like structures and packets into a turbulent spot with regeneration of small-scale hairpins. From quantitative analysis, we show that a small number of representative or influential vortex surfaces can contribute significantly to the increase of the drag coefficient in transition, which implies a reduced-order model based on VSF. This work has been supported in part by the National Natural Science Foundation of China (Grant Nos. 11472015, 11522215 and 11521091), and the Thousand Young Talents Program of China.

Surface structure analysis of BaSi2(100) epitaxial film grown on Si(111) using CAICISS

NASA Astrophysics Data System (ADS)

Okasaka, Shouta; Kubo, Osamu; Tamba, Daiki; Ohashi, Tomohiro; Tabata, Hiroshi; Katayama, Mitsuhiro

2015-05-01

Geometry and surface structure of a BaSi2(100) film on Si(111) formed by reactive deposition epitaxy (RDE) have been investigated using coaxial impact-collision ion scattering spectroscopy and atomic force microscopy. BaSi2(100) film can be grown only when the Ba deposition rate is sufficiently fast. It is revealed that a BaSi2(100) film grown at 600 °C has better crystallinity than a film grown at 750 °C owing to the mixture of planes other than (100) in the RDE process at higher temperatures. The azimuth angle dependence of the scattering intensity from Ba shows sixfold symmetry, indicating that the minimum height of surface steps on BaSi2(100) is half of the length of unit cell. By comparing the simulated azimuth angle dependences for more than ten surface models with experimental one, it is strongly indicated that the surface of a BaSi2(100) film grown on Si(111) is terminated by Si tetrahedra.

Electronic structure of BaO/W cathode surfaces

NASA Technical Reports Server (NTRS)

Muller, Wolfgang

1989-01-01

The local electronic structure of the emissive layer of barium dispenser thermionic cathodes is investigated theoretically using the relativistic scattered-wave approach. The interaction of Ba and O with W, Os, and W-Os alloy surfaces is studied with atomic clusters modeling different absorption environments representative of B- and M-type cathodes. Ba is found to be strongly oxidized, while O and the metal substrate are in a reduced chemical state. The presence of O enhances the surface dipole and Ba binding energy relative to Ba on W. Model results for W-Os alloy substrates show only relatively small changes in Ba and O for identical geometries, but very large charge redistributions inside the substrate, which are attributed to the electronegativity difference between Os and W. If Os is present in the surface layer, the charge transfer from Ba to the substrate and the Ba binding energy increase relative to W. Explanations are offered for the improved electron emission from alloy surfaces and the different emission enhancement for different alloy substrates.

Anisotropic optical transmission of femtosecond laser induced periodic surface nanostructures on indium-tin-oxide films.

PubMed

Wang, Chih; Wang, Hsuan-I; Luo, Chih-Wei; Leu, Jihperng

2012-09-03

Two types of periodic nanostructures, self-organized nanodots and nanolines, were fabricated on the surfaces of indium-tin-oxide (ITO) films using femtosecond laser pulse irradiation. Multiple periodicities (approximately 800 nm and 400 nm) were clearly observed on the ITO films with nanodot and nanoline structures and were identified using two-dimensional Fourier transformation patterns. Both nanostructures show the anisotropic transmission characteristics in the visible range, which are strongly correlated with the geometry and the metallic content of the laser-induced nanostructures.

Anisotropic optical transmission of femtosecond laser induced periodic surface nanostructures on indium-tin-oxide films

PubMed Central

Wang, Chih; Wang, Hsuan-I; Luo, Chih-Wei; Leu, Jihperng

2012-01-01

Two types of periodic nanostructures, self-organized nanodots and nanolines, were fabricated on the surfaces of indium-tin-oxide (ITO) films using femtosecond laser pulse irradiation. Multiple periodicities (approximately 800 nm and 400 nm) were clearly observed on the ITO films with nanodot and nanoline structures and were identified using two-dimensional Fourier transformation patterns. Both nanostructures show the anisotropic transmission characteristics in the visible range, which are strongly correlated with the geometry and the metallic content of the laser-induced nanostructures. PMID:23066167

Computational Study of the Adsorption of Dimethyl Methylphosphonate (DMMP) on the (010) Surface of Anatase TiO2 With and Without Faceting

DTIC Science & Technology

2009-12-05

surface area of anatase nanocrystals [6] and to be es- pecially active in photocatalysis [7]. Recent work by Dzwigaj et al. [8] has clearly shown that the...two-fold-coordinated (O2c) sites can also be involved in hydrogen bond (H-bond) formation. The effects, on the structure of the (100) and other...To reduce the computational cost , geometry optimization was done at the restricted Hartree Fock (RHF) level. This has previously been shown [36,37

Stress Recovery and Error Estimation for Shell Structures

NASA Technical Reports Server (NTRS)

Yazdani, A. A.; Riggs, H. R.; Tessler, A.

2000-01-01

The Penalized Discrete Least-Squares (PDLS) stress recovery (smoothing) technique developed for two dimensional linear elliptic problems is adapted here to three-dimensional shell structures. The surfaces are restricted to those which have a 2-D parametric representation, or which can be built-up of such surfaces. The proposed strategy involves mapping the finite element results to the 2-D parametric space which describes the geometry, and smoothing is carried out in the parametric space using the PDLS-based Smoothing Element Analysis (SEA). Numerical results for two well-known shell problems are presented to illustrate the performance of SEA/PDLS for these problems. The recovered stresses are used in the Zienkiewicz-Zhu a posteriori error estimator. The estimated errors are used to demonstrate the performance of SEA-recovered stresses in automated adaptive mesh refinement of shell structures. The numerical results are encouraging. Further testing involving more complex, practical structures is necessary.

LEED STUDY OF Ag(111)-(√ 7×√ 7)R19.1^o-4Ar

NASA Astrophysics Data System (ADS)

Caragiu, Mellita; Diehl, Renee D.; Leatherman, Gerry S.

2000-03-01

Recent LEED studies of the adsorption geometries of Xe and Kr on metal surfaces have indicated that, contrary to expectations, the low-coordination adsorption sites are generally preferred, even on relatively corrugated surfaces such as Cu(1\\overline 1 0). This study extends the range of this phenomenon to include Ar. On Ag(111), Ar can form a commensurate structure, Ag(111)-(√ 7×√ 7)R19.1^o-4Ar, if the step sites are first blocked by preadsorbing another species such as CO. A dynamical LEED analysis of this structure at 33K indicates that the structure includes one atom per unit cell on a top site and the remaining three on bridge sites. This structure is clearly preferred over ones in which hollow sites are occupied, providing evidence that the preference of noble gases atoms for low-coordination sites on metals extends to Ar.

Tribological performance of femtosecond laser-induced periodic surface structures on titanium and a high toughness bearing steel

NASA Astrophysics Data System (ADS)

Bonse, J.; Koter, R.; Hartelt, M.; Spaltmann, D.; Pentzien, S.; Höhm, S.; Rosenfeld, A.; Krüger, J.

2015-05-01

Laser-induced periodic surface structures (LIPSS, ripples) were processed on steel (X30CrMoN15-1) and titanium (Ti) surfaces by irradiation in air with linear polarized femtosecond laser pulses with a pulse duration of 30 fs at 790 nm wavelength. For the processing of large LIPSS covered surface areas (5 mm × 5 mm), the laser fluence and the spatial spot overlap were optimized in a sample-scanning geometry. The laser-processed surfaces were characterized by optical microscopy (OM), white light interference microscopy (WLIM) and scanning electron microscopy (SEM). Spatial LIPSS periods between 450 and 600 nm were determined. The nanostructured surface regions were tribologically tested under reciprocal sliding conditions against a 10-mm diameter ball of hardened 100Cr6 steel. Paraffin oil and engine oil were used as lubricants for 1000 sliding cycles at 1 Hz with a normal load of 1.0 N. The corresponding wear tracks were analyzed by OM and SEM. In particular cases, the laser-generated nanostructures endured the tribological treatment. Simultaneously, a significant reduction of the friction coefficient and the wear was observed in the laser-irradiated (LIPSS-covered) areas when compared to the non-irradiated surface. The experiments reveal the potential benefit of laser surface structuring for tribological applications.

Au-induced deep groove nanowire structure on the Ge(001) surface: DFT calculations

NASA Astrophysics Data System (ADS)

Tsay, Shiow-Fon

2016-09-01

The atomic geometry, stability, and electronic properties of self-organized Au induced nanowires on the Ge(001) surface are investigated based on the density-functional theory in GGA and the stoichiometry of Au. A giant Ge zigzag chain structure is suggested for 0.75 ML Au coverage, which displays c(8 × 2) deep groove zigzag nanowire structure simulated STM images. The top layer Ge and Au atomic disorder introduces the chevron units into the zigzag nanowire structure STM image as per the experimental observations. The zigzag Ge nanowire exhibits a semi-metallic characteristic, and the electric transport occurs in between the Ge zigzag nanowire and the subsurface. The system exhibits obvious electronic correlations among the Ge nanowire, the nano-facet Au trimers and the deeper layer Ge atoms, that play an important role in the electronic structure. At surface Brillouin zone boundaries, an anisotropic two-dimensional upward parabolic surface-state band is consistent with the ARPES spectra reported by Nakatsuji et al. [Phys. Rev. B 80, 081406(R) (2009); Phys. Rev. B 84, 115411 (2011)]; this electronic structure is different from the quasi-one-dimensional energy trough reported by Schäfer et al. [Phys. Rev. Lett. 101, 236802 (2008); Phys. Rev. B 83, 121411(R) (2011)].

Diffracted and head waves associated with waves on nonseparable surfaces

NASA Technical Reports Server (NTRS)

Barger, Raymond L.

1992-01-01

A theory is presented for computing waves radiated from waves on a smooth surface. With the assumption that attention of the surface wave is due only to radiation and not to dissipation in the surface material, the radiation coefficient is derived in terms of the attenuation factor. The excitation coefficient is determined by the reciprocity condition. Formulas for the shape and the spreading of the radiated wave are derived, and some sample calculations are presented. An investigation of resonant phase matching for nonseparable surfaces is presented with a sample calculation. A discussion of how such calculations might be related to resonant frequencies of nonseparable thin shell structures is included. A description is given of nonseparable surfaces that can be modeled in the vector that facilitates use of the appropriate formulas of differential geometry.

Current from a nano-gap hyperbolic diode using shape-factors: Theory

NASA Astrophysics Data System (ADS)

Jensen, Kevin L.; Shiffler, Donald A.; Peckerar, Martin; Harris, John R.; Petillo, John J.

2017-08-01

Quantum tunneling by field emission from nanoscale features or sharp field emission structures for which the anode-cathode gap is nanometers in scale ("nano diodes") experience strong deviations from the planar image charge lowered tunneling barrier used in the Murphy and Good formulation of the Fowler-Nordheim equation. These deviations alter the prediction of total current from a curved surface. Modifications to the emission barrier are modeled using a hyperbolic (prolate spheroidal) geometry to determine the trajectories along which the Gamow factor in a WKB-like treatment is undertaken; a quadratic equivalent potential is determined, and a method of shape factors is used to evaluate the corrected total current from a protrusion or wedge geometry.

Direct laser interference patterning of transparent and colored polymer substrates: ablation, swelling, and the development of a simulation model

NASA Astrophysics Data System (ADS)

Alamri, Sabri; Lasagni, Andrés. F.

2017-02-01

It is well known that micro and sub-micrometer periodical structures play a significant role on the properties of a surface. Ranging from friction reduction to the bacterial adhesion control, the modification of the material surface is the key for improving the performance of a device or even creating a completely new function. Among different laser processing techniques, Direct Laser Interference Patterning (DLIP) relies on the local surface modification process induced when two or more beams interfere and produce periodic surface structures. Although the produced features have controllable pitch and geometry, identical experimental conditions applied to different polymers can result on totally different topologies. In this frame, observations from pigmented and transparent polycarbonate treated with ultraviolet (263 nm) and infrared (1053 nm) laser radiation permitted to identify different phenomena related with the optical and chemical properties of the polymers. As a result from the experimental data analysis, a set of material-dependent constants can be obtained and both profile and surface simulations can be retrieved, reproducing the material surface topography after the surface patterning process.

Geometry and Hydraulics of Englacial Conduits, Storglaciaren, Sweden

NASA Astrophysics Data System (ADS)

Fountain, A. G.; Schlichting, R.; Frodin, S.; Jacobel, R. W.

2001-12-01

Englacial conduits are the primary structure responsible for transporting surface water to the base of a glacier, where it supplies the subglacial hydraulic system and, in turn, affects glacier movement. Despite the well-known theoretical descriptions of englacial conduits, little direct evidence exists about their geometry and hydraulics. In July 2001, we initiated a field effort on Storglaciären, Sweden, to intersect englacial conduits by drilling into the glacier using a hot water drill. A companion project (Jacobel et al., this session) attempted to detect the englacial conduits using ground-penetrating radar. In a typical borehole, the water level remained at the surface while drilling through the impermeable ice. Once a connection was made, the water level dropped roughly 10 m and remained low despite continued water pumping. A small video camera was lowered, with attachments, to measure the geometry of the opening, and water flow speed. The water level in the hole provided a piezometric measure of the pressure. We drilled 22 holes at 3 separate locations and 17 (77%) connected englacially, the remaining 5 reached the bed without englacial connection, of which 2 drained at the bed. The geometry of the connections was highly irregular in cross-section with 1-2 cm openings, reminiscent of crevasse-like features rather than circular cross-sections as anticipated from the theoretical literature. Flow behavior was observed by tracking particle motion. The flow was complicated, in part by the inferred tangential intersection between the borehole and structure, and by the observed surging behavior. Flow speeds were low, on the order of 1 cm sec-1. Water level records from 3 different holes over several days exhibited highly correlated variations and large diurnal excursions. In contrast, records from holes drilled to the bed showed little variation. Based on these measurements, our conceptual picture of the englacial system is that of a sluggish flow system composed of many passages with hydraulically inefficient cross-sections. In general, correlation between the radar images and directly measured connections was inconclusive. However, in one case we believe we drilled to a very clear linear subsurface structure imaged by the radar.

Rapid B-rep model preprocessing for immersogeometric analysis using analytic surfaces

PubMed Central

Wang, Chenglong; Xu, Fei; Hsu, Ming-Chen; Krishnamurthy, Adarsh

2017-01-01

Computational fluid dynamics (CFD) simulations of flow over complex objects have been performed traditionally using fluid-domain meshes that conform to the shape of the object. However, creating shape conforming meshes for complicated geometries like automobiles require extensive geometry preprocessing. This process is usually tedious and requires modifying the geometry, including specialized operations such as defeaturing and filling of small gaps. Hsu et al. (2016) developed a novel immersogeometric fluid-flow method that does not require the generation of a boundary-fitted mesh for the fluid domain. However, their method used the NURBS parameterization of the surfaces for generating the surface quadrature points to enforce the boundary conditions, which required the B-rep model to be converted completely to NURBS before analysis can be performed. This conversion usually leads to poorly parameterized NURBS surfaces and can lead to poorly trimmed or missing surface features. In addition, converting simple geometries such as cylinders to NURBS imposes a performance penalty since these geometries have to be dealt with as rational splines. As a result, the geometry has to be inspected again after conversion to ensure analysis compatibility and can increase the computational cost. In this work, we have extended the immersogeometric method to generate surface quadrature points directly using analytic surfaces. We have developed quadrature rules for all four kinds of analytic surfaces: planes, cones, spheres, and toroids. We have also developed methods for performing adaptive quadrature on trimmed analytic surfaces. Since analytic surfaces have frequently been used for constructing solid models, this method is also faster to generate quadrature points on real-world geometries than using only NURBS surfaces. To assess the accuracy of the proposed method, we perform simulations of a benchmark problem of flow over a torpedo shape made of analytic surfaces and compare those to immersogeometric simulations of the same model with NURBS surfaces. We also compare the results of our immersogeometric method with those obtained using boundary-fitted CFD of a tessellated torpedo shape, and quantities of interest such as drag coefficient are in good agreement. Finally, we demonstrate the effectiveness of our immersogeometric method for high-fidelity industrial scale simulations by performing an aerodynamic analysis of a truck that has a large percentage of analytic surfaces. Using analytic surfaces over NURBS avoids unnecessary surface type conversion and significantly reduces model-preprocessing time, while providing the same accuracy for the aerodynamic quantities of interest. PMID:29051678

Development of Numerical Codes for Modeling Electromagnetic Behavior at High Frequencies Near Large Objects

NASA Technical Reports Server (NTRS)

Joshi, R. P.; Deshpande, M. D. (Technical Monitor)

2003-01-01

A study into the problem of determining electromagnetic solutions at high frequencies for problems involving complex geometries, large sizes and multiple sources (e.g. antennas) has been initiated. Typical applications include the behavior of antennas (and radiators) installed on complex conducting structures (e.g. ships, aircrafts, etc..) with strong interactions between antennas, the radiation patterns, and electromagnetic signals is of great interest for electromagnetic compatibility control. This includes the overall performance evaluation and control of all on-board radiating systems, electromagnetic interference, and personnel radiation hazards. Electromagnetic computational capability exists at NASA LaRC, and many of the codes developed are based on the Moment Method (MM). However, the MM is computationally intensive, and this places a limit on the size of objects and structures that can be modeled. Here, two approaches are proposed: (i) a current-based hybrid scheme that combines the MM with Physical optics, and (ii) an Alternating Direction Implicit-Finite Difference Time Domain (ADI-FDTD) method. The essence of a hybrid technique is to split the overall scattering surface(s) into two regions: (a) a MM zone (MMZ) which can be used over any part of the given geometry, but is most essential over irregular and "non-smooth" geometries, and (b) a PO sub-region (POSR). Currents induced on the scattering and reflecting surfaces can then be computed in two ways depending on whether the region belonged to the MMZ or was part of the POSR. For the MMZ, the current calculations proceed in terms of basis functions with undetermined coefficients (as in the usual MM method), and the answer obtained by solving a system of linear equations. Over the POSR, conduction is obtained as a superposition of two contributions: (i) currents due to the incident magnetic field, and (ii) currents produced by the mutual induction from conduction within the MMZ. This effectively leads to a reduction in the size of linear equations from N to N - Npo with N being the total number of segments for the entire surface and Npo the number of segments over the POSR. The scheme would be appropriate for relatively large, flat surfaces, and at high frequencies. The ADI-FDTD scheme provides for both transient and steady state analyses. The restrictive Courant-Friedrich-Levy (CFL) condition on the time-step is removed, and so large time steps can be chosen even though the spatial grids are small. This report includes the problem definition, a detailed discussion of both the numerical techniques, and numerical implementations for simple surface geometries. Numerical solutions have been derived for a few simple situations.

Free-form machining for micro-imaging systems

NASA Astrophysics Data System (ADS)

Barkman, Michael L.; Dutterer, Brian S.; Davies, Matthew A.; Suleski, Thomas J.

2008-02-01

While mechanical ruling and single point diamond turning has been a mainstay of optical fabrication for many years, many types of micro-optical devices and structures are not conducive to simple diamond turning or ruling, such as, for example, microlens arrays, and optical surfaces with non-radial symmetry. More recent developments in machining technology have enabled significant expansion of fabrication capabilities. Modern machine tools can generate complex three-dimensional structures with optical quality surface finish, and fabricate structures across a dynamic range of dimensions not achievable with lithographic techniques. In particular, five-axis free-form micromachining offers a great deal of promise for realization of essentially arbitrary surface structures, including surfaces not realizable through binary or analog lithographic techniques. Furthermore, these machines can generate geometric features with optical finish on scales ranging from centimeters to micrometers with accuracies of 10s of nanometers. In this paper, we discuss techniques and applications of free-form surface machining of micro-optical elements. Aspects of diamond machine tool design to realize desired surface geometries in specific materials are discussed. Examples are presented, including fabrication of aspheric lens arrays in germanium for compact infrared imaging systems. Using special custom kinematic mounting equipment and the additional axes of the machine, the lenses were turned with surface finish better than 2 nm RMS and center to center positioning accuracy of +/-0.5 μm.

Optimization of Neutral Atom Imagers

NASA Technical Reports Server (NTRS)

Shappirio, M.; Coplan, M.; Balsamo, E.; Chornay, D.; Collier, M.; Hughes, P.; Keller, J.; Ogilvie, K.; Williams, E.

2008-01-01

The interactions between plasma structures and neutral atom populations in interplanetary space can be effectively studied with energetic neutral atom imagers. For neutral atoms with energies less than 1 keV, the most efficient detection method that preserves direction and energy information is conversion to negative ions on surfaces. We have examined a variety of surface materials and conversion geometries in order to identify the factors that determine conversion efficiency. For chemically and physically stable surfaces smoothness is of primary importance while properties such as work function have no obvious correlation to conversion efficiency. For the noble metals, tungsten, silicon, and graphite with comparable smoothness, conversion efficiency varies by a factor of two to three. We have also examined the way in which surface conversion efficiency varies with the angle of incidence of the neutral atom and have found that the highest efficiencies are obtained at angles of incidence greater then 80deg. The conversion efficiency of silicon, tungsten and graphite were examined most closely and the energy dependent variation of conversion efficiency measured over a range of incident angles. We have also developed methods for micromachining silicon in order to reduce the volume to surface area over that of a single flat surface and have been able to reduce volume to surface area ratios by up to a factor of 60. With smooth micro-machined surfaces of the optimum geometry, conversion efficiencies can be increased by an order of magnitude over instruments like LENA on the IMAGE spacecraft without increase the instruments mass or volume.

Simulations of laminar boundary-layer flow encountering large-scale surface indentions

NASA Astrophysics Data System (ADS)

Beratlis, N.; Balaras, E.; Squires, K.; Vizard, A.

2016-03-01

The transition from laminar to turbulent flow over dimples and grooves has been investigated through a series of direct numerical simulations. Emphasis has been given to the mechanism of transition and the momentum transport in the post-dimple boundary layer. It has been found that the dimple geometry plays an important role in the evolution of the turbulent boundary layer downstream. The mechanism of transition in all cases is that of the reorientation of the spanwise vorticity into streamwise oriented structures resembling hairpin vortices commonly encountered in wall bounded turbulent flows. Although qualitatively the transition mechanism amongst the three different cases is similar, important quantitative differences exist. It was shown that two-dimensional geometries like a groove are more stable than three-dimensional geometries like a dimple. In addition, it was found that the cavity geometry controls the initial thickness of the boundary layer and practically results in a shift of the virtual origin of the turbulent boundary layer. Important differences in the momentum transport downstream of the dimples exist but in all cases the boundary layer grows in a self-similar manner.

Surface flaw reliability analysis of ceramic components with the SCARE finite element postprocessor program

NASA Technical Reports Server (NTRS)

Gyekenyesi, John P.; Nemeth, Noel N.

1987-01-01

The SCARE (Structural Ceramics Analysis and Reliability Evaluation) computer program on statistical fast fracture reliability analysis with quadratic elements for volume distributed imperfections is enhanced to include the use of linear finite elements and the capability of designing against concurrent surface flaw induced ceramic component failure. The SCARE code is presently coupled as a postprocessor to the MSC/NASTRAN general purpose, finite element analysis program. The improved version now includes the Weibull and Batdorf statistical failure theories for both surface and volume flaw based reliability analysis. The program uses the two-parameter Weibull fracture strength cumulative failure probability distribution model with the principle of independent action for poly-axial stress states, and Batdorf's shear-sensitive as well as shear-insensitive statistical theories. The shear-sensitive surface crack configurations include the Griffith crack and Griffith notch geometries, using the total critical coplanar strain energy release rate criterion to predict mixed-mode fracture. Weibull material parameters based on both surface and volume flaw induced fracture can also be calculated from modulus of rupture bar tests, using the least squares method with known specimen geometry and grouped fracture data. The statistical fast fracture theories for surface flaw induced failure, along with selected input and output formats and options, are summarized. An example problem to demonstrate various features of the program is included.

Surface sensitization mechanism on negative electron affinity p-GaN nanowires

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu; Lu, Feifei

2018-03-01

The surface sensitization is the key to prepare negative electron affinity photocathode. The thesis emphasizes on the study of surface sensitization mechanism of p-type doping GaN nanowires utilizing first principles based on density function theory. The adsorption energy, work function, dipole moment, geometry structure, electronic structure and optical properties of Mg-doped GaN nanowires surfaces with various coverages of Cs atoms are investigated. The GaN nanowire with Mg doped in core position is taken as the sensitization base. At the initial stage of sensitization, the best adsorption site for Cs atom on GaN nanowire surface is BN, the bridge site of two adjacent N atoms. Surface sensitization generates a p-type internal surface with an n-type surface state, introducing a band bending region which can help reduce surface barrier and work function. With increasing Cs coverage, work functions decrease monotonously and the "Cs-kill" phenomenon disappears. For Cs coverage of 0.75 ML and 1 ML, the corresponding sensitization systems reach negative electron affinity state. Through surface sensitization, the absorption curves are red shifted and the absorption coefficient is cut down. All theoretical calculations can guide the design of negative electron affinity Mg doped GaN nanowires photocathode.

Towards adaptive radiotherapy for head and neck patients: validation of an in-house deformable registration algorithm

NASA Astrophysics Data System (ADS)

Veiga, C.; McClelland, J.; Moinuddin, S.; Ricketts, K.; Modat, M.; Ourselin, S.; D'Souza, D.; Royle, G.

2014-03-01

The purpose of this work is to validate an in-house deformable image registration (DIR) algorithm for adaptive radiotherapy for head and neck patients. We aim to use the registrations to estimate the "dose of the day" and assess the need to replan. NiftyReg is an open-source implementation of the B-splines deformable registration algorithm, developed in our institution. We registered a planning CT to a CBCT acquired midway through treatment for 5 HN patients that required replanning. We investigated 16 different parameter settings that previously showed promising results. To assess the registrations, structures delineated in the CT were warped and compared with contours manually drawn by the same clinical expert on the CBCT. This structure set contained vertebral bodies and soft tissue. Dice similarity coefficient (DSC), overlap index (OI), centroid position and distance between structures' surfaces were calculated for every registration, and a set of parameters that produces good results for all datasets was found. We achieve a median value of 0.845 in DSC, 0.889 in OI, error smaller than 2 mm in centroid position and over 90% of the warped surface pixels are distanced less than 2 mm of the manually drawn ones. By using appropriate DIR parameters, we are able to register the planning geometry (pCT) to the daily geometry (CBCT).

Combination of photogrammetric and geoelectric methods to assess 3d structures associated to natural hazards

NASA Astrophysics Data System (ADS)

Fargier, Yannick; Dore, Ludovic; Antoine, Raphael; Palma Lopes, Sérgio; Fauchard, Cyrille

2016-04-01

The extraction of subsurface materials is a key element for the economy of a nation. However, natural degradation of underground quarries is a major issue from an economic and public safety point of view. Consequently, the quarries stakeholders require relevant tools to define hazards associated to these structures. Safety assessment methods of underground quarries are recent and mainly based on rock physical properties. This kind of method leads to a certain homogeneity assumption of pillar internal properties that can cause an underestimation of the risk. Electrical Resistivity Imaging (ERI) is a widely used method that possesses two advantages to overcome this limitation. The first is to provide a qualitative understanding for the detection and monitoring of anomalies in the pillar body (e.g. faults). The second is to provide a quantitative description of the electrical resistivity distribution inside the pillar. This quantitative description can be interpreted with constitutive laws to help decision support (water content decreases the mechanical resistance of a chalk). However, conventional 2D and 3D Imaging techniques are usually applied to flat surface surveys or to surfaces with moderate topography. A 3D inversion of more complex media (case of the pillar) requires a full consideration of the geometry that was never taken into account before. The Photogrammetric technique presents a cost effective solution to obtain an accurate description of the external geometry of a complex media. However, this method has never been fully coupled with a geophysical method to enhance/improve the inversion process. Consequently we developed a complete procedure showing that photogrammetric and ERI tools can be efficiently combined to assess a complex 3D structure. This procedure includes in a first part a photogrammetric survey, a processing stage with an open source software and a post-processing stage finalizing a 3D surface model. The second part necessitates the production of a complete 3D mesh of the previous surface model to operate some forward modelization of the geo-electrical problem. To solve the inverse problem and obtain a 3D resistivity distribution we use a double grid method associated with a regularized Gauss-Newton inversion scheme. We applied this procedure to a synthetic case to demonstrate the impact of the geometry on the inversion result. This study shows that geometrical information in between electrodes are necessary to reconstruct finely the "true model". Finally, we apply the methodology to a real underground quarry pillar, implying one photogrammetric survey and three ERI surveys. The results show that the procedure can greatly improve the reconstruction and avoid some artifacts due to strong geometry variations.

Along-strike thickness variations of décollement levels controlling lateral changes in fold-and-thrust belts: the Barbastro-Balaguer Anticline (Southern Pyrenees)

NASA Astrophysics Data System (ADS)

Santolaria, Pablo; Calvín, Pablo; Pueyo, Emilio L.; Soto, Ruth; Ayala, Concepción; Casas, Antonio; Oliván, Carlota; Luzón, Aránzazu

2017-04-01

The subsurface vertical and lateral distribution of two evaporitic levels (Middle-Upper Triassic and Eocene) is here studied to better understand their role as a controlling factor on the geometry and kinematics of the central part of the South Pyrenean deformation front. Field work with hundreds of bedding attitudes, 5 exploration boreholes (up to 5000 m deep), the residual Bouguer anomaly and the interpretation of 27 seismic reflection profiles (approximately 440 km of sections) crossing the different allochthonous units and the adjacent Ebro foreland basin have been analysed in this work. Subsoil information is crucial because part of the studied area is extensively covered by the Oligocene-Miocene molasse that prevents any direct observation of the structure underneath to be done. Interpreted key horizons and faults have been identified from the lithological description of partially reinterpreted lithological well data and surface geology. Lithological well data has been anchored to seismic profiles by means of sonic log data. Kingdom software has been used to perform the 2D interpretation of seismic reflection profiles, supported by 2.5D gravity modelling, in a georeferenced workspace and then, surfaces of key horizons and faults were built and assembled together in a 3D model. The studied area is characterized from north to south by several minor thrust sheets, detached on the Middle-Upper Triassic décollement, which represents the basal décollement of the Pyrenees. Some of them can be linked with the South Pyrenean Frontal Thrust (SPFT) and others have structural continuation towards the NW. The SPFT displays a N160E trend and its hanging wall progressively deepens towards the west. To the east, this structure locally crops out. On the other hand, the footwall geometry of the SPBT shows very distinct features; the western part (External Sierras sector) displays a single ramp with moderate-high angle (20-30°) while the eastern part (linking zone to the Marginal Ranges) depicts mainly a ramp-flat geometry. Southwards, on the autochthonous deformation zone, the Barbastro-Balaguer Anticline (BBA) structure, which core is constituted by Eocene evaporites, seems to mimic the geometry of the SPFT. It displays a lateral change, from east to west, in both its orientation (N110E to N160E) and geometry (anticline to backthrust structure) probably linked to an important lateral thickness variation (as deduce from the residual anomaly map) of the Eocene evaporites that display a significant accumulation in the east and thin drastically and even disappear to the west. There, its distal pinch out is interpreted to promote the nucleation of the BBA backthrust. The distribution of the Eocene evaporites in the subsurface and the lateral changes in thickness are suggested to be significant factors during the late stages of the emplacement of the SPFT and associated structures.

Influence of boundary conditions on the hydrodynamic forces of an oscillating sphere

NASA Astrophysics Data System (ADS)

Mirauda, Domenica; Negri, Marco; Martinelli, Luca; Malavasi, Stefano

2018-06-01

The design of submerged structures in sea currents presents certain problems that are not only connected to the shape of the obstacle but also to the number of acting forces as well as the correct modelling of the structures dynamic response. Currently, the common approach is that of integrated numerical modelling, which considers the contribution of both current and structure. The reliability of such an approach is better verified with experimental tests performed on models of simple geometry. On the basis of these considerations, the present work analyses the hydrodynamic forces acting on a sphere, which is characterised by a low mass ratio and damping. The sphere is immersed in a free surface flow and can oscillate along the streamwise and transverse flow direction. It is located at three different positions inside the current: close to the channel bottom, near the free surface and in the middle, and equally distant from both the bottom and free surface. The obtained results for different boundaries and flow kinematic conditions show a relevant influence of the free surface on the hydrodynamic forces along both the streamwise and transverse flow directions.

Experimental and Theoretical Approaches for the Surface Interaction between Copper and Activated Sludge Microorganisms at Molecular Scale

NASA Astrophysics Data System (ADS)

Luo, Hong-Wei; Chen, Jie-Jie; Sheng, Guo-Ping; Su, Ji-Hu; Wei, Shi-Qiang; Yu, Han-Qing

2014-11-01

Interactions between metals and activated sludge microorganisms substantially affect the speciation, immobilization, transport, and bioavailability of trace heavy metals in biological wastewater treatment plants. In this study, the interaction of Cu(II), a typical heavy metal, onto activated sludge microorganisms was studied in-depth using a multi-technique approach. The complexing structure of Cu(II) on microbial surface was revealed by X-ray absorption fine structure (XAFS) and electron paramagnetic resonance (EPR) analysis. EPR spectra indicated that Cu(II) was held in inner-sphere surface complexes of octahedral coordination with tetragonal distortion of axial elongation. XAFS analysis further suggested that the surface complexation between Cu(II) and microbial cells was the distorted inner-sphere coordinated octahedra containing four short equatorial bonds and two elongated axial bonds. To further validate the results obtained from the XAFS and EPR analysis, density functional theory calculations were carried out to explore the structural geometry of the Cu complexes. These results are useful to better understand the speciation, immobilization, transport, and bioavailability of metals in biological wastewater treatment plants.

The use of microtomography in structural geology: A new methodology to analyse fault faces

NASA Astrophysics Data System (ADS)

Jacques, Patricia D.; Nummer, Alexis Rosa; Heck, Richard J.; Machado, Rômulo

2014-09-01

This paper describes a new methodology to kinematically analyze faults in microscale dimensions (voxel size = 40 μm), using images obtained by X-ray computed microtomography (μCT). The equipment used is a GE MS8x-130 scanner. It was developed using rocks samples from Santa Catarina State, Brazil, and constructing micro Digital Elevation Models (μDEMs) for the fault surface, for analysing microscale brittle structures including striations, roughness and steps. Shaded relief images were created for the μDEMs, which enabled the generation of profiles to classify the secondary structures associated with the main fault surface. In the case of a sample with mineral growth that covers the fault surface, it is possible to detect the kinematic geometry even with the mineral cover. This technique proved to be useful for determining the sense of movement of faults, especially when it is not possible to determine striations in macro or microscopic analysis. When the sample has mineral deposit on the surface (mineral cover) this technique allows a relative chronology and geometric characterization between the faults with and without covering.

Structural dynamics of surfaces by ultrafast electron crystallography: experimental and multiple scattering theory.

PubMed

Schäfer, Sascha; Liang, Wenxi; Zewail, Ahmed H

2011-12-07

Recent studies in ultrafast electron crystallography (UEC) using a reflection diffraction geometry have enabled the investigation of a wide range of phenomena on the femtosecond and picosecond time scales. In all these studies, the analysis of the diffraction patterns and their temporal change after excitation was performed within the kinematical scattering theory. In this contribution, we address the question, to what extent dynamical scattering effects have to be included in order to obtain quantitative information about structural dynamics. We discuss different scattering regimes and provide diffraction maps that describe all essential features of scatterings and observables. The effects are quantified by dynamical scattering simulations and examined by direct comparison to the results of ultrafast electron diffraction experiments on an in situ prepared Ni(100) surface, for which structural dynamics can be well described by a two-temperature model. We also report calculations for graphite surfaces. The theoretical framework provided here allows for further UEC studies of surfaces especially at larger penetration depths and for those of heavy-atom materials. © 2011 American Institute of Physics

Effect of geometry variations on lee-surface vortex-induced heating for flat-bottom three-dimensional bodies at Mach 6

NASA Technical Reports Server (NTRS)

Hefner, J. N.

1973-01-01

Studies have shown that vortices can produce relatively severe heating on the leeward surfaces of conceptual hypersonic vehicles and that surface geometry can strongly influence this vortex-induced heating. Results which show the effects of systematic geometry variations on the vortex-induced lee-surface heating on simple flat-bottom three-dimensional bodies at angles of attack of 20 deg and 40 deg are presented. The tests were conducted at a free-stream Mach number of 6 and at a Reynolds number of 1.71 x 10 to the 7th power per meter.

Multi-Mode Cavity Accelerator Structure

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

Jiang, Yong; Hirshfield, Jay Leonard

2016-11-10

This project aimed to develop a prototype for a novel accelerator structure comprising coupled cavities that are tuned to support modes with harmonically-related eigenfrequencies, with the goal of reaching an acceleration gradient >200 MeV/m and a breakdown rate <10 -7/pulse/meter. Phase I involved computations, design, and preliminary engineering of a prototype multi-harmonic cavity accelerator structure; plus tests of a bimodal cavity. A computational procedure was used to design an optimized profile for a bimodal cavity with high shunt impedance and low surface fields to maximize the reduction in temperature rise ΔT. This cavity supports the TM010 mode and its 2ndmore » harmonic TM011 mode. Its fundamental frequency is at 12 GHz, to benchmark against the empirical criteria proposed within the worldwide High Gradient collaboration for X-band copper structures; namely, a surface electric field E sur max< 260 MV/m and pulsed surface heating ΔT max< 56 °K. With optimized geometry, amplitude and relative phase of the two modes, reductions are found in surface pulsed heating, modified Poynting vector, and total RF power—as compared with operation at the same acceleration gradient using only the fundamental mode.« less

Element sensitive reconstruction of nanostructured surfaces with finite elements and grazing incidence soft X-ray fluorescence.

PubMed

Soltwisch, Victor; Hönicke, Philipp; Kayser, Yves; Eilbracht, Janis; Probst, Jürgen; Scholze, Frank; Beckhoff, Burkhard

2018-03-29

The geometry of a Si3N4 lamellar grating was investigated experimentally with reference-free grazing-incidence X-ray fluorescence analysis. While simple layered systems are usually treated with the matrix formalism to determine the X-ray standing-wave field, this approach fails for laterally structured surfaces. Maxwell solvers based on finite elements are often used to model electrical field strengths for any 2D or 3D structures in the optical spectral range. We show that this approach can also be applied in the field of X-rays. The electrical field distribution obtained with the Maxwell solver can subsequently be used to calculate the fluorescence intensities in full analogy to the X-ray standing-wave field obtained by the matrix formalism. Only the effective 1D integration for the layer system has to be replaced by a 2D integration of the finite elements, taking into account the local excitation conditions. We will show that this approach is capable of reconstructing the geometric line shape of a structured surface with high elemental sensitivity. This combination of GIXRF and finite-element simulations paves the way for a versatile characterization of nanoscale-structured surfaces.

Theoretical study of cathode surfaces and high-temperature superconductors

NASA Technical Reports Server (NTRS)

Mueller, Wolfgang

1995-01-01

Calculations are presented for the work functions of BaO on W, Os, Pt, and alloys of Re-W, Os-W, and Ir-W that are in excellent agreement with experiment. The observed emission enhancement for alloy relative to tungsten dispenser cathodes is attributed to properties of the substrate crystal structure and explained by the smaller depolarization of the surface dipole on hexagonal as compared to cubic substrates. For Ba and BaO on W(100), the geometry of the adsorbates has been determined by a comparison of inverse photoemission spectra with calculated densities of unoccupied states based on the fully relativistic embedded cluster approach. Results are also discussed for models of scandate cathodes and the electronic structure of oxygen on W(100) at room and elevated temperatures. A detailed comparison is made for the surface electronic structure of the high-temperature superconductor YBa2Cu3O7 as obtained with non-, quasi-, and fully relativistic cluster calculations.

Curvature, metric and parametrization of origami tessellations: theory and application to the eggbox pattern.

PubMed

Nassar, H; Lebée, A; Monasse, L

2017-01-01

Origami tessellations are particular textured morphing shell structures. Their unique folding and unfolding mechanisms on a local scale aggregate and bring on large changes in shape, curvature and elongation on a global scale. The existence of these global deformation modes allows for origami tessellations to fit non-trivial surfaces thus inspiring applications across a wide range of domains including structural engineering, architectural design and aerospace engineering. The present paper suggests a homogenization-type two-scale asymptotic method which, combined with standard tools from differential geometry of surfaces, yields a macroscopic continuous characterization of the global deformation modes of origami tessellations and other similar periodic pin-jointed trusses. The outcome of the method is a set of nonlinear differential equations governing the parametrization, metric and curvature of surfaces that the initially discrete structure can fit. The theory is presented through a case study of a fairly generic example: the eggbox pattern. The proposed continuous model predicts correctly the existence of various fittings that are subsequently constructed and illustrated.

Curvature, metric and parametrization of origami tessellations: theory and application to the eggbox pattern

NASA Astrophysics Data System (ADS)

Nassar, H.; Lebée, A.; Monasse, L.

2017-01-01

Origami tessellations are particular textured morphing shell structures. Their unique folding and unfolding mechanisms on a local scale aggregate and bring on large changes in shape, curvature and elongation on a global scale. The existence of these global deformation modes allows for origami tessellations to fit non-trivial surfaces thus inspiring applications across a wide range of domains including structural engineering, architectural design and aerospace engineering. The present paper suggests a homogenization-type two-scale asymptotic method which, combined with standard tools from differential geometry of surfaces, yields a macroscopic continuous characterization of the global deformation modes of origami tessellations and other similar periodic pin-jointed trusses. The outcome of the method is a set of nonlinear differential equations governing the parametrization, metric and curvature of surfaces that the initially discrete structure can fit. The theory is presented through a case study of a fairly generic example: the eggbox pattern. The proposed continuous model predicts correctly the existence of various fittings that are subsequently constructed and illustrated.

Adaptive Modeling, Engineering Analysis and Design of Advanced Aerospace Vehicles

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek; Hsu, Su-Yuen; Mason, Brian H.; Hicks, Mike D.; Jones, William T.; Sleight, David W.; Chun, Julio; Spangler, Jan L.; Kamhawi, Hilmi; Dahl, Jorgen L.

2006-01-01

This paper describes initial progress towards the development and enhancement of a set of software tools for rapid adaptive modeling, and conceptual design of advanced aerospace vehicle concepts. With demanding structural and aerodynamic performance requirements, these high fidelity geometry based modeling tools are essential for rapid and accurate engineering analysis at the early concept development stage. This adaptive modeling tool was used for generating vehicle parametric geometry, outer mold line and detailed internal structural layout of wing, fuselage, skin, spars, ribs, control surfaces, frames, bulkheads, floors, etc., that facilitated rapid finite element analysis, sizing study and weight optimization. The high quality outer mold line enabled rapid aerodynamic analysis in order to provide reliable design data at critical flight conditions. Example application for structural design of a conventional aircraft and a high altitude long endurance vehicle configuration are presented. This work was performed under the Conceptual Design Shop sub-project within the Efficient Aerodynamic Shape and Integration project, under the former Vehicle Systems Program. The project objective was to design and assess unconventional atmospheric vehicle concepts efficiently and confidently. The implementation may also dramatically facilitate physics-based systems analysis for the NASA Fundamental Aeronautics Mission. In addition to providing technology for design and development of unconventional aircraft, the techniques for generation of accurate geometry and internal sub-structure and the automated interface with the high fidelity analysis codes could also be applied towards the design of vehicles for the NASA Exploration and Space Science Mission projects.

Endotoxin-Induced Structural Transformations in Liquid Crystalline Droplets

NASA Astrophysics Data System (ADS)

Lin, I.-Hsin; Miller, Daniel S.; Bertics, Paul J.; Murphy, Christopher J.; de Pablo, Juan J.; Abbott, Nicholas L.

2011-06-01

The ordering of liquid crystals (LCs) is known to be influenced by surfaces and contaminants. Here, we report that picogram per milliliter concentrations of endotoxin in water trigger ordering transitions in micrometer-size LC droplets. The ordering transitions, which occur at surface concentrations of endotoxin that are less than 10-5 Langmuir, are not due to adsorbate-induced changes in the interfacial energy of the LC. The sensitivity of the LC to endotoxin was measured to change by six orders of magnitude with the geometry of the LC (droplet versus slab), supporting the hypothesis that interactions of endotoxin with topological defects in the LC mediate the response of the droplets. The LC ordering transitions depend strongly on glycophospholipid structure and provide new designs for responsive soft matter.

Pool boiling of water on nano-structured micro wires at sub-atmospheric conditions

NASA Astrophysics Data System (ADS)

Arya, Mahendra; Khandekar, Sameer; Pratap, Dheeraj; Ramakrishna, S. Anantha

2016-09-01

Past decades have seen active research in enhancement of boiling heat transfer by surface modifications. Favorable surface modifications are expected to enhance boiling efficiency. Several interrelated mechanisms such as capillarity, surface energy alteration, wettability, cavity geometry, wetting transitions, geometrical features of surface morphology, etc., are responsible for change in the boiling behavior of modified surfaces. Not much work is available on pool boiling at low pressures on microscale/nanoscale geometries; low pressure boiling is attractive in many applications wherein low operating temperatures are desired for a particular working fluid. In this background, an experimental setup was designed and developed to investigate the pool boiling performance of water on (a) plain aluminum micro wire (99.999 % pure) and, (b) nano-porous alumina structured aluminum micro wire, both having diameter of 250 µm, under sub-atmospheric pressure. Nano-structuring on the plain wire surface was achieved via anodization. Two samples, A and B of anodized wires, differing by the degree of anodization were tested. The heater length scale (wire diameter) was much smaller than the capillary length scale. Pool boiling characteristics of water were investigated at three different sub-atmospheric pressures of 73, 123 and 199 mbar (corresponding to T sat = 40, 50 and 60 °C). First, the boiling characteristics of plain wire were measured. It was noticed that at sub-atmospheric pressures, boiling heat transfer performance for plain wire was quite low due to the increased bubble sizes and low nucleation site density. Subsequently, boiling performance of nano-structured wires (both Sample A and Sample B) was compared with plain wire and it was noted that boiling heat transfer for the former was considerably enhanced as compared to the plain wire. This enhancement is attributed to increased nucleation site density, change in wettability and possibly due to enhanced pore scale evaporation. A preliminary estimation of the bubble growth rates, measured by high speed videography, was undertaken and compared with classical bubble growth rate correlations. It was observed that the average bubble departure sizes on Sample B were larger as compared to plain wire, due to larger surface forces holding the bubble before departure. Bubble condensation in the thermal boundary layer was also captured.

Complex Rayleigh Waves Produced by Shallow Sedimentary Basins and their Potential Effects on Mid-Rise Buildings

NASA Astrophysics Data System (ADS)

Kohler, M. D.; Castillo, J.; Massari, A.; Clayton, R. W.

2017-12-01

Earthquake-induced motions recorded by spatially dense seismic arrays in buildings located in the northern Los Angeles basin suggest the presence of complex, amplified surface wave effects on the seismic demand of mid-rise buildings. Several moderate earthquakes produced large-amplitude, seismic energy with slow shear-wave velocities that cannot be explained or accurately modeled by any published 3D seismic velocity models or by Vs30 values. Numerical experiments are conducted to determine if sedimentary basin features are responsible for these rarely modeled and poorly documented contributions to seismic demand computations. This is accomplished through a physics-based wave propagation examination of the effects of different sedimentary basin geometries on the nonlinear response of a mid-rise structural model based on an existing, instrumented building. Using two-dimensional finite-difference predictive modeling, we show that when an earthquake focal depth is near the vertical edge of an elongated and relatively shallow sedimentary basin, dramatically amplified and complex surface waves are generated as a result of the waveguide effect introduced by this velocity structure. In addition, for certain source-receiver distances and basin geometries, body waves convert to secondary Rayleigh waves that propagate both at the free-surface interface and along the depth interface of the basin that show up as multiple large-amplitude arrivals. This study is motivated by observations from the spatially dense, high-sample-rate acceleration data recorded by the Community Seismic Network, a community-hosted strong-motion network, currently consisting of hundreds of sensors located in the southern California area. The results provide quantitative insight into the causative relationship between a sedimentary basin shape and the generation of Rayleigh waves at depth, surface waves at the free surface, scattered seismic energy, and the sensitivity of building responses to each of these.

Development and Validation of a Hypersonic Vehicle Design Tool Based On Waverider Design Technique

NASA Astrophysics Data System (ADS)

Dasque, Nastassja

Methodologies for a tool capable of assisting design initiatives for practical waverider based hypersonic vehicles were developed and validated. The design space for vehicle surfaces was formed using an algorithm that coupled directional derivatives with the conservation laws to determine a flow field defined by a set of post-shock streamlines. The design space is used to construct an ideal waverider with a sharp leading edge. A blunting method was developed to modify the ideal shapes to a more practical geometry for real-world application. Empirical and analytical relations were then systematically applied to the resulting geometries to determine local pressure, skin-friction and heat flux. For the ideal portion of the geometry, flat plate relations for compressible flow were applied. For the blunted portion of the geometry modified Newtonian theory, Fay-Riddell theory and Modified Reynolds analogy were applied. The design and analysis methods were validated using analytical solutions as well as empirical and numerical data. The streamline solution for the flow field generation technique was compared with a Taylor-Maccoll solution and showed very good agreement. The relationship between the local Stanton number and skin friction coefficient with local Reynolds number along the ideal portion of the body showed good agreement with experimental data. In addition, an automated grid generation routine was formulated to construct a structured mesh around resulting geometries in preparation for Computational Fluid Dynamics analysis. The overall analysis of the waverider body using the tool was then compared to CFD studies. The CFD flow field showed very good agreement with the design space. However, the distribution of the surface properties was near CFD results but did not have great agreement.

3-Dimensional Geologic Modeling Applied to the Structural Characterization of Geothermal Systems: Astor Pass, Nevada, USA

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

Siler, Drew L; Faulds, James E; Mayhew, Brett

2013-04-16

Geothermal systems in the Great Basin, USA, are controlled by a variety of fault intersection and fault interaction areas. Understanding the specific geometry of the structures most conducive to broad-scale geothermal circulation is crucial to both the mitigation of the costs of geothermal exploration (especially drilling) and to the identification of geothermal systems that have no surface expression (blind systems). 3-dimensional geologic modeling is a tool that can elucidate the specific stratigraphic intervals and structural geometries that host geothermal reservoirs. Astor Pass, NV USA lies just beyond the northern extent of the dextral Pyramid Lake fault zone near the boundarymore » between two distinct structural domains, the Walker Lane and the Basin and Range, and exhibits characteristics of each setting. Both northwest-striking, left-stepping dextral faults of the Walker Lane and kinematically linked northerly striking normal faults associated with the Basin and Range are present. Previous studies at Astor Pass identified a blind geothermal system controlled by the intersection of west-northwest and north-northwest striking dextral-normal faults. Wells drilled into the southwestern quadrant of the fault intersection yielded 94°C fluids, with geothermometers suggesting a maximum reservoir temperature of 130°C. A 3-dimensional model was constructed based on detailed geologic maps and cross-sections, 2-dimensional seismic data, and petrologic analysis of the cuttings from three wells in order to further constrain the structural setting. The model reveals the specific geometry of the fault interaction area at a level of detail beyond what geologic maps and cross-sections can provide.« less

Modifying the anti-wetting property of butterfly wings and water strider legs by atomic layer deposition coating: surface materials versus geometry.

PubMed

Ding, Yong; Xu, Sheng; Zhang, Yue; Wang, Aurelia C; Wang, Melissa H; Xiu, Yonghao; Wong, Ching Ping; Wang, Zhong Lin

2008-09-03

Although butterfly wings and water strider legs have an anti-wetting property, their working conditions are quite different. Water striders, for example, live in a wet environment and their legs need to support their weight and bear the high pressure during motion. In this work, we have focused on the importance of the surface geometrical structures in determining their performance. We have applied an atomic layer deposition technique to coat the surfaces of both butterfly wings and water strider legs with a uniform 30 nm thick hydrophilic Al(2)O(3) film. By keeping the surface material the same, we have studied the effect of different surface roughness/structure on their hydrophobic property. After the surface coating, the butterfly wings changed to become hydrophilic, while the water strider legs still remained super-hydrophobic. We suggest that the super-hydrophobic property of the water strider is due to the special shape of the long inclining spindly cone-shaped setae at the surface. The roughness in the surface can enhance the natural tendency to be hydrophobic or hydrophilic, while the roughness in the normal direction of the surface is favorable for forming a composite interface.

Lateral variations in foreland flexure of a rifted continental margin: The Aquitaine Basin (SW France)

NASA Astrophysics Data System (ADS)

Angrand, P.; Ford, M.; Watts, A. B.

2017-12-01

We study the effects of the inherited Aptian to Cenomanian rift on crustal rheology and evolution of the Late Cretaceous to Neogene flexural Aquitaine foreland basin, northern Pyrenees. We use surface and subsurface geological data to define the crustal geometry and the post-rift thermal subsidence, and Bouguer gravity anomalies and flexural modeling to study the lateral variation of the elastic thickness, flexure of the European plate and controlling loads. The Aquitaine foreland can be divided along-strike into three sectors. The eastern foreland is un-rifted and is associated with a simple flexural subsidence. The central sector is affected by crustal stretching and the observed foreland base is modeled by combining topographic and buried loads, with post-rift thermal subsidence. In the western sector the foreland basin geometry is mainly controlled by post-rift thermal subsidence. These three sectors are separated by major lineaments, which affect both crustal and foreland geometry. These lineaments seem to be part of a larger structural pattern that includes the Toulouse and Pamplona Faults. The European foreland shows lateral variations in flexural behavior: the relative role of surface and sub-surface (i.e., buried) loading varies along-strike and the elastic thickness values decrease from the north-east to the south-west where the plate is the most stretched. We suggest that foreland basins are influenced by the thermal state of the underlying lithosphere if it was initiated soon after rifting and that thermal cooling can contribute significantly to subsidence.

Structure and electronic properties of Cu nanoclusters supported on Mo 2C(001) and MoC(001) surfaces

DOE PAGES

Posada-Pérez, Sergio; Viñes, Francesc; Rodríguez, José A.; ...

2015-09-15

In this study, the atomic structure and electronic properties of Cu n nanoclusters (n = 4, 6, 7, and 10) supported on cubic nonpolar δ-MoC(001) and orthorhombic C- or Mo-terminated polar β-Mo 2C(001) surfaces have been investigated by means of periodic density functional theory based calculations. The electronic properties have been analyzed by means of the density of states, Bader charges, and electron localization function plots. The Cu nanoparticles supported on β-Mo 2C(001), either Mo- or C-terminated, tend to present a two-dimensional structure whereas a three-dimensional geometry is preferred when supported on δ-MoC(001), indicating that the Mo:C ratio and themore » surface polarity play a key role determining the structure of supported clusters. Nevertheless, calculations also reveal important differences between the C- and Mo-terminated β-Mo 2C(001) supports to the point that supported Cu particles exhibit different charge states, which opens a way to control the reactivity of these potential catalysts.« less

Ground and excited states of vanadium hydroxide isomers and their cations, VOH0,+ and HVO0,+

NASA Astrophysics Data System (ADS)

Miliordos, Evangelos; Harrison, James F.; Hunt, Katharine L. C.

2013-03-01

Employing correlation consistent basis sets of quadruple-zeta quality and applying both multireference configuration interaction and single-reference coupled cluster methodologies, we studied the electronic and geometrical structure of the [V,O,H]0,+ species. The electronic structure of HVO0,+ is explained by considering a hydrogen atom approaching VO0,+, while VOH0,+ molecules are viewed in terms of the interaction of V+,2+ with OH-. The potential energy curves for H-VO0,+ and V0,+-OH have been constructed as functions of the distance between the interacting subunits, and the potential energy curves have also been determined as functions of the H-V-O angle. For the stationary points that we have located, we report energies, geometries, harmonic frequencies, and dipole moments. We find that the most stable bent HVO0,+ structure is lower in energy than any of the linear HVO0,+ structures. Similarly, the most stable state of bent VOH is lower in energy than the linear structures, but linear VOH+ is lower in energy than bent VOH+. The global minimum on the potential energy surface for the neutral species is the tilde{X}^3A″ state of bent HVO, although the tilde{X}^5A″ state of bent VOH is less than 5 kcal/mol higher in energy. The global minimum on the potential surface for the cation is the tilde{X}^4Σ ^- state of linear VOH+, with bent VOH+ and bent HVO+ both more than 10 kcal/mol higher in energy. For the neutral species, the bent geometries exhibit significantly higher dipole moments than the linear structures.

Ringin' the water bell: dynamic modes of curved fluid sheets

NASA Astrophysics Data System (ADS)

Kolinski, John; Aharoni, Hillel; Fineberg, Jay; Sharon, Eran

2015-11-01

A water bell is formed by fluid flowing in a thin, coherent sheet in the shape of a bell. Experimentally, a water bell is created via the impact of a cylindrical jet on a flat surface. Its shape is set by the splash angle (the separation angle) of the resulting cylindrically symmetric water sheet. The separation angle is altered by adjusting the height of a lip surrounding the impact point, as in a water sprinkler. We drive the lip's height sinusoidally, altering the separation angle, and ringin' the water bell. This forcing generates disturbances on the steady-state water bell that propagate forward and backward in the fluid's reference frame at well-defined velocities, and interact, resulting in the emergence of an interference pattern unique to each steady-state geometry. We analytically model these dynamics by linearizing the amplitude of the bell's response about the underlying curved geometry. This simple model predicts the nodal structure over a wide range of steady-state water bell configurations and driving frequencies. Due to the curved water bell geometry, the nodal structure is quite complex; nevertheless, the predicted nodal structure agrees extremely well with the experimental data. When we drive the bell beyond perturbative separation angles, the nodal locations surprisingly persist, despite the strikingly altered underlying water bell shape. At extreme driving amplitudes the water sheet assumes a rich variety of tortuous, non-convex shapes; nevertheless, the fluid sheet remains intact.

Femtosecond laser irradiation on Nd:YAG crystal: Surface ablation and high-spatial-frequency nanograting

NASA Astrophysics Data System (ADS)

Ren, Yingying; Zhang, Limu; Romero, Carolina; Vázquez de Aldana, Javier R.; Chen, Feng

2018-05-01

In this work, we systematically study the surface modifications of femtosecond (fs) laser irradiated Nd:YAG crystal in stationary focusing case (i.e., the beam focused on the target in the steady focusing geometry) or dynamic scanning case (i.e., focused fs-laser beam scanning over the target material). Micro-sized structures (e.g. micro-craters or lines) are experimentally produced in a large scale of parameters in terms of pulse energy as well as (effective) pulse number. Surface ablation of Nd:YAG surface under both processing cases are investigated, involving the morphological evolution, parameter dependence, the ablation threshold fluences and the incubation factors. Meanwhile, under specific irradiation conditions, periodic surface structures with high-spatial-frequency (<λ/2) can be generated. The obtained period is as short as 157 nm in this work. Investigations on the evolution of nanograting formation and fluence dependence of period are performed. The experimental results obtained under different cases and the comparison between them reveal that incubation effect plays an important role not only in the ablation of Nd:YAG surface but also in the processes of nanograting formation.

Electrospray deposition of organic molecules on bulk insulator surfaces.

PubMed

Hinaut, Antoine; Pawlak, Rémy; Meyer, Ernst; Glatzel, Thilo

2015-01-01

Large organic molecules are of important interest for organic-based devices such as hybrid photovoltaics or molecular electronics. Knowing their adsorption geometries and electronic structures allows to design and predict macroscopic device properties. Fundamental investigations in ultra-high vacuum (UHV) are thus mandatory to analyze and engineer processes in this prospects. With increasing size, complexity or chemical reactivity, depositing molecules by thermal evaporation becomes challenging. A recent way to deposit molecules in clean conditions is Electrospray Ionization (ESI). ESI keeps the possibility to work with large molecules, to introduce them in vacuum, and to deposit them on a large variety of surfaces. Here, ESI has been successfully applied to deposit triply fused porphyrin molecules on an insulating KBr(001) surface in UHV environment. Different deposition coverages have been obtained and characterization of the surface by in-situ atomic force microscopy working in the non-contact mode shows details of the molecular structures adsorbed on the surface. We show that UHV-ESI, can be performed on insulating surfaces in the sub-monolayer regime and to single molecules which opens the possibility to study a variety of complex molecules.

Fractal Dimension Analysis of Subcortical Gray Matter Structures in Schizophrenia

PubMed Central

Sehatpour, Pejman; Long, Jun; Gui, Weihua; Qiao, Jianping; Javitt, Daniel C.; Wang, Zhishun

2016-01-01

A failure of adaptive inference—misinterpreting available sensory information for appropriate perception and action—is at the heart of clinical manifestations of schizophrenia, implicating key subcortical structures in the brain including the hippocampus. We used high-resolution, three-dimensional (3D) fractal geometry analysis to study subtle and potentially biologically relevant structural alterations (in the geometry of protrusions, gyri and indentations, sulci) in subcortical gray matter (GM) in patients with schizophrenia relative to healthy individuals. In particular, we focus on utilizing Fractal Dimension (FD), a compact shape descriptor that can be computed using inputs with irregular (i.e., not necessarily smooth) surfaces in order to quantify complexity (of geometrical properties and configurations of structures across spatial scales) of subcortical GM in this disorder. Probabilistic (entropy-based) information FD was computed based on the box-counting approach for each of the seven subcortical structures, bilaterally, as well as the brainstem from high-resolution magnetic resonance (MR) images in chronic patients with schizophrenia (n = 19) and age-matched healthy controls (n = 19) (age ranges: patients, 22.7–54.3 and healthy controls, 24.9–51.6 years old). We found a significant reduction of FD in the left hippocampus (median: 2.1460, range: 2.07–2.18 vs. median: 2.1730, range: 2.15–2.23, p<0.001; Cohen’s effect size, U3 = 0.8158 (95% Confidence Intervals, CIs: 0.6316, 1.0)), the right hippocampus (median: 2.1430, range: 2.05–2.19 vs. median: 2.1760, range: 2.12–2.21, p = 0.004; U3 = 0.8421 (CIs: 0.5263, 1)), as well as left thalamus (median: 2.4230, range: 2.40–2.44, p = 0.005; U3 = 0.7895 (CIs: 0.5789, 0.9473)) in schizophrenia patients, relative to healthy individuals. Our findings provide in-vivo quantitative evidence for reduced surface complexity of hippocampus, with reduced FD indicating a less complex, less regular GM surface detected in schizophrenia. PMID:27176232

Surface Roughness Measurement on a Wing Aircraft by Speckle Correlation

PubMed Central

Salazar, Félix; Barrientos, Alberto

2013-01-01

The study of the damage of aeronautical materials is important because it may change the microscopic surface structure profiles. The modification of geometrical surface properties can cause small instabilities and then a displacement of the boundary layer. One of the irregularities we can often find is surface roughness. Due to an increase of roughness and other effects, there may be extra momentum losses in the boundary layer and a modification in the parasite drag. In this paper we present a speckle method for measuring the surface roughness on an actual unmanned aircraft wing. The results show an inhomogeneous roughness distribution on the wing, as expected according to the anisotropic influence of the winds over the entire wing geometry. A calculation of the uncertainty of the technique is given. PMID:24013488

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

NASA Astrophysics Data System (ADS)

López-Moreno, S.; Romero, A. H.

2015-04-01

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

Surface roughness measurement on a wing aircraft by speckle correlation.

PubMed

Salazar, Félix; Barrientos, Alberto

2013-09-05

The study of the damage of aeronautical materials is important because it may change the microscopic surface structure profiles. The modification of geometrical surface properties can cause small instabilities and then a displacement of the boundary layer. One of the irregularities we can often find is surface roughness. Due to an increase of roughness and other effects, there may be extra momentum losses in the boundary layer and a modification in the parasite drag. In this paper we present a speckle method for measuring the surface roughness on an actual unmanned aircraft wing. The results show an inhomogeneous roughness distribution on the wing, as expected according to the anisotropic influence of the winds over the entire wing geometry. A calculation of the uncertainty of the technique is given.

Influence on surface characteristics of electron beam melting process (EBM) by varying the process parameters

NASA Astrophysics Data System (ADS)

Dolimont, Adrien; Michotte, Sebastien; Rivière-Lorphèvre, Edouard; Ducobu, François; Vivès, Solange; Godet, Stéphane; Henkes, Tom; Filippi, Enrico

2017-10-01

The use of additive manufacturing processes keeps growing in aerospace and biomedical industry. Among the numerous existing technologies, the Electron Beam Melting process has advantages (good dimensional accuracy, fully dense parts) and disadvantages (powder handling, support structure, high surface roughness). Analyzes of the surface characteristics are interesting to get a better understanding of the EBM operations. But that kind of analyzes is not often found in the literature. The main goal of this study is to determine if it is possible to improve the surface roughness by modifying some parameters of the process (scan speed function, number of contours, order of contours, etc.) on samples with different thicknesses. The experimental work on the surface roughness leads to a statistical analysis of 586 measures of EBM simple geometry parts.

Sputtering of rough surfaces: a 3D simulation study

NASA Astrophysics Data System (ADS)

von Toussaint, U.; Mutzke, A.; Manhard, A.

2017-12-01

The lifetime of plasma-facing components is critical for future magnetic confinement fusion power plants. A key process limiting the lifetime of the first-wall is sputtering by energetic ions. To provide a consistent modeling of the sputtering process of realistic geometries, the SDTrimSP-code has been extended to enable the processing of analytic as well as measured arbitrary 3D surface morphologies. The code has been applied to study the effect of varying the impact angle of ions on rough surfaces on the sputter yield as well as the influence of the aspect ratio of surface structures on the 2D distribution of the local sputtering yields. Depending on the surface morphologies reductions of the effective sputter yields to less than 25% have been observed in the simulation results.

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni.

PubMed

López-Moreno, S; Romero, A H

2015-04-21

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

Crystal structure and optical properties of silver nanorings

NASA Astrophysics Data System (ADS)

Zhou, Li; Fu, Xiao-Feng; Yu, Liao; Zhang, Xian; Yu, Xue-Feng; Hao, Zhong-Hua

2009-04-01

We report the polyol synthesis and crystal structure characterization of silver nanorings, which have perfect circular shape, smooth surface, and elliptical wire cross-section. The characterization results show that the silver nanorings have well-defined crystal of singly twinned along the whole ring. The spatial distribution of the scattering of a silver nanoring with slanted incidence reveals the unique focus effect of the nanoring, and the focus scattering varies with the incident wavelength. The silver nanorings with perfect geometry and well-defined crystal have potential applications in nanoscaled photonics, plasmonic devices, and optical manipulation.

Manufacturing of mushroom-shaped structures and its hydrophobic robustness analysis based on energy minimization approach

NASA Astrophysics Data System (ADS)

Wang, Li; Yang, Xiaonan; Wang, Quandai; Yang, Zhiqiang; Duan, Hui; Lu, Bingheng

2017-07-01

The construction of stable hydrophobic surfaces has increasingly gained attention owing to its wide range of potential applications. However, these surfaces may become wet and lose their slip effect owing to insufficient hydrophobic stability. Pillars with a mushroom-shaped tip are believed to enhance hydrophobicity stability. This work presents a facile method of manufacturing mushroom-shaped structures, where, compared with the previously used method, the modulation of the cap thickness, cap diameter, and stem height of the structures is more convenient. The effects of the development time on the cap diameter and overhanging angle are investigated and well-defined mushroom-shaped structures are demonstrated. The effect of the microstructure geometry on the contact state of a droplet is predicted by taking an energy minimization approach and is experimentally validated with nonvolatile ultraviolet-curable polymer with a low surface tension by inspecting the profiles of liquid-vapor interface deformation and tracking the trace of the receding contact line after exposure to ultraviolet light. Theoretical and experimental results show that, compared with regular pillar arrays having a vertical sidewall, the mushroom-like structures can effectively enhance hydrophobic stability. The proposed manufacturing method will be useful for fabricating robust hydrophobic surfaces in a cost-effective and convenient manner.

Optimisation of the geometry of the drill bit and process parameters for cutting hybrid composite/metal structures in new aircrafts

NASA Astrophysics Data System (ADS)

Isbilir, Ozden

Owing to their desirable strength-to-weight characteristics, carbon fibre reinforced polymer composites have been favourite materials for structural applications in different industries such as aerospace, transport, sports and energy. They provide a weight reduction in whole structure and consequently decrease fuel consumption. The use of lightweight materials such as titanium and its alloys in modern aircrafts has also increased significantly in the last couple of decades. Titanium and its alloys offer high strength/weight ratio, high compressive and tensile strength at high temperatures, low density, excellent corrosion resistance, exceptional erosion resistance, superior fatigue resistance and relatively low modulus of elasticity. Although composite/metal hybrid structures are increasingly used in airframes nowadays, number of studies regarding drilling of composite/metal stacks is very limited. During drilling of multilayer materials different problems may arise due to very different attributes of these materials. Machining conditions of drilling such structures play an important role on tool wear, quality of holes and cost of machining.. The research work in this thesis is aimed to investigate drilling of CFRP/Ti6Al4V hybrid structure and to optimize process parameters and drill geometry. The research work consist complete experimental study including drilling tests, in-situ and post measurements and related analysis; and finite element analysis including fully 3-D finite element models. The experimental investigations focused on drilling outputs such as thrust force, torque, delamination, burr formation, surface roughness and tool wear. An algorithm was developed to analyse drilling induced delamination quantitatively based on the images. In the numerical analysis, novel 3-D finite element models of drilling of CFRP, Ti6Al4V and CFRP/Ti6Al4V hybrid structure were developed with the use of 3-D complex drill geometries. A user defined subroutine was developed to model material and failure behaviour of CFRP. The effects of process parameters on drilling outputs have been investigated and compared with the experimental results. The influences of drill bit geometries have been simulated in this study..

Patterning of ultrathin polymethylmethacrylate films by in-situ photodirecting of the Marangoni flow

NASA Astrophysics Data System (ADS)

Elashnikov, Roman; Fitl, Premysl; Svorcik, Vaclav; Lyutakov, Oleksiy

2017-02-01

Laser heating and Marangoni flow result in the formation of surface structures with different geometries and shape on thin polymer films. By laser beam irradiation combined with a sample movement the solid polymethylmethacrylate (PMMA) films are heated and undergo phase transition which leads to a material flow. Since the laser beam has a non-linear distribution of energy, the PMMA film is heated inhomogeneously and a surface tension gradient in a lateral direction is introduced. During this procedure additional phenomena such as "reversible" or cyclic polymer flow also take place. The careful choice of experimental conditions enables the preparation of patterns with sophisticated geometries and with hierarchical pattern organization. Depending on initial PMMA film thickness and speed of the sample movement line arrays are created, which can subsequently be transformed into the crimped lines or system of circular holes. In addition, the introduction of a constant acceleration in the sample movement or a laser beam distortion enables the preparation of regularly crimped lines, ordered hexagonal holes or overlapped plates.

Generating Neuron Geometries for Detailed Three-Dimensional Simulations Using AnaMorph.

PubMed

Mörschel, Konstantin; Breit, Markus; Queisser, Gillian

2017-07-01

Generating realistic and complex computational domains for numerical simulations is often a challenging task. In neuroscientific research, more and more one-dimensional morphology data is becoming publicly available through databases. This data, however, only contains point and diameter information not suitable for detailed three-dimensional simulations. In this paper, we present a novel framework, AnaMorph, that automatically generates water-tight surface meshes from one-dimensional point-diameter files. These surface triangulations can be used to simulate the electrical and biochemical behavior of the underlying cell. In addition to morphology generation, AnaMorph also performs quality control of the semi-automatically reconstructed cells coming from anatomical reconstructions. This toolset allows an extension from the classical dimension-reduced modeling and simulation of cellular processes to a full three-dimensional and morphology-including method, leading to novel structure-function interplay studies in the medical field. The developed numerical methods can further be employed in other areas where complex geometries are an essential component of numerical simulations.

Modelling the role of surface stress on the kinetics of tissue growth in confined geometries.

PubMed

Gamsjäger, E; Bidan, C M; Fischer, F D; Fratzl, P; Dunlop, J W C

2013-03-01

In a previous paper we presented a theoretical framework to describe tissue growth in confined geometries based on the work of Ambrosi and Guillou [Ambrosi D, Guillou A. Growth and dissipation in biological tissues. Cont Mech Thermodyn 2007;19:245-51]. A thermodynamically consistent eigenstrain rate for growth was derived using the concept of configurational forces and used to investigate growth in holes of cylindrical geometries. Tissue growing from concave surfaces can be described by a model based on this theory. However, an apparently asymmetric behaviour between growth from convex and concave surfaces has been observed experimentally, but is not predicted by this model. This contradiction is likely to be due to the presence of contractile tensile stresses produced by cells near the tissue surface. In this contribution we extend the model in order to couple tissue growth to the presence of a surface stress. This refined growth model is solved for two geometries, within a cylindrical hole and on the outer surface of a cylinder, thus demonstrating how surface stress may indeed inhibit growth on convex substrates. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The structural and electronic properties of metal atoms adsorbed on graphene

NASA Astrophysics Data System (ADS)

Liu, Wenjiang; Zhang, Cheng; Deng, Mingsen; Cai, Shaohong

2017-09-01

Based on density functional theory (DFT), we studied the structural and electronic properties of seven different metal atoms adsorbed on graphene (M + graphene). The geometries, adsorption energies, density of states (DOS), band structures, electronic dipole moment, magnetic moment and work function (WF) of M + graphene were calculated. The adsorption energies ΔE indicated that Li, Na, K, Ca and Fe adsorbed on graphene were tending to form stable structures. However, diffusion would occur on Cu and Ag adsorbed on graphene. In addition, the electronic structure near the Fermi level of graphene was significantly affected by Fe (Cu and Ag), compared with Li (Na, K and Ca). The electronic dipole moment and magnetic moment of M + graphene were sensitive to the adsorbed metal atoms. Moreover, we found electropositive (electronegative) adsorption can decrease (increase) the WF of the surface. Specially, the WF of Ag + graphene and Fe + graphene would increase because surface dipole moment make a contribution to electron.

Potential energy surface of cyclooctatetraene

NASA Astrophysics Data System (ADS)

Andrés, José L.; Castaño, Obis; Morreale, Antonio; Palmeiro, Raul; Gomperts, Roberto

1998-01-01

We present a theoretical study of the cyclooctatetraene (COT) molecule. Seven COT structures are located on the singlet ground state potential energy surface. Four of them, which present D2d (tub), Cs (bicyclo[4.2.0]octa-2,4,7-triene or BOT), C2h (chair) and D4 (crown) symmetries are stable species, and the other three are transition state structures showing Cs, D4h, and D8h symmetry. We discuss the symmetry of wave functions for these stationary points. Geometries, energies, and harmonic vibrational frequencies of these structures, and energy gaps between singlet-triplet states and low-lying singlets are presented. For the planar D4h and D8h structures, Jahn-Teller and tunneling effects have also been discussed. Ring inversion, bond shifting and valence isomerization reactive channels from the tub COT conformer are discussed from the point of view of the corresponding transition state structures. Where possible, in order to lend support to this theoretical information comparisons with recent transition state spectroscopy data are made.

Quantitative Restoration of the Evolution of Mantle Structures Using Data Assimilation

NASA Astrophysics Data System (ADS)

Ismail-Zadeh, A.; Schubert, G.; Tsepelev, I.

2008-12-01

Rapid progress in imaging deep Earth structures and in studies of physical and chemical properties of mantle rocks facilitates research in assimilation of data related to mantle dynamics. We present a quantitative approach to assimilation of geophysical and geodetic data, which allows for incorporating observations and unknown initial conditions for mantle temperature and flow into a three-dimensional dynamic model in order to determine the initial conditions in the geological past. Once the conditions are determined the evolution of mantle structures can be restore backward in time. We apply data assimilation techniques to model the evolution of mantle plumes and lithospheric slabs. We show that the geometry of the mantle structures changes with time diminishing the degree of surface curvature of the structures, because the heat conduction smoothes the complex thermal surfaces of mantle bodies with time. Present seismic tomography images of mantle structures do not allow definition of the sharp shapes of these structures. Assimilation of mantle temperature and flow to the geological past instead provides a quantitative tool to restore thermal shapes of prominent structures in the past from their diffusive shapes at present.

Finite Element Based HWB Centerbody Structural Optimization and Weight Prediction

NASA Technical Reports Server (NTRS)

Gern, Frank H.

2012-01-01

This paper describes a scalable structural model suitable for Hybrid Wing Body (HWB) centerbody analysis and optimization. The geometry of the centerbody and primary wing structure is based on a Vehicle Sketch Pad (VSP) surface model of the aircraft and a FLOPS compatible parameterization of the centerbody. Structural analysis, optimization, and weight calculation are based on a Nastran finite element model of the primary HWB structural components, featuring centerbody, mid section, and outboard wing. Different centerbody designs like single bay or multi-bay options are analyzed and weight calculations are compared to current FLOPS results. For proper structural sizing and weight estimation, internal pressure and maneuver flight loads are applied. Results are presented for aerodynamic loads, deformations, and centerbody weight.

Digital holographic characterization of liquid microlenses array fabricated in electrode-less configuration

NASA Astrophysics Data System (ADS)

Miccio, L.; Vespini, V.; Grilli, S.; Paturzo, M.; Finizio, A.; De Nicola, S.; Ferraro, P.

2009-06-01

We show how thin liquid film on polar dielectric substrate can form an array of liquid micro-lenses. The effect is driven by the pyroelectric effect leading to a new concept in electro-wetting (EW). EW is a viable method for actuation of liquids in microfluidic systems and requires the design and fabrication of complex electrodes for suitable actuation of liquids. When compared to conventional electrowetting devices, the pyroelectric effect allowed to have an electrode-less and circuitless configuration. In our case the surface electric charge induced by the thermal stimulus is able to pattern selectively the surface wettability according to geometry of the ferroelectric domains micro-engineered into the lithium niobate crystal. We show that different geometries of liquid microlenses can be obtained showing also a tuneability of the focal lenses down to 1.6 mm. Thousand of liquid microlenses, each with 100 μm diameter, can be formed and actuated. Also different geometries such as hemi-cylindrical and toroidal liquid structures can be easily obtained. By means of a digital holography method, an accurate characterization of the micro-lenses curvature is performed and presented. The preliminary results concerning the imaging capability of the micro-lens array are also reported. Microlens array can find application in medical stereo-endoscopy, imaging, telecommunication and optical data storage too.

Theoretical investigation of the electronic structure and quantum transport in the graphene-C(111) diamond surface system.

PubMed

Selli, Daniele; Baburin, Igor; Leoni, Stefano; Zhu, Zhen; Tománek, David; Seifert, Gotthard

2013-10-30

We investigate the interaction of a graphene monolayer with the C(111) diamond surface using ab initio density functional theory. To accommodate the lattice mismatch between graphene and diamond, the overlayer deforms into a wavy structure that binds strongly to the diamond substrate. The detached ridges of the wavy graphene overlayer behave electronically as free-standing polyacetylene chains with delocalized π electrons, separated by regions containing only sp(3) carbon atoms covalently bonded to the (111) diamond surface. We performed quantum transport calculations for different geometries of the system to study how the buckling of the graphene layer and the associated bonding to the diamond substrate affect the transport properties. The system displays high carrier mobility along the ridges and a wide transport gap in the direction normal to the ridges. These intriguing, strongly anisotropic transport properties qualify the hybrid graphene-diamond system as a viable candidate for electronic nanodevices.

Effect of tissue scaffold topography on protein structure monitored by fluorescence spectroscopy.

PubMed

Portugal, Carla A M; Truckenmüller, Roman; Stamatialis, Dimitrios; Crespo, João G

2014-11-10

The impact of surface topography on the structure of proteins upon adhesion was assessed through non-invasive fluorescence monitoring. This study aimed at obtaining a better understanding about the role of protein structural status on cell-scaffold interactions. The changes induced upon adsorption of two model proteins with different geometries, trypsin (globular conformation) and fibrinogen (rod-shaped conformation) on poly-l-lactic acid (PLLA) scaffolds with different surface topographies, flat, fibrous and surfaces with aligned nanogrooves, were assessed by fluorescence spectroscopy monitoring, using tryptophan as structural probe. Hence, the maximum emission blue shift and the increase of fluorescence anisotropy observed after adsorption of globular and rod-like shaped proteins on surfaces with parallel nanogrooves were ascribed to more intense protein-surface interactions. Furthermore, the decrease of fluorescence anisotropy observed upon adsorption of proteins to scaffolds with fibrous morphology was more significant for rod-shaped proteins. This effect was associated to the ability of these proteins to adjust to curved surfaces. The additional unfolding of proteins induced upon adsorption on scaffolds with a fibrous morphology may be the reason for better cell attachment there, promoting an easier access of cell receptors to initially hidden protein regions (e.g. RGDS sequence), which are known to have a determinant role in cell attaching processes. Copyright © 2014 Elsevier B.V. All rights reserved.

SABRINA: an interactive solid geometry modeling program for Monte Carlo

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

West, J.T.

SABRINA is a fully interactive three-dimensional geometry modeling program for MCNP. In SABRINA, a user interactively constructs either body geometry, or surface geometry models, and interactively debugs spatial descriptions for the resulting objects. This enhanced capability significantly reduces the effort in constructing and debugging complicated three-dimensional geometry models for Monte Carlo Analysis.

The role of titanium nitride supports for single-atom platinum-based catalysts in fuel cell technology.

PubMed

Zhang, Ren-Qin; Lee, Tae-Hun; Yu, Byung-Deok; Stampfl, Catherine; Soon, Aloysius

2012-12-28

As a first step towards a microscopic understanding of single-Pt atom-dispersed catalysts on non-conventional TiN supports, we present density-functional theory (DFT) calculations to investigate the adsorption properties of Pt atoms on the pristine TiN(100) surface, as well as the dominant influence of surface defects on the thermodynamic stability of platinized TiN. Optimized atomic geometries, energetics, and analysis of the electronic structure of the Pt/TiN system are reported for various surface coverages of Pt. We find that atomic Pt does not bind preferably to the clean TiN surface, but under typical PEM fuel cell operating conditions, i.e. strongly oxidizing conditions, TiN surface vacancies play a crucial role in anchoring the Pt atom for its catalytic function. Whilst considering the energetic stability of the Pt/TiN structures under varying N conditions, embedding Pt at the surface N-vacancy site is found to be the most favorable under N-lean conditions. Thus, the system of embedding Pt at the surface N-vacancy sites on TiN(100) surfaces could be promising catalysts for PEM fuel cells.

Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate

PubMed Central

2016-01-01

The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO3 (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO3 (110) invariably terminates with an overlayer of titania, with increasing density its structure switches from n × 1 to 2 × n. At the same time the coordination of the Ti atoms changes from a network of corner-sharing tetrahedra to a double layer of edge-shared octahedra with bridging units of octahedrally coordinated strontium. This transition from the n × 1 to 2 × n reconstructions is a transition from a pseudomorphically stabilized tetrahedral network toward an octahedral titania thin film with stress-relief from octahedral strontia units at the surface. PMID:26954064

The dynamics of turbulent premixed flames: Mechanisms and models for turbulence-flame interaction

NASA Astrophysics Data System (ADS)

Steinberg, Adam M.

The use of turbulent premixed combustion in engines has been garnering renewed interest due to its potential to reduce NOx emissions. However there are many aspects of turbulence-flame interaction that must be better understood before such flames can be accurately modeled. The focus of this dissertation is to develop an improved understanding for the manner in which turbulence interacts with a premixed flame in the 'thin flamelet regime'. To do so, two new diagnostics were developed and employed in a turbulent slot Bunsen flame. These diagnostics, Cinema-Stereoscopic Particle Image Velocimetry and Orthogonal-Plane Cinema-Stereoscopic Particle Image Velocimetry, provided temporally resolved velocity and flame surface measurements in two- and three-dimensions with rates of up to 3 kHz and spatial resolutions as low as 280 mum. Using these measurements, the mechanisms with which turbulence generates flame surface area were studied. It was found that the previous concept that flame stretch is characterized by counter-rotating vortex pairs does not accurately describe real turbulence-flame interactions. Analysis of the experimental data showed that the straining of the flame surface is determined by coherent structures of fluid dynamic strain rate, while the wrinkling is caused by vortical structures. Furthermore, it was shown that the canonical vortex pair configuration is not an accurate reflection of the real interaction geometry. Hence, models developed based on this geometry are unlikely to be accurate. Previous models for the strain rate, curvature stretch rate, and turbulent burning velocity were evaluated. It was found that the previous models did not accurately predict the measured data for a variety of reasons: the assumed interaction geometries did not encompass enough possibilities to describe the possible effects of real turbulence, the turbulence was not properly characterized, and the transport of flame surface area was not always considered. New models therefore were developed that accurately reflect real turbulence-flame interactions and agree with the measured data. These can be implemented in Large Eddy Simulations to provide improved modeling of turbulence-flame interaction.

The Challenge of Producing Fiber-Based Organic Electronic Devices

PubMed Central

Könyves-Toth, Tobias; Gassmann, Andrea; von Seggern, Heinz

2014-01-01

The implementation of organic electronic devices on fibers is a challenging task, not yet investigated in detail. As was shown earlier, a direct transition from a flat device structure to a fiber substrate is in principle possible. However, a more detailed investigation of the process reveals additional complexities than just the transition in geometry. It will be shown, that the layer formation of evaporated materials behaves differently due to the multi-angled incidence on the fibers surface. In order to achieve homogenous layers the evaporation process has to be adapted. Additionally, the fiber geometry itself facilitates damaging of its surface due to mechanical impact and leads to a high surface roughness, thereby often hindering commercial fibers to be used as substrates. In this article, a treatment of commercial polymer-coated glass fibers will be demonstrated that allows for the fabrication of rather flexible organic light-emitting diodes (OLEDs) with cylindrical emission characteristics. Since OLEDs rely the most on a smooth substrate, fibers undergoing the proposed treatment are applicable for other organic electronic devices such as transistors and solar cells. Finally, the technique also supports the future fabrication of organic electronics not only in smart textiles and woven electronics but also in bent surfaces, which opens a wide range of applications. PMID:28788128

Electrical properties of AlGaN/GaN HEMTs in stretchable geometries

NASA Astrophysics Data System (ADS)

Tompkins, R. P.; Mahaboob, I.; Shahedipour-Sandvik, F.; Lazarus, N.

2017-10-01

Many biological materials are naturally soft and stretchable, far more so than crystalline semiconductors. Creating systems that can be placed directly on a surface such as human skin has required new approaches in electronic device design and materials, a field known as stretchable electronics. One common method for fabricating a highly brittle semiconductor device able to survive tens of percent strain is to incorporate stress relief structures ('waves'). Although the mechanical advantages of this approach are well known, the effects on the electrical behavior of a device such as a transistor compared to a more traditional geometry have not been studied. Here, AlGaN/GaN high electron mobility transistors (HEMTs) grown on rigid sapphire substrates were fabricated in a common wavy geometry, a sinusoid, with dimensions similar to those used in stretchable electronics. The study analyzes control parameters available to the designer including gate location along the sinusoid, angle the source-drain contacts make with the gate, as well as variation of the gate length at the peak of the sinusoid. Common electrical parameters such as saturation current density, threshold voltage, and transconductance were compared between the sinusoidal and conventional straight geometries and results found to fall to within experimental uncertainty, suggesting shifting to a stretchable geometry is possible without appreciably degrading semiconductor device performance.

Interactive Classification of Construction Materials: Feedback Driven Framework for Annotation and Analysis of 3d Point Clouds

NASA Astrophysics Data System (ADS)

Hess, M. R.; Petrovic, V.; Kuester, F.

2017-08-01

Digital documentation of cultural heritage structures is increasingly more common through the application of different imaging techniques. Many works have focused on the application of laser scanning and photogrammetry techniques for the acquisition of threedimensional (3D) geometry detailing cultural heritage sites and structures. With an abundance of these 3D data assets, there must be a digital environment where these data can be visualized and analyzed. Presented here is a feedback driven visualization framework that seamlessly enables interactive exploration and manipulation of massive point cloud data. The focus of this work is on the classification of different building materials with the goal of building more accurate as-built information models of historical structures. User defined functions have been tested within the interactive point cloud visualization framework to evaluate automated and semi-automated classification of 3D point data. These functions include decisions based on observed color, laser intensity, normal vector or local surface geometry. Multiple case studies are presented here to demonstrate the flexibility and utility of the presented point cloud visualization framework to achieve classification objectives.

Optimal Ge/SiGe nanofin geometries for hole mobility enhancement: Technology limit from atomic simulations

NASA Astrophysics Data System (ADS)

Vedula, Ravi Pramod; Mehrotra, Saumitra; Kubis, Tillmann; Povolotskyi, Michael; Klimeck, Gerhard; Strachan, Alejandro

2015-05-01

We use first principles simulations to engineer Ge nanofins for maximum hole mobility by controlling strain tri-axially through nano-patterning. Large-scale molecular dynamics predict fully relaxed, atomic structures for experimentally achievable nanofins, and orthogonal tight binding is used to obtain the corresponding electronic structure. Hole transport properties are then obtained via a linearized Boltzmann formalism. This approach explicitly accounts for free surfaces and associated strain relaxation as well as strain gradients which are critical for quantitative predictions in nanoscale structures. We show that the transverse strain relaxation resulting from the reduction in the aspect ratio of the fins leads to a significant enhancement in phonon limited hole mobility (7× over unstrained, bulk Ge, and 3.5× over biaxially strained Ge). Maximum enhancement is achieved by reducing the width to be approximately 1.5 times the height and further reduction in width does not result in additional gains. These results indicate significant room for improvement over current-generation Ge nanofins, provide geometrical guidelines to design optimized geometries and insight into the physics behind the significant mobility enhancement.

Detection and structural characterization of nitrosamide H2NNO: A central intermediate in deNOx processes.

PubMed

McCarthy, Michael C; Lee, Kin Long Kelvin; Stanton, John F

2017-10-07

The structure and bonding of H 2 NNO, the simplest N-nitrosamine, and a key intermediate in deNO x processes, have been precisely characterized using a combination of rotational spectroscopy of its more abundant isotopic species and high-level quantum chemical calculations. Isotopic spectroscopy provides compelling evidence that this species is formed promptly in our discharge expansion via the NH 2 + NO reaction and is collisionally cooled prior to subsequent unimolecular rearrangement. H 2 NNO is found to possess an essentially planar geometry, an NNO angle of 113.67(5)°, and a N-N bond length of 1.342(3) Å; in combination with the derived nitrogen quadrupole coupling constants, its bonding is best described as an admixture of uncharged dipolar (H 2 N-N=O, single bond) and zwitterion (H 2 N + =N-O - , double bond) structures. At the CCSD(T) level, and extrapolating to the complete basis set limit, the planar geometry appears to represent the minimum of the potential surface, although the torsional potential of this molecule is extremely flat.

Detection and structural characterization of nitrosamide H2NNO: A central intermediate in deNOx processes

NASA Astrophysics Data System (ADS)

McCarthy, Michael C.; Lee, Kin Long Kelvin; Stanton, John F.

2017-10-01

The structure and bonding of H2NNO, the simplest N-nitrosamine, and a key intermediate in deNOx processes, have been precisely characterized using a combination of rotational spectroscopy of its more abundant isotopic species and high-level quantum chemical calculations. Isotopic spectroscopy provides compelling evidence that this species is formed promptly in our discharge expansion via the NH2 + NO reaction and is collisionally cooled prior to subsequent unimolecular rearrangement. H2NNO is found to possess an essentially planar geometry, an NNO angle of 113.67(5)°, and a N-N bond length of 1.342(3) Å; in combination with the derived nitrogen quadrupole coupling constants, its bonding is best described as an admixture of uncharged dipolar (H2N-N=O, single bond) and zwitterion (H2N+=N-O-, double bond) structures. At the CCSD(T) level, and extrapolating to the complete basis set limit, the planar geometry appears to represent the minimum of the potential surface, although the torsional potential of this molecule is extremely flat.

The sensitivity of biological finite element models to the resolution of surface geometry: a case study of crocodilian crania

PubMed Central

Evans, Alistair R.; McHenry, Colin R.

2015-01-01

The reliability of finite element analysis (FEA) in biomechanical investigations depends upon understanding the influence of model assumptions. In producing finite element models, surface mesh resolution is influenced by the resolution of input geometry, and influences the resolution of the ensuing solid mesh used for numerical analysis. Despite a large number of studies incorporating sensitivity studies of the effects of solid mesh resolution there has not yet been any investigation into the effect of surface mesh resolution upon results in a comparative context. Here we use a dataset of crocodile crania to examine the effects of surface resolution on FEA results in a comparative context. Seven high-resolution surface meshes were each down-sampled to varying degrees while keeping the resulting number of solid elements constant. These models were then subjected to bite and shake load cases using finite element analysis. The results show that incremental decreases in surface resolution can result in fluctuations in strain magnitudes, but that it is possible to obtain stable results using lower resolution surface in a comparative FEA study. As surface mesh resolution links input geometry with the resulting solid mesh, the implication of these results is that low resolution input geometry and solid meshes may provide valid results in a comparative context. PMID:26056620

Quantitative detection of cartilage surfaces and ligament geometry of the wrist using an imaging cryomicrotome system.

PubMed

Dvinskikh, N A; Blankevoort, L; Foumani, M; Spaan, J A E; Streekstra, G J

2010-03-22

Biomechanical models may aid in improving diagnosis and treatment of wrist joint disorders. As input, geometrical information is required for model development. Previous studies acquired some elements of the average wrist joint geometry. However, there is a close geometric functional match between articulating surfaces and ligament geometry. Therefore, biomechanical models need to be fed with the geometric data of individual joints. This study is aimed at acquiring geometric data of cartilage surfaces and ligaments from individual wrist joints by using a cryomicrotome imaging system and the evaluation of inter- and intra-observer variability of the data. The 3D geometry of 30 cartilage surfaces and 15 ligaments in three cadaver wrists was manually detected and quantitatively reconstructed. The inter- and intra-observer variability of the cartilage surface detection was 0.14 and 0.19 mm, respectively. For the position of the radius attachment of the dorsal radiocarpal ligament (DRC), the observer variations were 0.12 and 0.65 mm, for intra-/inter-observer, respectively. For the DRC attachment on the triquetrum, the observer variations were 0.22 and 1.19 mm. Anatomic reconstruction from 3D cryomicrotome images offer a method to obtain unique geometry data of the entire wrist joint for modeling purposes. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

Design of Microporosity in Membrane Distillation

NASA Astrophysics Data System (ADS)

Zhao, Tom; Patankar, Neelesh

2017-11-01

Membrane Distillation (MD) is a desalination method where only vapor can pass through pores in a hydrophobic membrane. Unlike reverse osmosis, MD is insensitive to feed salinity (osmotic pressure) and demonstrates near 100% salt rejection in processing wastewater with a high concentration of nonvolatile impurities. To maximize vapor flux and maintain salt rejection, we demonstrate using molecular dynamics the critical pore radius below which the liquid feed will not intrude or nucleate inside the pores for cylindrical, re-entrant and conical pore geometries. We note that re-entrant structures not only can process low surface-tension wastewater due to its inherent oleophobicity, but can also be optimized to achieve maximum vapor transport compared to all other pore geometries as a function of the material hydrophobicity.

Geometry in the mechanics of origami

NASA Astrophysics Data System (ADS)

Dias, Marcelo A.; Santangelo, Christian D.

2012-02-01

We present a mechanical model for curved fold origami in which the bending energies of developable regions are balanced with a phenomenological energy for the crease. The latter energy comes into play as a source of geometric frustration, allowing us to study shape formation by prescribing crease patterns. For a single fold annular configuration, we show how geometry forces a symmetry breaking of the ground state by increasing the width of the ribbon. We extend our model to study multiple fold structures, where we derive geometrical constraints that can be written as recursive relations to build the surface from valley to mountain, and so on. We also suggest a mechanical model for single vertex folds, mapping this problem to an elastica on the sphere.

2D/3D image charge for modeling field emission

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

Jensen, Kevin L.; Shiffler, Donald A.; Harris, John R.

Analytic image charge approximations exist for planar and spherical metal surfaces but approximations for more complex geometries, such as the conical and wirelike structures characteristic of field emitters, are lacking. Such models are the basis for the evaluation of Schottky lowering factors in equations for current density. The development of a multidimensional image charge approximation, useful for a general thermal-field emission equation used in space charge studies, is given and based on an analytical model using a prolate spheroidal geometry. A description of how the model may be adapted to be used with a line charge model appropriate for carbonmore » nanotube and carbon fiber field emitters is discussed. [http://dx.doi.org/10.1116/1.4968007]« less

Effect of tow alignment on the mechanical performance of 3D woven textile composites

NASA Technical Reports Server (NTRS)

Norman, Timothy L.; Allison, Patti; Baldwin, Jack W.; Gracias, Brian K.; Seesdorf, Dave

1993-01-01

Three-dimensional (3D) woven preforms are currently being considered for use as primary structural components. Lack of technology to properly manufacture, characterize and predict mechanical properties, and predict damage mechanisms leading to failure are problems facing designers of textile composite materials. Two material systems with identical specifications but different manufacturing approaches are investigated. One manufacturing approach resulted in an irregular (nonuniform) preform geometry. The other approach yielded the expected preform geometry (uniform). The objectives are to compare the mechanical properties of the uniform and nonuniform angle interlock 3D weave constructions. The effect of adding layers of laminated tape to the outer surfaces of the textile preform is also examined. Damage mechanisms are investigated and test methods are evaluated.

2D/3D image charge for modeling field emission

DOE PAGES

Jensen, Kevin L.; Shiffler, Donald A.; Harris, John R.; ...

2017-03-01

Analytic image charge approximations exist for planar and spherical metal surfaces but approximations for more complex geometries, such as the conical and wirelike structures characteristic of field emitters, are lacking. Such models are the basis for the evaluation of Schottky lowering factors in equations for current density. The development of a multidimensional image charge approximation, useful for a general thermal-field emission equation used in space charge studies, is given and based on an analytical model using a prolate spheroidal geometry. A description of how the model may be adapted to be used with a line charge model appropriate for carbonmore » nanotube and carbon fiber field emitters is discussed. [http://dx.doi.org/10.1116/1.4968007]« less

Design and Laboratory Validation of a Capacitive Sensor for Measuring the Recession of Thin-Layered Ablator

NASA Technical Reports Server (NTRS)

Noffz, Gregory K.; Bowman, Michael P.

1996-01-01

Flight vehicles are typically instrumented with subsurface thermocouples to estimate heat transfer at the surface using inverse analysis procedures. If the vehicle has an ablating heat shield, however, temperature time histories from subsurface thermocouples no longer provide enough information to estimate heat flux at the surface. In this situation, the geometry changes and thermal energy leaves the surface in the form of ablation products. The ablation rate is required to estimate heat transfer to the surface. A new concept for a capacitive sensor has been developed to measure ablator depth using the ablator's dielectric effect on a capacitor's fringe region. Relying on the capacitor's fringe region enables the gage to be flush mounted in the vehicle's permanent structure and not intrude into the ablative heat shield applied over the gage. This sensor's design allows nonintrusive measurement of the thickness of dielectric materials, in particular, the recession rates of low-temperature ablators applied in thin (0.020 to 0.060 in. (0.05 to 0.15 mm)) layers. Twenty capacitive gages with 13 different sensing element geometries were designed, fabricated, and tested. A two-dimensional finite-element analysis was performed on several candidate geometries. Calibration procedures using ablator-simulating shims are described. A one-to-one correspondence between system output and dielectric material thickness was observed out to a thickness of 0.055 in. (1.4 mm) for a material with a permittivity about three times that of air or vacuum. A novel method of monitoring the change in sensor capacitance was developed. This technical memorandum suggests further improvements in gage design and fabrication techniques.

Outlines on nanotechnologies applied to bladder tissue engineering.

PubMed

Alberti, C

2012-01-01

Tissue engineering technologies are more and more expanding as consequence of recent developments in the field of biomaterial science and nanotechnology research. An important issue in designing scaffold materials is that of recreating the ECM (extra-cellular matrix) functional features - particularly ECM-derived complex molecule signalling - to mimic its capability of directing cell-growth and neotissue morphogenesis. In this way the nanotechnology may offer intriguing chances, biomaterial nanoscale-based scaffold geometry behaving as nanomechanotransducer complex interacting with different cell nanosize proteins, especially with those of cell surface mechanoreceptors. To fabricate 3D-scaffold complex architectures, endowed with controlled geometry and functional properties, bottom-up approaches, based on molecular self-assembling of small building polymer units, are used, sometimes functionalizing them by incorporation of bioactive peptide sequences such as RDG (arginine - glycine - aspartic acid, a cell-integrin binding domain of fibronectin), whereas the top-down approaches are useful to fabricate micro/nanoscale structures, such as a microvasculature within an existing complex bioarchitecture. Synthetic polymer-based nanofibers, produced by electrospinning process, may be used to create fibrous scaffolds that can facilitate, given their nanostructured geometry and surface roughness, cell adhesion and growth. Also bladder tissue engineering may benefit by nanotechnology advances to achieve a better reliability of the bladder engineered tissue. Particularly, bladder smooth muscle cell adhesion to nanostructured polymeric surfaces is significantly enhanced in comparison with that to conventional biomaterials. Moreover nanostructured surfaces of bladder engineered tissue show a decreased calcium stone production. In a bladder tumor animal model, the dispersion of carbon nanofibers in a polymeric scaffold-based tissue engineered replacement neobladder, appears to inhibit a carcinogenic relapse in bladder prosthetic material. Facing the future, a full success of bladder tissue engineering will mainly depend on the progress of both biomaterial nanotechnologies and stem cell biology research.

Intrinsic two-dimensional states on the pristine surface of tellurium

NASA Astrophysics Data System (ADS)

Li, Pengke; Appelbaum, Ian

2018-05-01

Atomic chains configured in a helical geometry have fascinating properties, including phases hosting localized bound states in their electronic structure. We show how the zero-dimensional state—bound to the edge of a single one-dimensional helical chain of tellurium atoms—evolves into two-dimensional bands on the c -axis surface of the three-dimensional trigonal bulk. We give an effective Hamiltonian description of its dispersion in k space by exploiting confinement to a virtual bilayer, and elaborate on the diminished role of spin-orbit coupling. These intrinsic gap-penetrating surface bands were neglected in the interpretation of seminal experiments, where two-dimensional transport was otherwise attributed to extrinsic accumulation layers.

Copper(II) adsorption on the kaolinite(001) surface: Insights from first-principles calculations and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Kong, Xiang-Ping; Wang, Juan

2016-12-01

The adsorption behavior of Cu(II) on the basal hydroxylated kaolinite(001) surface in aqueous environment was investigated by first-principles calculations and molecular dynamics simulations. Structures of possible monodentate and bidentate inner-sphere adsorption complexes of Cu(II) were examined, and the charge transfer and bonding mechanism were analyzed. Combining the binding energy of complex, the radial distribution function of Cu(II) with oxygen and the extended X-ray absorption fine structure data, monodentate complex on site of surface oxygen with ;upright; hydrogen and bidentate complex on site of two oxygens (one with ;upright; hydrogen and one with ;lying; hydrogen) of single Al center have been found to be the major adsorption species of Cu(II). Both adsorption species are four-coordinated with a square planar geometry. The distribution of surface hydroxyls with ;lying; hydrogen around Cu(II) plays a key role in the structure and stability of adsorption complex. Upon the Mulliken population analysis and partial density of states, charge transfer occurs with Cu(II) accepting some electrons from both surface oxygens and aqua oxygens, and the bonding Cu 3d-O 2p state filling is primarily responsible for the strong covalent interaction of Cu(II) with surface oxygen.

Modelling of Tool Wear and Residual Stress during Machining of AISI H13 Tool Steel

NASA Astrophysics Data System (ADS)

Outeiro, José C.; Umbrello, Domenico; Pina, José C.; Rizzuti, Stefania

2007-05-01

Residual stresses can enhance or impair the ability of a component to withstand loading conditions in service (fatigue, creep, stress corrosion cracking, etc.), depending on their nature: compressive or tensile, respectively. This poses enormous problems in structural assembly as this affects the structural integrity of the whole part. In addition, tool wear issues are of critical importance in manufacturing since these affect component quality, tool life and machining cost. Therefore, prediction and control of both tool wear and the residual stresses in machining are absolutely necessary. In this work, a two-dimensional Finite Element model using an implicit Lagrangian formulation with an automatic remeshing was applied to simulate the orthogonal cutting process of AISI H13 tool steel. To validate such model the predicted and experimentally measured chip geometry, cutting forces, temperatures, tool wear and residual stresses on the machined affected layers were compared. The proposed FE model allowed us to investigate the influence of tool geometry, cutting regime parameters and tool wear on residual stress distribution in the machined surface and subsurface of AISI H13 tool steel. The obtained results permit to conclude that in order to reduce the magnitude of surface residual stresses, the cutting speed should be increased, the uncut chip thickness (or feed) should be reduced and machining with honed tools having large cutting edge radii produce better results than chamfered tools. Moreover, increasing tool wear increases the magnitude of surface residual stresses.

Granular slumping on a horizontal surface

NASA Astrophysics Data System (ADS)

Lajeunesse, E.; Monnier, J. B.; Homsy, G. M.

2005-10-01

We report the results of an experimental investigation of the flow induced by the collapse of a column of granular material (glass beads of diameter d) over a horizontal surface. Two different setups are used, namely, a rectangular channel and a semicircular tube, allowing us to compare two-dimensional and axisymmetric flows, with particular focus on the internal flow structure. In both geometries the flow dynamics and the deposit morphologies are observed to depend primarily on the initial aspect ratio of the granular column a =Hi/Li, where Hi is the height of the initial granular column and Li its length along the flow direction. Two distinct regimes are observed depending on a: an avalanche of the column flanks producing truncated deposits for small a and a column free fall leading to conical deposits for large a. In both geometries the characteristic time scale is the free fall of the granular column τc=√Hi/g . The flow initiated by Coulomb-like failure never involves the whole granular heap but remains localized in a surface layer whose size and shape depend on a and vary in both space and time. Except in the vicinity of the pile foot where the flow is pluglike, velocity profiles measured at the side wall are identical to those commonly observed in steady granular surface flows: the velocity varies linearly with depth in the flowing layer and decreases exponentially with depth in the static layer. Moreover, the shear rate is constant, γ˙=0.3√g /d , independent of the initial aspect ratio, the flow geometry, position along the heap, or time. Despite the rather complex flow dynamics, the scaled deposit height Hf/Li and runout distance ΔL /Li both exhibit simple power laws whose exponents depend on a and on the flow geometry. We show that the physical origin of these power laws can be understood on the basis of a dynamic balance between acceleration, pressure gradient, and friction forces at the foot of the granular pile. Two asymptotic behaviors can be distinguished: the flow is dominated by friction forces at small a and by pressure forces at large a. The effect of the flow geometry is determined primarily by mass conservation and becomes important only for large a.

An immersogeometric variational framework for fluid–structure interaction: application to bioprosthetic heart valves

PubMed Central

Kamensky, David; Hsu, Ming-Chen; Schillinger, Dominik; Evans, John A.; Aggarwal, Ankush; Bazilevs, Yuri; Sacks, Michael S.; Hughes, Thomas J. R.

2014-01-01

In this paper, we develop a geometrically flexible technique for computational fluid–structure interaction (FSI). The motivating application is the simulation of tri-leaflet bioprosthetic heart valve function over the complete cardiac cycle. Due to the complex motion of the heart valve leaflets, the fluid domain undergoes large deformations, including changes of topology. The proposed method directly analyzes a spline-based surface representation of the structure by immersing it into a non-boundary-fitted discretization of the surrounding fluid domain. This places our method within an emerging class of computational techniques that aim to capture geometry on non-boundary-fitted analysis meshes. We introduce the term “immersogeometric analysis” to identify this paradigm. The framework starts with an augmented Lagrangian formulation for FSI that enforces kinematic constraints with a combination of Lagrange multipliers and penalty forces. For immersed volumetric objects, we formally eliminate the multiplier field by substituting a fluid–structure interface traction, arriving at Nitsche’s method for enforcing Dirichlet boundary conditions on object surfaces. For immersed thin shell structures modeled geometrically as surfaces, the tractions from opposite sides cancel due to the continuity of the background fluid solution space, leaving a penalty method. Application to a bioprosthetic heart valve, where there is a large pressure jump across the leaflets, reveals shortcomings of the penalty approach. To counteract steep pressure gradients through the structure without the conditioning problems that accompany strong penalty forces, we resurrect the Lagrange multiplier field. Further, since the fluid discretization is not tailored to the structure geometry, there is a significant error in the approximation of pressure discontinuities across the shell. This error becomes especially troublesome in residual-based stabilized methods for incompressible flow, leading to problematic compressibility at practical levels of refinement. We modify existing stabilized methods to improve performance. To evaluate the accuracy of the proposed methods, we test them on benchmark problems and compare the results with those of established boundary-fitted techniques. Finally, we simulate the coupling of the bioprosthetic heart valve and the surrounding blood flow under physiological conditions, demonstrating the effectiveness of the proposed techniques in practical computations. PMID:25541566

From Laser Scanning to Finite Element Analysis of Complex Buildings by Using a Semi-Automatic Procedure

PubMed Central

Castellazzi, Giovanni; D’Altri, Antonio Maria; Bitelli, Gabriele; Selvaggi, Ilenia; Lambertini, Alessandro

2015-01-01

In this paper, a new semi-automatic procedure to transform three-dimensional point clouds of complex objects to three-dimensional finite element models is presented and validated. The procedure conceives of the point cloud as a stacking of point sections. The complexity of the clouds is arbitrary, since the procedure is designed for terrestrial laser scanner surveys applied to buildings with irregular geometry, such as historical buildings. The procedure aims at solving the problems connected to the generation of finite element models of these complex structures by constructing a fine discretized geometry with a reduced amount of time and ready to be used with structural analysis. If the starting clouds represent the inner and outer surfaces of the structure, the resulting finite element model will accurately capture the whole three-dimensional structure, producing a complex solid made by voxel elements. A comparison analysis with a CAD-based model is carried out on a historical building damaged by a seismic event. The results indicate that the proposed procedure is effective and obtains comparable models in a shorter time, with an increased level of automation. PMID:26225978

Computer aided flexible envelope designs

NASA Technical Reports Server (NTRS)

Resch, R. D.

1975-01-01

Computer aided design methods are presented for the design and construction of strong, lightweight structures which require complex and precise geometric definition. The first, flexible structures, is a unique system of modeling folded plate structures and space frames. It is possible to continuously vary the geometry of a space frame to produce large, clear spans with curvature. The second method deals with developable surfaces, where both folding and bending are explored with the observed constraint of available building materials, and what minimal distortion result in maximum design capability. Alternative inexpensive fabrication techniques are being developed to achieve computer defined enclosures which are extremely lightweight and mathematically highly precise.

Thin-skinned tectonics of the Upper Ojai Valley and Sulphur Mountain area, Ventura basin, California

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

Huftile, G.J.

1991-08-01

By integrating surface mapping with subsurface well data and drawing cross sections and subsurface maps, the geometry of shallow structures and their geologic history of the Upper Ojai Valley of California can be reconstructed. The geometry of shallow structures, the geologic history, and the location of earthquake foci then offer constraints on the deep structure of this complex area. The Upper Ojai Valley is a tectonic depression between opposing reverse faults. Its northern border is formed by the active, north-dipping San Cayetano fault, which has 6.0 km of stratigraphic separation in the Silverthread area of the Ojai oil field andmore » 2.6 km of stratigraphic separation west of Sisar Creek. The fault dies out farther west in Ojai Valley, where the south-vergent shortening is transferred to a blind thrust. The southern border of the Upper Ojai Valley is formed by the Quaternary Lion fault set, which dips south and merges into the Sisar decollement within the south-dipping, ductile, lower Miocene Rincon formation. By the middle Pleistocene, the Sulphur Mountain anticlinorium and the Big Canyon syncline began forming as a fault-propagation fold; the fault-propagation fold is rooted in the Sisar decollement, a passive backthrust rising from a blind thrust at depth. The formation of the Sulphur Mountain anticlinorium was followed closely by the ramping of the south-dipping Lion fault set to the surface over the nonmarine upper Pleistocene Saugus Formation. To the east, the San Cayetano fault overrides and folds the Lion Fault set near the surface. Area-balancing of the deformation shows shortening of 15.5 km, and suggests a 17 km depth to the brittle-ductile transition.« less

Correlating High Resolution Radar Reflectors with Visible Layering of the Polar Layered Deposits, Mars

NASA Astrophysics Data System (ADS)

Christian, S.; Holt, J. W.; Choudhary, P.; Fishbaugh, K. E.; Plaut, J. J.

2010-12-01

The Shallow Radar (SHARAD) onboard NASA’s Mars Reconnaissance Orbiter (MRO) has successfully detected many subsurface reflectors in the North Polar Layered Deposits (NPLD) of Mars. Confirming that these reflectors are caused by varying fractions of dust within the ice will be of primary importance in any attempt to model the composition of the NPLD, particularly if such a study incorporates optical data based on the assumption of a shared mechanism between layering and radar reflectance. As a first step towards examining this assumption, we have quantitatively studied the relationship between radar reflectors and adjacent visible layers exposed in an NPLD outcrop using statistical analyses and geometric comparisons. A clustering analysis of vertical separation distances between radar reflectors returned strong values at 11.8, 15.8, 20.3, 27.9, and 35.3 m, which strongly agree with published visible layer clusters [Fishbaugh et al., LPSC, 2009] and known frequency analysis results [Milkovich and Head, JGR, 2005]. Furthermore, in order to understand subsurface structures and reflector geometry we have gridded reflector surfaces in three dimensions, taking into account the influence of surface slopes to obtain accurate subsurface geometries. These geometries reveal average reflector dips of 0.4°, which are consistent with optical layer slopes on the order of 1.0°. Unexpected long wavelength topography resulting from subsurface structures visible to SHARAD complicated the attempt to compare radar reflector geometries with layer boundary elevation profiles obtained from the stratigraphic column produced using a digital elevation model (DEM) of High Resolution Imaging Science Experiment (HiRISE) stereo imagery [Fishbaugh et al., GRL, 2010]. The limitation imposed by the small extent of the DEM was resolved by increasing exposure coverage through the incorporation of images from Context Camera (CTX), also on MRO. In doing so, we were able to resolve the disparity between geometries and have now determined visible layers demonstrate similar subsurface topographic features as those revealed by SHARAD. Direct elevation comparisons between individual reflectors and discrete optical layers, while considered necessary for a correlation, are complicated by variations in subsurface structure that exist between the outcrop and the SHARAD tracks, as inferred from our mapping. While a direct correlation has not yet been accomplished, we have confirmed a genetic link between radar reflectors and visible layers; furthermore, we have generalized and improved the techniques for conducting such correlations so this can be undertaken at additional locations.

Fractal-Like Materials Design with Optimized Radiative Properties for High-Efficiency Solar Energy Conversion

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

Ho, Clifford K.; Ortega, Jesus D.; Christian, Joshua Mark

Novel designs to increase light trapping and thermal efficiency of concentrating solar receivers at multiple length scales have been conceived, designed, and tested. The fractal-like geometries and features are introduced at both macro (meters) and meso (millimeters to centimeters) scales. Advantages include increased solar absorptance, reduced thermal emittance, and increased thermal efficiency. Radial and linear structures at the meso (tube shape and geometry) and macro (total receiver geometry and configuration) scales redirect reflected solar radiation toward the interior of the receiver for increased absorptance. Hotter regions within the interior of the receiver can reduce thermal emittance due to reduced localmore » view factors to the environment, and higher concentration ratios can be employed with similar surface irradiances to reduce the effective optical aperture, footprint, and thermal losses. Coupled optical/fluid/thermal models have been developed to evaluate the performance of these designs relative to conventional designs. Modeling results showed that fractal-like structures and geometries can increase the effective solar absorptance by 5 – 20% and the thermal efficiency by several percentage points at both the meso and macro scales, depending on factors such as intrinsic absorptance. Meso-scale prototypes were fabricated using additive manufacturing techniques, and a macro-scale bladed receiver design was fabricated using Inconel 625 tubes. On-sun tests were performed using the solar furnace and solar tower at the National Solar Thermal Test facility. The test results demonstrated enhanced solar absorptance and thermal efficiency of the fractal-like designs.« less

X-Band RF Gun Development

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

Vlieks, Arnold; Dolgashev, Valery; Tantawi, Sami

In support of the MEGa-ray program at LLNL and the High Gradient research program at SLAC, a new X-band multi-cell RF gun is being developed. This gun, similar to earlier guns developed at SLAC for Compton X-ray source program, will be a standing wave structure made of 5.5 cells operating in the pi mode with copper cathode. This gun was designed following criteria used to build SLAC X-band high gradient accelerating structures. It is anticipated that this gun will operate with surface electric fields on the cathode of 200 MeV/m with low breakdown rate. RF will be coupled into themore » structure through a final cell with symmetric duel feeds and with a shape optimized to minimize quadrupole field components. In addition, geometry changes to the original gun, operated with Compton X-ray source, will include a wider RF mode separation, reduced surface electric and magnetic fields.« less

Identifying Few-Molecule Water Clusters with High Precision on Au(111) Surface.

PubMed

Dong, Anning; Yan, Lei; Sun, Lihuan; Yan, Shichao; Shan, Xinyan; Guo, Yang; Meng, Sheng; Lu, Xinghua

2018-06-01

Revealing the nature of a hydrogen-bond network in water structures is one of the imperative objectives of science. With the use of a low-temperature scanning tunneling microscope, water clusters on a Au(111) surface were directly imaged with molecular resolution by a functionalized tip. The internal structures of the water clusters as well as the geometry variations with the increase of size were identified. In contrast to a buckled water hexamer predicted by previous theoretical calculations, our results present deterministic evidence for a flat configuration of water hexamers on Au(111), corroborated by density functional theory calculations with properly implemented van der Waals corrections. The consistency between the experimental observations and improved theoretical calculations not only renders the internal structures of absorbed water clusters unambiguously, but also directly manifests the crucial role of van der Waals interactions in constructing water-solid interfaces.

A novel method of creation capillary structures in metal parts based on using selective laser melting methid of 3D printing technology and surface roughness

NASA Astrophysics Data System (ADS)

Ivanov, Roman A.; Melkikh, Alexey V.

2017-09-01

It has been experimentally proved that it is possible to produce a metal capillary structure with significant capillary action and free shape configuration using selective laser melting. Capillaries are created by dividing the solid detail volume into micro-sized parallel walls with roughness as a result of SLM 3D printing. Experiments are conducted on aluminum powder with particle size in the range of 10-40 µm (,) and distances in 3D model between surfaces incapillary generation zone in the range of 50-200 µm. It is showed that products produced from model with 100 µm gaps have the greatest efficiency of fluid lifting as a result of obtaining stable arrays of capillaries of 20-40 µm in size. Change in the direction of (growing) printingthe product doesn't significantly influence on capillary geometry, but it affects on safety of the structure.

Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory

NASA Astrophysics Data System (ADS)

Maurer, Reinhard J.; Ruiz, Victor G.; Camarillo-Cisneros, Javier; Liu, Wei; Ferri, Nicola; Reuter, Karsten; Tkatchenko, Alexandre

2016-05-01

Adsorption geometry and stability of organic molecules on surfaces are key parameters that determine the observable properties and functions of hybrid inorganic/organic systems (HIOSs). Despite many recent advances in precise experimental characterization and improvements in first-principles electronic structure methods, reliable databases of structures and energetics for large adsorbed molecules are largely amiss. In this review, we present such a database for a range of molecules adsorbed on metal single-crystal surfaces. The systems we analyze include noble-gas atoms, conjugated aromatic molecules, carbon nanostructures, and heteroaromatic compounds adsorbed on five different metal surfaces. The overall objective is to establish a diverse benchmark dataset that enables an assessment of current and future electronic structure methods, and motivates further experimental studies that provide ever more reliable data. Specifically, the benchmark structures and energetics from experiment are here compared with the recently developed van der Waals (vdW) inclusive density-functional theory (DFT) method, DFT + vdWsurf. In comparison to 23 adsorption heights and 17 adsorption energies from experiment we find a mean average deviation of 0.06 Å and 0.16 eV, respectively. This confirms the DFT + vdWsurf method as an accurate and efficient approach to treat HIOSs. A detailed discussion identifies remaining challenges to be addressed in future development of electronic structure methods, for which the here presented benchmark database may serve as an important reference.

Comparison between periodic and stochastic parabolic light trapping structures for thin-film microcrystalline Silicon solar cells.

PubMed

Peters, M; Battaglia, C; Forberich, K; Bläsi, B; Sahraei, N; Aberle, A G

2012-12-31

Light trapping is of very high importance for silicon photovoltaics (PV) and especially for thin-film silicon solar cells. In this paper we investigate and compare theoretically the light trapping properties of periodic and stochastic structures having similar geometrical features. The theoretical investigations are based on the actual surface geometry of a scattering structure, characterized by an atomic force microscope. This structure is used for light trapping in thin-film microcrystalline silicon solar cells. Very good agreement is found in a first comparison between simulation and experimental results. The geometrical parameters of the stochastic structure are varied and it is found that the light trapping mainly depends on the aspect ratio (length/height). Furthermore, the maximum possible light trapping with this kind of stochastic structure geometry is investigated. In a second step, the stochastic structure is analysed and typical geometrical features are extracted, which are then arranged in a periodic structure. Investigating the light trapping properties of the periodic structure, we find that it performs very similar to the stochastic structure, in agreement with reports in literature. From the obtained results we conclude that a potential advantage of periodic structures for PV applications will very likely not be found in the absorption enhancement in the solar cell material. However, uniformity and higher definition in production of these structures can lead to potential improvements concerning electrical characteristics and parasitic absorption, e.g. in a back reflector.

Theory of Advanced Magnetic Divertors

NASA Astrophysics Data System (ADS)

Kotschenreuther, Michael; Valanju, Prashant; Mahajan, Swadesh; Covele, Brent

2013-10-01

The magnetic field structure in the SOL is the most important determinant of divertor physics. A comprehensive analytical and numerical methodology is developed to investigate SOL magnetic fields in the backdrop of two advanced divertor geometries- the X-divertor (XD) proposed and discussed in 2004, and the snowflake divertor (SFD) of 2007-2010. The analysis shows that XD and SFD represent very distinct and readily distinguishable magnetic geometries, epitomized through a differentiating metric, the Divertor Index (DI). In terms of this simple metric, the XD (DI > 1) and the SFD (DI < 1) fall on opposite sides of the standard divertor SD (DI = 1). Amongst other things, DI signifies the rate of convergence (divergence) of the flux surfaces near the divertor plate; the flux surfaces of SFD are more convergent contracting) than the SD while the XD flux surfaces are less convergent, in fact, divergent (flaring). These different SOL magnetics imply different physics, particularly with respect to detachment dynamics. It is also shown that some experiments on NSTX and DIII-D match both the prescription and the predictions of the 2004 XD paper. Work supported under US-DOE projects DE-FG02-04ER54742 and DE-FG02-04ER54754.

Extrinsic curvature, geometric optics, and lamellar order on curved substrates

NASA Astrophysics Data System (ADS)

Kamien, Randall D.; Nelson, David R.; Santangelo, Christian D.; Vitelli, Vincenzo

2009-11-01

When thermal energies are weak, two-dimensional lamellar structures confined on a curved substrate display complex patterns arising from the competition between layer bending and compression in the presence of geometric constraints. We present broad design principles to engineer the geometry of the underlying substrate so that a desired lamellar pattern can be obtained by self-assembly. Two distinct physical effects are identified as key factors that contribute to the interaction between the shape of the underlying surface and the resulting lamellar morphology. The first is a local ordering field for the direction of each individual layer, which tends to minimize its curvature with respect to the three-dimensional embedding. The second is a nonlocal effect controlled by the intrinsic geometry of the surface that forces the normals to the (nearly incompressible) layers to lie on geodesics, leading to caustic formation as in optics. As a result, different surface morphologies with predominantly positive or negative Gaussian curvature can act as converging or diverging lenses, respectively. By combining these ingredients, as one would with different optical elements, complex lamellar morphologies can be obtained. This smectic optometry enables the manipulation of lamellar configurations for the design of materials.

Effect of Heat Input on Geometry of Austenitic Stainless Steel Weld Bead on Low Carbon Steel

NASA Astrophysics Data System (ADS)

Saha, Manas Kumar; Hazra, Ritesh; Mondal, Ajit; Das, Santanu

2018-05-01

Among different weld cladding processes, gas metal arc welding (GMAW) cladding becomes a cost effective, user friendly, versatile method for protecting the surface of relatively lower grade structural steels from corrosion and/or erosion wear by depositing high grade stainless steels onto them. The quality of cladding largely depends upon the bead geometry of the weldment deposited. Weld bead geometry parameters, like bead width, reinforcement height, depth of penetration, and ratios like reinforcement form factor (RFF) and penetration shape factor (PSF) determine the quality of the weld bead geometry. Various process parameters of gas metal arc welding like heat input, current, voltage, arc travel speed, mode of metal transfer, etc. influence formation of bead geometry. In the current experimental investigation, austenite stainless steel (316) weld beads are formed on low alloy structural steel (E350) by GMAW using 100% CO2 as the shielding gas. Different combinations of current, voltage and arc travel speed are chosen so that heat input increases from 0.35 to 0.75 kJ/mm. Nine number of weld beads are deposited and replicated twice. The observations show that weld bead width increases linearly with increase in heat input, whereas reinforcement height and depth of penetration do not increase with increase in heat input. Regression analysis is done to establish the relationship between heat input and different geometrical parameters of weld bead. The regression models developed agrees well with the experimental data. Within the domain of the present experiment, it is observed that at higher heat input, the weld bead gets wider having little change in penetration and reinforcement; therefore, higher heat input may be recommended for austenitic stainless steel cladding on low alloy steel.

Precision of spiral-bevel gears

NASA Technical Reports Server (NTRS)

Litvin, F. L.; Goldrich, R. N.; Coy, J. J.; Zaretsky, E. V.

1982-01-01

The kinematic errors in spiral bevel gear trains caused by the generation of nonconjugate surfaces, by axial displacements of the gears during assembly, and by eccentricity of the assembled gears were determined. One mathematical model corresponds to the motion of the contact ellipse across the tooth surface, (geometry I) and the other along the tooth surface (geometry II). The following results were obtained: (1) kinematic errors induced by errors of manufacture may be minimized by applying special machine settings, the original error may be reduced by order of magnitude, the procedure is most effective for geometry 2 gears, (2) when trying to adjust the bearing contact pattern between the gear teeth for geometry 1 gears, it is more desirable to shim the gear axially; for geometry II gears, shim the pinion axially; (3) the kinematic accuracy of spiral bevel drives are most sensitive to eccentricities of the gear and less sensitive to eccentricities of the pinion. The precision of mounting accuracy and manufacture are most crucial for the gear, and less so for the pinion.

Investigation of Surface Phenomena in Shocked Tin in Converging Geometry

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

Rousculp, Christopher L.; Oro, David Michael; Margolin, Len G.

2015-08-06

There is great interest in the behavior of the free surface of tin under shock loading. While it is known that meso-scale surface imperfections can seed the Richtmyer-Meshkov Instability (RMI) for a surface that is melted on release, much less is known about a tin surface that is solid, but plastically deforming. Here material properties such as shear and yield strength come into play especially in converging geometry. Previous experiments have been driven by direct contact HE. Usually a thin, flat target coupon is fielded with various single-mode, sinusoidal, machined, profiles on the free surface. The free surface is adjacentmore » to either vacuum or an inert receiver gas. Most of these previous driver/target configurations have been nominal planer geometry. With modern HE it has been straightforward to shock tin into melt on release. However it has been challenging to achieve a low enough pressure for solid state on release. Here we propose to extend the existing base of knowledge to include the behavior of the free surface of tin in cylindrical converging geometry. By shock loading a cylindrical tin shell with a magnetically driven cylindrical liner impactor, the free surface evolution can be diagnosed with proton radiography. With the PHELIX capacitor bank, the drive can easily be varied to span the pressure range to achieve solid, mixed, and liquid states on release.« less

Near-Surface and High Resolution Seismic Imaging of the Bennett Thrust Fault in the Indio Mountains of West Texas

NASA Astrophysics Data System (ADS)

Vennemann, Alan

My research investigates the structure of the Indio Mountains in southwest Texas, 34 kilometers southwest of Van Horn, at the UTEP (University of Texas at El Paso) Field Station using newly acquired active-source seismic data. The area is underlain by deformed Cretaceous sedimentary rocks that represent a transgressive sequence nearly 2 km in total stratigraphic thickness. The rocks were deposited in mid Cretaceous extensional basins and later contracted into fold-thrust structures during Laramide orogenesis. The stratigraphic sequence is an analog for similar areas that are ideal for pre-salt petroleum reservoirs, such as reservoirs off the coasts of Brazil and Angola (Li, 2014; Fox, 2016; Kattah, 2017). The 1-km-long 2-D shallow seismic reflection survey that I planned and led during May 2016 was the first at the UTEP Field Station, providing critical subsurface information that was previously lacking. The data were processed with Landmark ProMAX seismic processing software to create a seismic reflection image of the Bennett Thrust Fault and additional imbricate faulting not expressed at the surface. Along the 1-km line, reflection data were recorded with 200 4.5 Hz geophones, using 100 150-gram explosive charges and 490 sledge-hammer blows for sources. A seismic reflection profile was produced using the lower frequency explosive dataset, which was used in the identification of the Bennett Thrust Fault and additional faulting and folding in the subsurface. This dataset provides three possible interpretations for the subsurface geometries of the faulting and folding present. However, producing a seismic reflection image with the higher frequency sledge-hammer sourced dataset for interpretation proved more challenging. While there are no petroleum plays in the Indio Mountains region, imaging and understanding subsurface structural and lithological geometries and how that geometry directs potential fluid flow has implications for other regions with petroleum plays.

Three-Dimensional Molecular Modeling of a Diverse Range of SC Clan Serine Proteases

PubMed Central

Laskar, Aparna; Chatterjee, Aniruddha; Chatterjee, Somnath; Rodger, Euan J.

2012-01-01

Serine proteases are involved in a variety of biological processes and are classified into clans sharing structural homology. Although various three-dimensional structures of SC clan proteases have been experimentally determined, they are mostly bacterial and animal proteases, with some from archaea, plants, and fungi, and as yet no structures have been determined for protozoa. To bridge this gap, we have used molecular modeling techniques to investigate the structural properties of different SC clan serine proteases from a diverse range of taxa. Either SWISS-MODEL was used for homology-based structure prediction or the LOOPP server was used for threading-based structure prediction. The predicted models were refined using Insight II and SCRWL and validated against experimental structures. Investigation of secondary structures and electrostatic surface potential was performed using MOLMOL. The structural geometry of the catalytic core shows clear deviations between taxa, but the relative positions of the catalytic triad residues were conserved. Evolutionary divergence was also exhibited by large variation in secondary structure features outside the core, differences in overall amino acid distribution, and unique surface electrostatic potential patterns between species. Encompassing a wide range of taxa, our structural analysis provides an evolutionary perspective on SC clan serine proteases. PMID:23213528