A Chemical Approach to Understanding Oxide Surface Structure and Reactivity

NASA Astrophysics Data System (ADS)

Enterkin, James Andrew

Transmission electron microscopy and diffraction are powerful tools for solving complex structural problems. They complement other analytical techniques, such as x-ray diffraction, elucidating problems which cannot be solved by other techniques. One area where they are of particularly great value is in the determination of surface structures. The research presented herein uses electron microscopy and diffraction as the primary experimental techniques in the development of a chemistry of surface structures. High-resolution electron microscopy revealed that the La4Cu 3MoO12 structure has turbostratic disorder and a lower symmetry space group (Pm) than was previously found. The refinement of the x-ray data was significantly improved by using a disordered model and the Pm space group. A bond valence analysis confirmed that the disordered structure is the superior model. Strontium titanate, SrTiO3, single crystal surfaces were examined principally via transmission electron diffraction. A homologous series with intergrowths was discovered on the (110) surface of strontium titanate, marking the first time that these important concepts of solid state chemistry have been found at the surface. Atmospheric adsorbates, such as H2O and CO2, were found to help to stabilize undercoordinated surface structures on the (100) surface. It was shown that chemical bonding, bond valence, atomic coordination, and stoichiometry greatly influence the development of surface structures. Additionally, such chemistry based analysis was demonstrated to be able to predict surface structure stability and reactivity. Application of a modified Wulff construction to the observed shape of strontium titanate nanocuboids revealed that the surface structure and particle stoichiometry are interlinked, with control over one allowing equally precise control over the other. Platinum nanoparticles on the strontium titanate nanocuboids were shown via high resolution electron microscopy to have cube-on-cube epitaxy, with the shape of the platinum nanoparticles governed by the Winterbottom construction. Precise modification of the support surface will therefore allow engineering of supported metal particles with precise control over which facets are exposed. These results suggest that control over the support surface chemistry can be used to engineer thermodynamically stable, face selective catalysts.

Buckling analysis of stiff thin films suspended on a substrate with tripod surface relief structure

NASA Astrophysics Data System (ADS)

Yu, Qingmin; Chen, Furong; Li, Ming; Cheng, Huanyu

2017-09-01

A wavy configuration is a simple yet powerful structural design strategy, which has been widely used in flexible and stretchable electronics. A buckled structure created from a prestretch-contact-release process represents an early effort. Substrates with engineered surface relief structures (e.g., rectangular islands or tripod structure) have enabled stretchability to the devices without sacrificing their electric performance (e.g., high areal coverage for LEDs/photovoltaics/batteries/supercapacitors). In particular, the substrate with a tripod surface relief structure allows wrinkled devices to be suspended on a soft tripod substrate. This minimizes the contact area between devices and the deformed substrate, which contributes to a significantly reduced interfacial stress/strain. To uncover the underlying mechanism of such a design, we exploit the energy method to analytically investigate the buckling and postbuckling behaviors of stiff films suspended on a stretchable polymeric substrate with a tripod surface relief structure. Validated by finite element analysis, the predications from such an analytical study elucidate the deformed profile and maximum strain in the buckled and postbuckled stiff thin device films, providing a useful toolkit for future experimental designs.

Structural Analysis of MoS2 and other 2D layered materials using LEEM/LEED-I(V) and STM

NASA Astrophysics Data System (ADS)

Grady, Maxwell; Dai, Zhongwei; Jin, Wencan; Dadap, Jerry; Osgood, Richard; Sadowski, Jerzy; Pohl, Karsten

Layered two-dimensional materials, such as molybdenum disulfide, MoS2, are of interest for the development of many types of novel electronic devices. To fully understand the interfaces between these new materials, the atomic reconstructions at their surfaces must be understood. Low Energy Electron Microscopy and Diffraction, LEEM/ μLEED, present a unique method for rapid material characterization in real space and reciprocal space with high resolution. Here we present a study of the surface structure of 2H-MoS2 using μLEED intensity-voltage analysis. To aid this analysis, software is under development to automate the procedure of extracting I(V) curves from LEEM and LEED data. When matched with computational modeling, this data provides information with angstrom level resolution concerning the three dimensional atomic positions. We demonstrate that the surface structure of bulk MoS2 is distinct from the bulk crystal structure and exhibits a smaller surface relaxation at 320K compared to previous results at 95K. Furthermore, suspended monolayer samples exhibit large interlayer relaxations compared to the bulk surface termination. Further techniques for refining layer thickness determination are under development.

A Simple and Accurate Analysis of Conductivity Loss in Millimeter-Wave Helical Slow-Wave Structures

NASA Astrophysics Data System (ADS)

Datta, S. K.; Kumar, Lalit; Basu, B. N.

2009-04-01

Electromagnetic field analysis of a helix slow-wave structure was carried out and a closed form expression was derived for the inductance per unit length of the transmission-line equivalent circuit of the structure, taking into account the actual helix tape dimensions and surface current on the helix over the actual metallic area of the tape. The expression of the inductance per unit length, thus obtained, was used for estimating the increment in the inductance per unit length caused due to penetration of the magnetic flux into the conducting surfaces following Wheeler’s incremental inductance rule, which was subsequently interpreted for the attenuation constant of the propagating structure. The analysis was computationally simple and accurate, and accrues the accuracy of 3D electromagnetic analysis by allowing the use of dispersion characteristics obtainable from any standard electromagnetic modeling. The approach was benchmarked against measurement for two practical structures, and excellent agreement was observed. The analysis was subsequently applied to demonstrate the effects of conductivity on the attenuation constant of a typical broadband millimeter-wave helical slow-wave structure with respect to helix materials and copper plating on the helix, surface finish of the helix, dielectric loading effect and effect of high temperature operation - a comparative study of various such aspects are covered.

Software Package Completed for Alloy Design at the Atomic Level

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo H.; Noebe, Ronald D.; Abel, Phillip B.; Good, Brian S.

2001-01-01

As a result of a multidisciplinary effort involving solid-state physics, quantum mechanics, and materials and surface science, the first version of a software package dedicated to the atomistic analysis of multicomponent systems was recently completed. Based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of alloy and surface energetics, this package includes modules devoted to the analysis of many essential features that characterize any given alloy or surface system, including (1) surface structure analysis, (2) surface segregation, (3) surface alloying, (4) bulk crystalline material properties and atomic defect structures, and (5) thermal processes that allow us to perform phase diagram calculations. All the modules of this Alloy Design Workbench 1.0 (ADW 1.0) are designed to run in PC and workstation environments, and their operation and performance are substantially linked to the needs of the user and the specific application.

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.

Analysis of structural changes in active site of luciferase adsorbed on nanofabricated hydrophilic Si surface by molecular-dynamics simulations

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

Nishiyama, Katsuhiko; Hoshino, Tadatsugu; Graduate School of Pharmaceutical Sciences, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522

2007-05-21

Interactions between luciferase and a nanofabricated hydrophilic Si surface were explored by molecular-dynamics simulations. The structural changes in the active-site residues, the residues affecting the luciferin binding, and the residues affecting the bioluminescence color were smaller on the nanofabricated hydrophilic Si surface than on both a hydrophobic Si surface and a hydrophilic Si surface. The nanofabrication and wet-treatment techniques are expected to prevent the decrease in activity of luciferase on the Si surface.

Temporal Structure of Support Surface Translations Drive the Temporal Structure of Postural Control During Standing

PubMed Central

Rand, Troy J.; Myers, Sara A.; Kyvelidou, Anastasia; Mukherjee, Mukul

2015-01-01

A healthy biological system is characterized by a temporal structure that exhibits fractal properties and is highly complex. Unhealthy systems demonstrate lowered complexity and either greater or less predictability in the temporal structure of a time series. The purpose of this research was to determine if support surface translations with different temporal structures would affect the temporal structure of the center of pressure (COP) signal. Eight healthy young participants stood on a force platform that was translated in the anteroposterior direction for input conditions of varying complexity: white noise, pink noise, brown noise, and sine wave. Detrended fluctuation analysis was used to characterize the long-range correlations of the COP time series in the AP direction. Repeated measures ANOVA revealed differences among conditions (P < .001). The less complex support surface translations resulted in a less complex COP compared to normal standing. A quadratic trend analysis demonstrated an inverted-u shape across an increasing order of predictability of the conditions (P < .001). The ability to influence the complexity of postural control through support surface translations can have important implications for rehabilitation. PMID:25994281

Principal component analysis for surface reflection components and structure in facial images and synthesis of facial images for various ages

NASA Astrophysics Data System (ADS)

Hirose, Misa; Toyota, Saori; Ojima, Nobutoshi; Ogawa-Ochiai, Keiko; Tsumura, Norimichi

2017-08-01

In this paper, principal component analysis is applied to the distribution of pigmentation, surface reflectance, and landmarks in whole facial images to obtain feature values. The relationship between the obtained feature vectors and the age of the face is then estimated by multiple regression analysis so that facial images can be modulated for woman aged 10-70. In a previous study, we analyzed only the distribution of pigmentation, and the reproduced images appeared to be younger than the apparent age of the initial images. We believe that this happened because we did not modulate the facial structures and detailed surfaces, such as wrinkles. By considering landmarks and surface reflectance over the entire face, we were able to analyze the variation in the distributions of facial structures and fine asperity, and pigmentation. As a result, our method is able to appropriately modulate the appearance of a face so that it appears to be the correct age.

Digital 3D Microstructure Analysis of Concrete using X-Ray Micro Computed Tomography SkyScan 1173: A Preliminary Study

NASA Astrophysics Data System (ADS)

Latief, F. D. E.; Mohammad, I. H.; Rarasati, A. D.

2017-11-01

Digital imaging of a concrete sample using high resolution tomographic imaging by means of X-Ray Micro Computed Tomography (μ-CT) has been conducted to assess the characteristic of the sample’s structure. A standard procedure of image acquisition, reconstruction, image processing of the method using a particular scanning device i.e., the Bruker SkyScan 1173 High Energy Micro-CT are elaborated. A qualitative and a quantitative analysis were briefly performed on the sample to deliver some basic ideas of the capability of the system and the bundled software package. Calculation of total VOI volume, object volume, percent of object volume, total VOI surface, object surface, object surface/volume ratio, object surface density, structure thickness, structure separation, total porosity were conducted and analysed. This paper should serve as a brief description of how the device can produce the preferred image quality as well as the ability of the bundled software packages to help in performing qualitative and quantitative analysis.

Determining Tooth Occlusal Surface Relief Indicator by Means of Automated 3d Shape Analysis

NASA Astrophysics Data System (ADS)

Gaboutchian, A. V.; Knyaz, V. A.

2017-05-01

Determining occlusal surface relief indicator plays an important role in odontometric tooth shape analysis. An analysis of the parameters of surface relief indicators provides valuable information about closure of dental arches (occlusion) and changes in structure of teeth in lifetime. Such data is relevant for dentistry or anthropology applications. Descriptive techniques commonly used for surface relief evaluation have limited precision which, as a result, does not provide for reliability of conclusions about structure and functioning of teeth. Parametric techniques developed for such applications need special facilities and are time-consuming which limits their spread and ease to access. Nevertheless the use of 3D models, obtained by photogrammetric techniques, allows attaining required measurements accuracy and has a potential for process automation. We introduce new approaches for determining tooth occlusal surface relief indicator and provide data on efficiency in use of different indicators in natural attrition evaluation.

Structure of high-index GaAs surfaces - the discovery of the stable GaAs(2511) surface

NASA Astrophysics Data System (ADS)

Jacobi, K.; Geelhaar, L.; Márquez, J.

We present a brief overview of surface structures of high-index GaAs surfaces, putting emphasis on recent progress in our own laboratory. By adapting a commercial scanning tunneling microscope (STM) to our molecular beam epitaxy and ultra high vacuum analysis chamber system, we have been able to atomically resolve the GaAs( {1} {1} {3})B(8 ×1), (114)Aα2(2×1), (137), (3715), and (2511) surface structures. In cooperation with P. Kratzer and M. Scheffler from the Theory Department of the Fritz-Haber Institute we determined the structure of some of these surfaces by comparing total-energy calculations and STM image simulations with the atomically resolved STM images. We present the results for the {112}, {113}, and {114} surfaces. Then we describe what led us to proceed into the inner parts of the stereographic triangle and to discover the hitherto unknown stable GaAs(2511) surface.

Thermal structures and materials for high-speed flight; Collection of Papers of the 1st Thermal Structures Conference, University of Virginia, Charlottesville, Nov. 13-15, 1990

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

Thornton, E.A.

1992-01-01

The present conference discusses aerobrake-maneuver vehicle aerothermodynamics, aerothermal issues in the structural design of high speed vehicles, laser surface-alloying of superlight metals with ceramic surfaces, high-temperature Al alloys for supersonic and hypersonic vehicles, advanced metallics for high temperature airframes, novel materials for engine applications, and the development status of computational methods for high temperature structural design. Also discussed are a transient thermal-structural analysis using adaptive unstructured remeshing and mesh movement, the FEM thermoviscoplastic analysis of aerospace structures, hot-structures testing techniques, a thermal-structural analysis of a carbon-carbon/refractory metal heat pipe-cooled leading edge, dynamic effects in thermoviscoplastic structures, microlevel thermal effects inmore » metal-matrix composites (MMCs), thermomechanical effects in the plasma spray manufacture of MMC monotapes, and intelligent HIP processing. Most of the presentations at this conference were abstracted previously (see A91-16027 to A91-16047).« less

Laser irradiation effects on the surface, structural and mechanical properties of Al-Cu alloy 2024

NASA Astrophysics Data System (ADS)

Yousaf, Daniel; Bashir, Shazia; Akram, Mahreen; kalsoom, Umm-i.-; Ali, Nisar

2014-02-01

Laser irradiation effects on surface, structural and mechanical properties of Al-Cu-Mg alloy (Al-Cu alloy 2024) have been investigated. The specimens were irradiated for various fluences ranging from 3.8 to 5.5 J/cm2 using an Excimer (KrF) laser (248 nm, 18 ns, 30 Hz) under vacuum environment. The surface and structural modifications of the irradiated targets have been investigated by scanning electron microscope (SEM) and X-ray diffractometer (XRD), respectively. SEM analysis reveals the formation of micro-sized craters along the growth of periodic surface structures (ripples) at their peripheries. The size of the craters initially increases and then decreases by increasing the laser fluence. XRD analysis shows an anomalous trend in the peak intensity and crystallite size of the specimen irradiated for various fluences. A universal tensile testing machine and Vickers microhardness tester were employed in order to investigate the mechanical properties of the irradiated targets. The changes in yield strength, ultimate tensile strength and microhardness were found to be anomalous with increasing laser fluences. The changes in the surface and structural properties of Al-Cu alloy 2024 after laser irradiation have been associated with the changes in mechanical properties.

Restricted mobility of side chains on concave surfaces of solenoid proteins may impart heightened potential for intermolecular interactions.

PubMed

Ramya, L; Gautham, N; Chaloin, Laurent; Kajava, Andrey V

2015-09-01

Significant progress has been made in the determination of the protein structures with their number today passing over a hundred thousand structures. The next challenge is the understanding and prediction of protein-protein and protein-ligand interactions. In this work we address this problem by analyzing curved solenoid proteins. Many of these proteins are considered as "hub molecules" for their high potential to interact with many different molecules and to be a scaffold for multisubunit protein machineries. Our analysis of these structures through molecular dynamics simulations reveals that the mobility of the side-chains on the concave surfaces of the solenoids is lower than on the convex ones. This result provides an explanation to the observed preferential binding of the ligands, including small and flexible ligands, to the concave surface of the curved solenoid proteins. The relationship between the landscapes and dynamic properties of the protein surfaces can be further generalized to the other types of protein structures and eventually used in the computer algorithms, allowing prediction of protein-ligand interactions by analysis of protein surfaces. © 2015 Wiley Periodicals, Inc.

Surface structure of bulk 2H-MoS2(0001) and exfoliated suspended monolayer MoS2: A selected area low energy electron diffraction study

NASA Astrophysics Data System (ADS)

Dai, Zhongwei; Jin, Wencan; Grady, Maxwell; Sadowski, Jerzy T.; Dadap, Jerry I.; Osgood, Richard M.; Pohl, Karsten

2017-06-01

We have used selected area low energy electron diffraction intensity-voltage (μLEED-IV) analysis to investigate the surface structure of crystalline 2H molybdenum disulfide (MoS2) and mechanically exfoliated and suspended monolayer MoS2. Our results show that the surface structure of bulk 2H-MoS2 is distinct from its bulk and that it has a slightly smaller surface relaxation at 320 K than previously reported at 95 K. We concluded that suspended monolayer MoS2 shows a large interlayer relaxation compared to the MoS2 sandwich layer terminating the bulk surface. The Debye temperature of MoS2 was concluded to be about 600 K, which agrees with a previous theoretical study. Our work has shown that the dynamical μLEED-IV analysis performed with a low energy electron microscope (LEEM) is a powerful technique for determination of the local atomic structures of currently extensively studied two-dimensional (2-D) materials.

Surface structure of bulk 2H-MoS 2 (0001) and exfoliated suspended monolayer MoS 2 : A selected area low energy electron diffraction study

DOE PAGES

Dai, Zhongwei; Jin, Wencan; Grady, Maxwell; ...

2017-02-10

Here, we used selected area low energy electron diffraction intensity-voltage (μLEED-IV) analysis to investigate the surface structure of crystalline 2H molybdenum disulfide (MoS 2) and mechanically exfoliated and suspended monolayer MoS 2. Our results show that the surface structure of bulk 2H-MoS 2 is distinct from its bulk and that it has a slightly smaller surface relaxation at 320 K than previously reported at 95 K. We concluded that suspended monolayer MoS 2 shows a large interlayer relaxation compared to the MoS 2 sandwich layer terminating the bulk surface. The Debye temperature of MoS 2 was concluded to be aboutmore » 600 K, which agrees with a previous theoretical study. Our work has shown that the dynamical μLEED-IV analysis performed with a low energy electron microscope (LEEM) is a powerful technique for determination of the local atomic structures of currently extensively studied two-dimensional (2-D) materials.« less

A Parametric Rosetta Energy Function Analysis with LK Peptides on SAM Surfaces.

PubMed

Lubin, Joseph H; Pacella, Michael S; Gray, Jeffrey J

2018-05-08

Although structures have been determined for many soluble proteins and an increasing number of membrane proteins, experimental structure determination methods are limited for complexes of proteins and solid surfaces. An economical alternative or complement to experimental structure determination is molecular simulation. Rosetta is one software suite that models protein-surface interactions, but Rosetta is normally benchmarked on soluble proteins. For surface interactions, the validity of the energy function is uncertain because it is a combination of independent parameters from energy functions developed separately for solution proteins and mineral surfaces. Here, we assess the performance of the RosettaSurface algorithm and test the accuracy of its energy function by modeling the adsorption of leucine/lysine (LK)-repeat peptides on methyl- and carboxy-terminated self-assembled monolayers (SAMs). We investigated how RosettaSurface predictions for this system compare with the experimental results, which showed that on both surfaces, LK-α peptides folded into helices and LK-β peptides held extended structures. Utilizing this model system, we performed a parametric analysis of Rosetta's Talaris energy function and determined that adjusting solvation parameters offered improved predictive accuracy. Simultaneously increasing lysine carbon hydrophilicity and the hydrophobicity of the surface methyl head groups yielded computational predictions most closely matching the experimental results. De novo models still should be interpreted skeptically unless bolstered in an integrative approach with experimental data.

Structural analysis of strontium in human teeth treated with surface pre-reacted glass-ionomer filler eluate by using extended X-ray absorption fine structure analysis.

PubMed

Uo, Motohiro; Wada, Takahiro; Asakura, Kiyotaka

2017-03-31

The bioactive effects of strontium released from surface pre-reacted glass-ionomer (S-PRG) fillers may aid in caries prevention. In this study, the local structure of strontium taken up by teeth was estimated by extended X-ray absorption fine structure analysis. Immersing teeth into S-PRG filler eluate increased the strontium content in enamel and dentin by more than 100 times. The local structure of strontium in enamel and dentin stored in distilled water was the same as that in synthetic strontium-containing hydroxyapatite (SrHAP). Moreover, the local structure of strontium in enamel and dentin after immersion in the S-PRG filler eluate was also similar to that of SrHAP. After immersion in the S-PRG filler eluate, strontium was suggested to be incorporated into the hydroxyapatite (HAP) of enamel and dentin at the calcium site in HAP.

Core-Level Photoemission Investigations of the CADMIUM-TELLURIDE(100) and INDIUM-ANTIMONY(100) Surface and Interfacial Structures.

NASA Astrophysics Data System (ADS)

John, Peter James

1988-12-01

Photoemission techniques, utilizing a synchrotron light source, were used to analyze the clean (100) surfaces of the zinc-blende semiconductor materials CdTe and InSb. Several interfacial systems involving the surfaces of these materials were also studied, including the CdTe(100)-Ag interface, the CdTe(100)-Sb system, and the InSb(100)-Sn interface. High -energy electron diffraction was also employed to acquire information about of surface structure. A one-domain (2x1) structure was observed for the CdTe(100) surface. Analysis of photoemission spectra of the Cd 4d core level for this surface structure revealed two components resulting from Cd surface atoms. The total intensity of these components accounts for a full monolayer of Cd atoms on the surface. A structural model is discussed commensurate with these results. Photoemission spectra of the Cd and Te 4d core levels indicate that Ag or Sb deposited on the CdTe(100)-(2x1) surface at room temperature do not bound strongly to the surface Cd atoms. The room temperature growth characteristics for these two elements on the CdTe(100)-(2x1) are discussed. The growth at elevated substrate temperatures was also studied for Sb deposition. The InSb(100) surface differed from the CdTe(100) surface. Using molecular beam epitaxy, several structures could be generated for the InSb(100) surface, including a c(8x2), a c(4x4), an asymmetric (1x3), a symmetric (1x3), and a (1x1). Analysis of photoemission intensities and line shapes indicates that the c(4x4) surface is terminated with 1{3 over 4} monolayers of Sb atoms. The c(8x2) surface is found to be terminated with {3over 4} monolayer of In atoms. Structural models for both of these surfaces are proposed based upon the photoemission results and upon models of the similar GaAs(100) structures. The room temperature growth characteristics of grey Sn on the InSb(100)-c(4x4) and InSb(100)-c(8x2) surfaces were studied with photoemission. The discontinuity in the valence band maximum for this semiconductor heterojunction system is measured to be 0.40 eV, independent of the starting surface structure and stoichiometry. This result is reconciled with theoretical predictions for heterostructure behavior.

Exploring contribution of intermolecular interactions in supramolecular layered assembly of naphthyridine co-crystals: Insights from Hirshfeld surface analysis of their crystalline states

NASA Astrophysics Data System (ADS)

Seth, Saikat Kumar; Das, Nirmal Kumar; Aich, Krishnendu; Sen, Debabrata; Fun, Hoong-Kun; Goswami, Shyamaprasad

2013-09-01

Co-crystals of 1a and 1b have been prepared by slow evaporation of the solutions of mixtures of 2,7-dimethyl-1,8-naphthyridine (1), urea (a) and thiourea (b). The structures of the complexes are determined by the single crystal X-ray diffraction and a detailed investigation of the crystal packing and classification of intermolecular interactions is presented by means of Hirshfeld surface analysis which is of considerable current interest in crystal engineering. The X-ray study reveals that the co-crystal formers are envisioned to produce N-H⋯N hydrogen bond as well as N-H⋯O/N-H⋯S pair-wise hydrogen bonds and also the weaker aromatic π⋯π interactions which cooperatively take part in the crystal packing. The recurring feature of the self-assembly in the compounds is the appearance of the molecular ribbon through multiple hydrogen bonding which are further stacked into molecular layers by π⋯π stacking interactions. Hirshfeld surface analysis for visually analyzing intermolecular interactions in crystal structures employing molecular surface contours and 2D Fingerprint plots have been used to examine molecular shapes. Crystal structure analysis supported with the Hirshfeld surface and fingerprint plots enabled the identification of the significant intermolecular interactions.

Variable-Domain Displacement Transfer Functions for Converting Surface Strains into Deflections for Structural Deformed Shape Predictions

NASA Technical Reports Server (NTRS)

Ko, William L.; Fleischer, Van Tran

2015-01-01

Variable-Domain Displacement Transfer Functions were formulated for shape predictions of complex wing structures, for which surface strain-sensing stations must be properly distributed to avoid jointed junctures, and must be increased in the high strain gradient region. Each embedded beam (depth-wise cross section of structure along a surface strain-sensing line) was discretized into small variable domains. Thus, the surface strain distribution can be described with a piecewise linear or a piecewise nonlinear function. Through discretization, the embedded beam curvature equation can be piece-wisely integrated to obtain the Variable-Domain Displacement Transfer Functions (for each embedded beam), which are expressed in terms of geometrical parameters of the embedded beam and the surface strains along the strain-sensing line. By inputting the surface strain data into the Displacement Transfer Functions, slopes and deflections along each embedded beam can be calculated for mapping out overall structural deformed shapes. A long tapered cantilever tubular beam was chosen for shape prediction analysis. The input surface strains were analytically generated from finite-element analysis. The shape prediction accuracies of the Variable- Domain Displacement Transfer Functions were then determined in light of the finite-element generated slopes and deflections, and were fofound to be comparable to the accuracies of the constant-domain Displacement Transfer Functions

Effect of abrasive water jet on the structure of the surface layer of Al-Mg alloy

NASA Astrophysics Data System (ADS)

Tabatchikova, T. I.; Tereshchenko, N. A.; Yakovleva, I. L.; Gudnev, N. Z.

2017-09-01

Optical, scanning, and transmission electron microscopy methods, and X-ray diffraction analysis have been used to study the changes in the structure and the microhardness in the surface layer of the Al-Mg (5.8-6.8 wt %) alloy after water jet cutting. The dislocation density, the sizes of coherent scattering regions, and microdistortions have been determined. The transformation of the fine structure has been revealed in the displacement from the alloy volume to the abrasive-waterjet cutting surface.

Nonlinear Structural Analysis Methodology and Dynamics Scaling of Inflatable Parabolic Reflector Antenna Concepts

NASA Technical Reports Server (NTRS)

Sreekantamurthy, Tham; Gaspar, James L.; Mann, Troy; Behun, Vaughn; Pearson, James C., Jr.; Scarborough, Stephen

2007-01-01

Ultra-light weight and ultra-thin membrane inflatable antenna concepts are fast evolving to become the state-of-the-art antenna concepts for deep-space applications. NASA Langley Research Center has been involved in the structural dynamics research on antenna structures. One of the goals of the research is to develop structural analysis methodology for prediction of the static and dynamic response characteristics of the inflatable antenna concepts. This research is focused on the computational studies to use nonlinear large deformation finite element analysis to characterize the ultra-thin membrane responses of the antennas. Recently, structural analyses have been performed on a few parabolic reflector antennas of varying size and shape, which are referred in the paper as 0.3 meters subscale, 2 meters half-scale, and 4 meters full-scale antenna. The various aspects studied included nonlinear analysis methodology and solution techniques, ways to speed convergence in iterative methods, the sensitivities of responses with respect to structural loads, such as inflation pressure, gravity, and pretension loads in the ground and in-space conditions, and the ultra-thin membrane wrinkling characteristics. Several such intrinsic aspects studied have provided valuable insight into evaluation of structural characteristics of such antennas. While analyzing these structural characteristics, a quick study was also made to assess the applicability of dynamics scaling of the half-scale antenna. This paper presents the details of the nonlinear structural analysis results, and discusses the insight gained from the studies on the various intrinsic aspects of the analysis methodology. The predicted reflector surface characteristics of the three inflatable ultra-thin membrane parabolic reflector antenna concepts are presented as easily observable displacement fringe patterns with associated maximum values, and normal mode shapes and associated frequencies. Wrinkling patterns are presented to show how surface wrinkle progress with increasing tension loads. Antenna reflector surface accuracies were found to be very much dependent on the type and size of the antenna, the reflector surface curvature, reflector membrane supports in terms of spacing of catenaries, as well as the amount of applied load.

Analysis and modification of defective surface aggregates on PCDTBT:PCBM solar cell blends using combined Kelvin probe, conductive and bimodal atomic force microscopy

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

Noh, Hanaul; Diaz, Alfredo J.; Solares, Santiago D.

Organic photovoltaic systems comprising donor polymers and acceptor fullerene derivatives are attractive for inexpensive energy harvesting. Extensive research on polymer solar cells has provided insight into the factors governing device-level efficiency and stability. However, the detailed investigation of nanoscale structures is still challenging. Here we demonstrate the analysis and modification of unidentified surface aggregates. The aggregates are characterized electrically by Kelvin probe force microscopy and conductive atomic force microscopy (C-AFM), whereby the correlation between local electrical potential and current confirms a defective charge transport. Bimodal AFM modification confirms that the aggregates exist on top of the solar cell structure, andmore » is used to remove them and to reveal the underlying active layer. The systematic analysis of the surface aggregates suggests that the structure consists of PCBM molecules.« less

Analysis and modification of defective surface aggregates on PCDTBT:PCBM solar cell blends using combined Kelvin probe, conductive and bimodal atomic force microscopy

DOE PAGES

Noh, Hanaul; Diaz, Alfredo J.; Solares, Santiago D.

2017-03-08

Organic photovoltaic systems comprising donor polymers and acceptor fullerene derivatives are attractive for inexpensive energy harvesting. Extensive research on polymer solar cells has provided insight into the factors governing device-level efficiency and stability. However, the detailed investigation of nanoscale structures is still challenging. Here we demonstrate the analysis and modification of unidentified surface aggregates. The aggregates are characterized electrically by Kelvin probe force microscopy and conductive atomic force microscopy (C-AFM), whereby the correlation between local electrical potential and current confirms a defective charge transport. Bimodal AFM modification confirms that the aggregates exist on top of the solar cell structure, andmore » is used to remove them and to reveal the underlying active layer. The systematic analysis of the surface aggregates suggests that the structure consists of PCBM molecules.« less

Analysis and modification of defective surface aggregates on PCDTBT:PCBM solar cell blends using combined Kelvin probe, conductive and bimodal atomic force microscopy

PubMed Central

Noh, Hanaul; Diaz, Alfredo J

2017-01-01

Organic photovoltaic systems comprising donor polymers and acceptor fullerene derivatives are attractive for inexpensive energy harvesting. Extensive research on polymer solar cells has provided insight into the factors governing device-level efficiency and stability. However, the detailed investigation of nanoscale structures is still challenging. Here we demonstrate the analysis and modification of unidentified surface aggregates. The aggregates are characterized electrically by Kelvin probe force microscopy and conductive atomic force microscopy (C-AFM), whereby the correlation between local electrical potential and current confirms a defective charge transport. Bimodal AFM modification confirms that the aggregates exist on top of the solar cell structure, and is used to remove them and to reveal the underlying active layer. The systematic analysis of the surface aggregates suggests that the structure consists of PCBM molecules. PMID:28382247

Investigation of the Effect of Dimple Bionic Nonsmooth Surface on Tire Antihydroplaning.

PubMed

Zhou, Haichao; Wang, Guolin; Ding, Yangmin; Yang, Jian; Zhai, Huihui

2015-01-01

Inspired by the idea that bionic nonsmooth surfaces (BNSS) reduce fluid adhesion and resistance, the effect of dimple bionic nonsmooth structure arranged in tire circumferential grooves surface on antihydroplaning performance was investigated by using Computational Fluid Dynamics (CFD). The physical model of the object (model of dimple bionic nonsmooth surface distribution, hydroplaning model) and SST k - ω turbulence model are established for numerical analysis of tire hydroplaning. By virtue of the orthogonal table L16(4(5)), the parameters of dimple bionic nonsmooth structure design compared to the smooth structure were analyzed, and the priority level of the experimental factors as well as the best combination within the scope of the experiment was obtained. The simulation results show that dimple bionic nonsmooth structure can reduce water flow resistance by disturbing the eddy movement in boundary layers. Then, optimal type of dimple bionic nonsmooth structure is arranged on the bottom of tire circumferential grooves for hydroplaning performance analysis. The results show that the dimple bionic nonsmooth structure effectively decreases the tread hydrodynamic pressure when driving on water film and increases the tire hydroplaning velocity, thus improving tire antihydroplaning performance.

Investigation of the Effect of Dimple Bionic Nonsmooth Surface on Tire Antihydroplaning

PubMed Central

Zhou, Haichao; Wang, Guolin; Ding, Yangmin; Yang, Jian; Zhai, Huihui

2015-01-01

Inspired by the idea that bionic nonsmooth surfaces (BNSS) reduce fluid adhesion and resistance, the effect of dimple bionic nonsmooth structure arranged in tire circumferential grooves surface on antihydroplaning performance was investigated by using Computational Fluid Dynamics (CFD). The physical model of the object (model of dimple bionic nonsmooth surface distribution, hydroplaning model) and SST k − ω turbulence model are established for numerical analysis of tire hydroplaning. By virtue of the orthogonal table L16(45), the parameters of dimple bionic nonsmooth structure design compared to the smooth structure were analyzed, and the priority level of the experimental factors as well as the best combination within the scope of the experiment was obtained. The simulation results show that dimple bionic nonsmooth structure can reduce water flow resistance by disturbing the eddy movement in boundary layers. Then, optimal type of dimple bionic nonsmooth structure is arranged on the bottom of tire circumferential grooves for hydroplaning performance analysis. The results show that the dimple bionic nonsmooth structure effectively decreases the tread hydrodynamic pressure when driving on water film and increases the tire hydroplaning velocity, thus improving tire antihydroplaning performance. PMID:27018311

Effect of nitrogen plasma afterglow on the surface charge effect resulted during XPS surface analysis of amorphous carbon nitride thin films

NASA Astrophysics Data System (ADS)

Kayed, Kamal

2018-06-01

The aim of this paper is to investigate the relationship between the micro structure and the surface charge effect resulted during XPS surface analysis of amorphous carbon nitride thin films prepared by laser ablation method. The study results show that the charge effect coefficient (E) is not just a correction factor. We found that the changes in this coefficient value due to incorporation of nitrogen atoms into the carbon network are related to the spatial configurations of the sp2 bonded carbon atoms, order degree and sp2 clusters size. In addition, results show that the curve E vs. C(sp3)-N is a characteristic curve of the micro structure. This means that using this curve makes it easy to sorting the samples according to the micro structure (hexagonal rings or chains).

Structure determination of a multilayer with an island-like overlayer using hard x-ray photoelectron spectroscopy

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

Isomura, N., E-mail: isomura@mosk.tytlabs.co.jp; Kataoka, K.; Horibuchi, K.

We use hard X-ray photoelectron spectroscopy (HAXPES) to obtain the surface structure of a multilayer Au/SiO{sub 2}/Si substrate sample with an island-like overlayer. Photoelectron intensities are measured as a function of incident photon energy (PE) and take-off angle (TOA, measured from the sample surface). The Au layer coverage and Au and SiO{sub 2} layer thicknesses are obtained by the PE dependence, and are used for the following TOA analysis. The Au island lateral width in the cross section is obtained by the TOA dependence, including information about surface roughness, in consideration of the island shadowing at small TOAs. In bothmore » cases, curve-fitting analysis is conducted. The surface structure, which consists of layer thicknesses, overlayer coverage and island width, is determined nondestructively by a combination of PE and TOA dependent HAXPES measurements.« less

Local Fine Structural Insight into Mechanism of Electrochemical Passivation of Titanium.

PubMed

Wang, Lu; Yu, Hongying; Wang, Ke; Xu, Haisong; Wang, Shaoyang; Sun, Dongbai

2016-07-20

Electrochemically formed passive film on titanium in 1.0 M H2SO4 solution and its thickness, composition, chemical state, and local fine structure are examined by Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), and X-ray absorption fine structure. AES analysis reveals that the thickness and composition of oxide film are proportional to the reciprocal of current density in potentiodynamic polarization. XPS depth profiles of the chemical states of titanium exhibit the coexistence of various valences cations in the surface. Quantitative X-ray absorption near edge structure analysis of the local electronic structure of the topmost surface (∼5.0 nm) shows that the ratio of [TiO2]/[Ti2O3] is consistent with that of passivation/dissolution of electrochemical activity. Theoretical calculation and analysis of extended X-ray absorption fine structure spectra at Ti K-edge indicate that both the structures of passivation and dissolution are distorted caused by the appearance of two different sites of Ti-O and Ti-Ti. And the bound water in the topmost surface plays a vital role in structural disorder confirmed by XPS. Overall, the increase of average Ti-O coordination causes the electrochemical passivation, and the dissolution is due to the decrease of average Ti-Ti coordination. The structural variations of passivation in coordination number and interatomic distance are in good agreement with the prediction of point defect model.

Supramolecular structures on silica surfaces and their adsorptive properties.

PubMed

Belyakov, Vladimir N; Belyakova, Lyudmila A; Varvarin, Anatoly M; Khora, Olexandra V; Vasilyuk, Sergei L; Kazdobin, Konstantin A; Maltseva, Tetyana V; Kotvitskyy, Alexey G; Danil de Namor, Angela F

2005-05-01

The study of adsorptive and chemical immobilization of beta-cyclodextrin on a surface of hydroxylated silicas with various porous structure is described. Using IR spectroscopy, thermal gravimetrical analysis with a programmed heating, and chemical analysis of the silica surface, it is shown that the process of adsorption-desorption of beta-cyclodextrin depends on the porous structure of the silica. The reaction of esterification was used for chemical grafting of beta-cyclodextrin on the surface of hydroxylated silicas. Hydrolytic stability of silicas chemically modified by beta-cyclodextrin apparently is explained by simultaneous formation of chemical and hydrogen bonds between surface silanol groups and hydroxyl groups of beta-cyclodextrin. The uptake of the cations Cu(II), Cd(II), and Pb(II) and the anions Cr(VI) and As(V) by silicas modified with beta-cyclodextrin is investigated as a function of equilibrium ion concentrations. The increase of ion uptake and selectivity of ion extraction in comparison with starting silicas is established. It is due to the formation of surface inclusion complexes of the "host-guest" type in which one molecule of beta-cyclodextrin interacts simultaneously with several ions.

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.

Controllability of Surface Water Networks

NASA Astrophysics Data System (ADS)

Riasi, M. Sadegh; Yeghiazarian, Lilit

2017-12-01

To sustainably manage water resources, we must understand how to control complex networked systems. In this paper, we study surface water networks from the perspective of structural controllability, a concept that integrates classical control theory with graph-theoretic formalism. We present structural controllability theory and compute four metrics: full and target controllability, control centrality and control profile (FTCP) that collectively determine the structural boundaries of the system's control space. We use these metrics to answer the following questions: How does the structure of a surface water network affect its controllability? How to efficiently control a preselected subset of the network? Which nodes have the highest control power? What types of topological structures dominate controllability? Finally, we demonstrate the structural controllability theory in the analysis of a wide range of surface water networks, such as tributary, deltaic, and braided river systems.

Photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

NASA Astrophysics Data System (ADS)

Nelson, A. J.; Lee, J.-S.; Stanford, J. A.; Grant, W. K.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Swanberg, E. L.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Kim, H.; Cirignano, L. J.; Shah, K.

2013-09-01

Device-grade TlBr was subjected to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. Samples of as polished TlBr were treated separately with 2%Br:MeOH, 10%HF, 10%HCl and 96%SOCl2 solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry. Results suggest anion substitution at the surface with subsequent shallow heterojunction formation. Surface chemistry and valence band electronic structure were further correlated with the goal of optimizing the long-term stability and radiation response.

New Generation Materials and Structures for Nanophotonics and Nanoelectronics

DTIC Science & Technology

2006-04-30

been investigated using thermogravimetric analysis and FTIR spectroscopy. The nanoparticles appear to have excess surfactants on their surface, but...processes. We continued analysis of the vibrational modes of the InP/II- VI core-shell nanoparticles determined by IR and Raman studies, and initiated...photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), BET surface area analysis , transmission electron microscopy (TEM), and SQUID magnetometry. In

Study of the correlation parameters of the surface structure of disordered semiconductors by the two-dimensional DFA and average mutual information methods

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

Alpatov, A. V.; Vikhrov, S. P.; Rybina, N. V., E-mail: pgnv@mail.ru

The processes of self-organization of the surface structure of hydrogenated amorphous silicon are studied by the methods of fluctuation analysis and average mutual information on the basis of atomic-force-microscopy images of the surface. It is found that all of the structures can be characterized by a correlation vector and represented as a superposition of harmonic components and noise. It is shown that, under variations in the technological parameters of the production of a-Si:H films, the correlation properties of their structure vary as well. As the substrate temperature is increased, the formation of structural irregularities becomes less efficient; in this case,more » the length of the correlation vector and the degree of structural ordering increase. It is shown that the procedure based on the method of fluctuation analysis in combination with the method of average mutual information provides a means for studying the self-organization processes in any structures on different length scales.« less

Turbine Engine Hot Section Technology, 1984

NASA Technical Reports Server (NTRS)

1984-01-01

Presentations were made concerning the hot section environment and behavior of combustion liners, turbine blades, and waves. The presentations were divided into six sessions: instrumentation, combustion, turbine heat transfer, structural analysis, fatigue and fracture, and surface properties. The principal objective of each session was to disseminate research results to date, along with future plans. Topics discussed included modeling of thermal and fluid flow phenomena, structural analysis, fatigue and fracture, surface protective coatings, constitutive behavior, stress-strain response, and life prediction methods.

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.

Study of advanced composite structural design concepts for an arrow wing supersonic cruise configuration

NASA Technical Reports Server (NTRS)

Turner, M. J.; Grande, D. L.

1978-01-01

Based on estimated graphite and boron fiber properties, allowable stresses and strains were established for advanced composite materials. Stiffened panel and conventional sandwich panel concepts were designed and analyzed, using graphite/polyimide and boron/polyimide materials. The conventional sandwich panel was elected as the structural concept for the modified wing structure. Upper and lower surface panels of the arrow wing structure were then redesigned, using high strength graphite/polyimide sandwich panels, retaining the titanium spars and ribs from the prior study. The ATLAS integrated analysis and design system was used for stress analysis and automated resizing of surface panels. Flutter analysis of the hybrid structure showed a significant decrease in flutter speed relative to the titanium wing design. The flutter speed was increased to that of the titanium design by selective increase in laminate thickness and by using graphite fibers with properties intermediate between high strength and high modulus values.

Use of principle velocity patterns in the analysis of structural acoustic optimization.

PubMed

Johnson, Wayne M; Cunefare, Kenneth A

2007-02-01

This work presents an application of principle velocity patterns in the analysis of the structural acoustic design optimization of an eight ply composite cylindrical shell. The approach consists of performing structural acoustic optimizations of a composite cylindrical shell subject to external harmonic monopole excitation. The ply angles are used as the design variables in the optimization. The results of the ply angle design variable formulation are interpreted using the singular value decomposition of the interior acoustic potential energy. The decomposition of the acoustic potential energy provides surface velocity patterns associated with lower levels of interior noise. These surface velocity patterns are shown to correspond to those from the structural acoustic optimization results. Thus, it is demonstrated that the capacity to design multi-ply composite cylinders for quiet interiors is determined by how well the cylinder be can designed to exhibit particular surface velocity patterns associated with lower noise levels.

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).

Analysis and Simulation of 3D Scattering due to Heterogeneous Crustal Structure and Surface Topography on Regional Phases; Magnitude and Discrimination

DTIC Science & Technology

2009-07-07

inversion technique that is based on different weights for relatively high frequency waveform modeling of Pnl and relatively long period surface waves (Tan...et al., 2006). Pnl and surface waves are also allowed to shift in time to take into account of uncertainties in velocity structure. Joint...inversion of Pnl and surface waves provides better constraints on focal depth as well as source mechanisms. The pure strike-slip mechanism of the earthquake

Pathways for Ethanol Dehydrogenation and Dehydration Catalyzed by Ceria (111) and (100) Surfaces

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

Beste, Ariana; Steven Overbury

2015-01-08

We have performed computations to better understand how surface structure affects selectivity in dehydrogenation and dehydration reactions of alcohols. Ethanol reactions on the (111) and (100) ceria surfaces were studied starting from the dominant surface species, ethoxy. We used DFT (PBE+U) to explore reaction pathways leading to ethylene and acetaldehyde and calculated estimates of rate constants employing transition state theory. To assess pathway contributions, we carried out kinetic analysis. Our results show that intermediate and transition state structures are stabilized on the (100) surface compared to the (111) surface. Formation of acetaldehyde over ethylene is kinetically and thermodynamically preferred onmore » both surfaces. Our results are consistent with temperature programmed surface reaction and steady-state experiments, where acetaldehyde was found as the main product and evidence was presented that ethylene formation at higher temperature originates from changes in adsorbate and surface structure.« less

Deciphering fine molecular details of proteins' structure and function with a Protein Surface Topography (PST) method.

PubMed

Koromyslova, Anna D; Chugunov, Anton O; Efremov, Roman G

2014-04-28

Molecular surfaces are the key players in biomolecular recognition and interactions. Nowadays, it is trivial to visualize a molecular surface and surface-distributed properties in three-dimensional space. However, such a representation trends to be biased and ambiguous in case of thorough analysis. We present a new method to create 2D spherical projection maps of entire protein surfaces and manipulate with them--protein surface topography (PST). It permits visualization and thoughtful analysis of surface properties. PST helps to easily portray conformational transitions, analyze proteins' properties and their dynamic behavior, improve docking performance, and reveal common patterns and dissimilarities in molecular surfaces of related bioactive peptides. This paper describes basic usage of PST with an example of small G-proteins conformational transitions, mapping of caspase-1 intersubunit interface, and intrinsic "complementarity" in the conotoxin-acetylcholine binding protein complex. We suggest that PST is a beneficial approach for structure-function studies of bioactive peptides and small proteins.

Effects of structural nonlinearity on subsonic aeroelastic characteristics of an aircraft wing with control surface

NASA Astrophysics Data System (ADS)

Bae, J.-S.; Inman, D. J.; Lee, I.

2004-07-01

The nonlinear aeroelastic characteristics of an aircraft wing with a control surface are investigated. A doublet-hybrid method is used for the calculation of subsonic unsteady aerodynamic forces and the minimum-state approximation is used for the approximation of aerodynamic forces. A free vibration analysis is performed using the finite element and the fictitious mass methods. The structural nonlinearity in the control surface hinge is represented by both free-play and a bilinear nonlinearity. These nonlinearities are linearized using the describing function method. From the nonlinear flutter analysis, various types of limit cycle oscillations and periodic motions are observed in a wide range of air speeds below the linear flutter boundary. The effects of structural nonlinearities on aeroelastic characteristics are investigated.

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.

Trend-surface analysis of the structure of the Ste. Genevieve limestone in the Effingham, Illinois, area

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

Stevenson, D.

1970-01-01

Recent studies of oil accumulations in the Ste. Genevieve Limestone Formation in Illinois demonstrate the usefulness of fitting third-order trend surfaces to structural data and analyzing the residuals calculated by subtracting the trend surface from the structure surface. Known oil pools are located in areas having positive residual values. This type of investigation, supplemented by conventional structural and stratigraphic studies, was performed on a 9-township (approx. 324 sq miles) area in Effingham and Shelby counties, Illinois. The known oil pools in the oolite and sandstone lenses of the Ste. Genevieve Formation lie within positive residuals resulting from the difference betweenmore » a third-order trend surface and the structural surface on top of the Ste. Genevieve. A composite map outlining areas where present anticlinal noses, sandstone lenses, and positive residuals lie in close proximity to each other is included in this report to indicate places where future exploration for Ste. Genevieve oil would have the greatest chance for success.« less

Structural tests and development of a laminar flow control wing surface composite chordwise joint

NASA Technical Reports Server (NTRS)

Lineberger, L. B.

1984-01-01

The dramatic increases in fuel costs and the potential for periods of limited fuel availability provided the impetus to explore technologies to reduce transport aircraft fuel consumption. NASA sponsored the Aircraft Energy Efficiency (ACEE) program beginning in 1976 to develop technologies to improve fuel efficiency. The Lockheed-Georgia Company accomplished under NAS1-16235 Laminar-Flow-Control (LFC) Wing Panel Structural Design and Development (WSSD); design, manufacturing, and testing activities. An in-depth preliminary design of the baseline 1993 LFC wing was accomplished. A surface panel using the Lockheed graphite/epoxy integrated LFC wing box structural concept was designed. The concept was shown by analysis to be structurally efficient and cost effective. Critical details of the surface and surface joint was demonstrated by fabricating and testing complex, concept selection specimens. The Lockheed-Georgia Company accomplishments, Development of LFC Wind Surface Composite Structures (WSCS), are documented. Tests were conducted on two CV2 panels to verify the static tension and fatigue strength of LFC wing surface chordwise joints.

Experimental Study of Static Contact-angle on Peak-like Microstructural Surfaces Produced by PIII Technology

NASA Astrophysics Data System (ADS)

Yang, Runhua; Yang, Lixin

2018-06-01

Plasma immersion ion implantation (PIII) was used to fabricate micro/nano structures on monocrystalline Si surfaces with different ratios of mixed gases (SF6/O2). The micro/nano structures on the surfaces of the sample were characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The results showed that with increasing ratio of mixed gases (SF6/O2), the height of the micro/nano structures first increased and then decreased. Contact-angle measurements indicated that the surfaces' micro/nano structures have an obvious effect on the contact-angle, and could cause a change in surface wettability. The theoretical analysis of contact-angle showed that the Wenzel and Cassie theories cannot predict the contact-angle of a roughened surface accurately, and should be corrected for practical applications using an actual model. Moreover, the contact-angle first increased and then decreased with increasing ratio of mixed gases (SF6/O2), which is in accordance with the change of the height of micro/nano structures.

The integration of a mesh reflector to a 15-foot box truss structure. Task 3: Box truss analysis and technology development

NASA Technical Reports Server (NTRS)

Bachtell, E. E.; Thiemet, W. F.; Morosow, G.

1987-01-01

To demonstrate the design and integration of a reflective mesh surface to a deployable truss structure, a mesh reflector was installed on a 15 foot box truss cube. The specific features demonstrated include: (1) sewing seams in reflective mesh; (2) mesh stretching to desired preload; (3) installation of surface tie cords; (4) installation of reflective surface on truss; (5) setting of reflective surface; (6) verification of surface shape/accuracy; (7) storage and deployment; (8) repeatability of reflector surface; and (9) comparison of surface with predicted shape using analytical methods developed under a previous task.

Numerical analysis of micro-/nanoscale gas-film lubrication of sliding surface with complicated structure

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

Kawagoe, Yoshiaki; Isono, Susumu; Takeno, Takanori

2014-12-09

It has been reported that the friction between a partially polished diamond-coated surface and a metal surface was drastically reduced to zero when they are slid at a few m/s. Since the sliding was noiseless, it seems that the diamond-coated surface was levitated over the counter surface and the sliding mechanism was the gas film lubrication. Recently, the mechanism of levitation of a slider with a micro/nanoscale surface structure on a rotating disk was theoretically clarified [S. Yonemura et al., Tribol. Lett., (2014), doi:10.1007/s11249-014-0368-2]. Probably, the partially polished diamond-coated surface may be levitated by high gas pressure generated by themore » micro/nanoscale surface structure on it. In this study, in order to verify our deduction, we performed numerical simulations of sliding of partially polished diamond-coated surface by reproducing its complicated surface structure using the data measured by an atomic force microscope (AFM). As a result, we obtained the lift force which is large enough to levitate the slider used in the experiment.« less

X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

DOE PAGES

Nelson, A. J.; Voss, L. F.; Beck, P. R.; ...

2013-01-12

We subjected device-grade TlBr to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl 2, Br:MeOH and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

NASA Astrophysics Data System (ADS)

Nelson, A. J.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Lee, J.-S.; Kim, H.; Cirignano, L.; Shah, K.

2013-04-01

Device-grade TlBr was subjected to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl2, Br:MeOH, and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p, and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

High-fidelity large area nano-patterning of silicon with femtosecond light sheet

NASA Astrophysics Data System (ADS)

Sidhu, Mehra S.; Munjal, Pooja; Singh, Kamal P.

2018-01-01

We employ a femtosecond light sheet generated by a cylindrical lens to rapidly produce high-fidelity nano-structures over large area on silicon surface. The Fourier analysis of electron microscopy images of the laser-induced surface structures reveals sharp peaks indicating good homogeneity. We observed an emergence of second-order spatial periodicity on increasing the scan speed. Our reliable approach may rapidly nano-pattern curved solid surfaces and tiny objects for diverse potential applications in optical devices, structural coloring, plasmonic substrates and in high-harmonic generation.

Structured light optical microscopy for three-dimensional reconstruction of technical surfaces

NASA Astrophysics Data System (ADS)

Kettel, Johannes; Reinecke, Holger; Müller, Claas

2016-04-01

In microsystems technology quality control of micro structured surfaces with different surface properties is playing an ever more important role. The process of quality control incorporates three-dimensional (3D) reconstruction of specularand diffusive reflecting technical surfaces. Due to the demand on high measurement accuracy and data acquisition rates, structured light optical microscopy has become a valuable solution to solve this problem providing high vertical and lateral resolution. However, 3D reconstruction of specular reflecting technical surfaces still remains a challenge to optical measurement principles. In this paper we present a measurement principle based on structured light optical microscopy which enables 3D reconstruction of specular- and diffusive reflecting technical surfaces. It is realized using two light paths of a stereo microscope equipped with different magnification levels. The right optical path of the stereo microscope is used to project structured light onto the object surface. The left optical path is used to capture the structured illuminated object surface with a camera. Structured light patterns are generated by a Digital Light Processing (DLP) device in combination with a high power Light Emitting Diode (LED). Structured light patterns are realized as a matrix of discrete light spots to illuminate defined areas on the object surface. The introduced measurement principle is based on multiple and parallel processed point measurements. Analysis of the measured Point Spread Function (PSF) by pattern recognition and model fitting algorithms enables the precise calculation of 3D coordinates. Using exemplary technical surfaces we demonstrate the successful application of our measurement principle.

Structural coloration of metallic surfaces with micro/nano-structures induced by elliptical vibration texturing

NASA Astrophysics Data System (ADS)

Yang, Yang; Pan, Yayue; Guo, Ping

2017-04-01

Creating orderly periodic micro/nano-structures on metallic surfaces, or structural coloration, for control of surface apparent color and optical reflectivity has been an exciting research topic over the years. The direct applications of structural coloration include color marking, display devices, and invisibility cloak. This paper presents an efficient method to colorize metallic surfaces with periodic micro/nano-gratings using elliptical vibration texturing. When the tool vibration is coupled with a constant cutting velocity, controlled periodic ripples can be generated due to the overlapping tool trajectory. These periodic ripples with a wavelength near visible spectrum can act as micro-gratings to introduce iridescent colors. The proposed technique also provides a flexible method for color marking of metallic surfaces with arbitrary patterns and images by precise control of the spacing distance and orientation of induced micro/nano-ripples. Theoretical analysis and experimental results are given to demonstrate structural coloration of metals by a direct mechanical machining technique.

Surface catalytic degradation study of two linear perfluoropolyalkylethers at 345 C

NASA Technical Reports Server (NTRS)

Morales, Wilfredo

1987-01-01

Thin-liquid-film degradation studies of two commercially available perfluoropolyalkylether fluids (PFAE) were performed at 345 C, in nitrogen and air atmospheres, on iron and 440 C stainless steel surfaces. It was found that one fluid degraded on both iron and 440 C stainless steel surfaces in an air atmosphere, whereas the other fluid did not degrade. Chemical analysis revealed that the test fluid degraded to lower molecular weight products and that the degradation was accompanied by the formation of a brownish deposit on both the iron and 440 C stainless steel surfaces. Surface analysis of the deposit revealed a susbstantial amount of iron oxide (Fe2O3). It was hypothesized that the fluid which degraded did so because of its acetal structure. The other fluid, lacking the acetal structure, did not degrade.

Effects of high-temperature gas dealkalization on surface mechanical properties of float glass

NASA Astrophysics Data System (ADS)

Senturk, Ufuk

The surface topography, and the near-surface structure and mechanical property changes on float glass, that was treated in atmospheres containing SOsb2, HCl, and 1,1 difluoroethane (DFE) gases, at temperatures in the glass transition region, were studied. Structure was investigated using surface sensitive infrared spectroscopy techniques (attenuated total reflectance (ATR) and diffuse reflectance (DRIFT)) and the topography was evaluated using atomic force microscopy (AFM). The results obtained from the two FTIR methods were in agreement with each other. Mechanical property characteristics of the surface were determined by measuring microhardness using a recording microindentation set-up. A simple analysis performed on the three hardness calculation methods-LVH, LVHsb2, and Lsb2VH-indicated that LVH and LVHsb2 are less effected by measurement errors and are better suited for the calculation of hardness. Contact damage characteristics of the treated glass was also studied by monitoring the crack initiation behavior during indentation, using acoustic emission. The results of the studies, aiming for the understanding of the structure, topography, and hardness property changes indicate that the treatment parameters-temperature, time, and treatment atmosphere conditions-are significant factors influencing these properties. The analysis of these results suggest a relation to exist between the three properties. This relation is used in understanding the surface mechanical properties of the treated float glasses. The difference in the thermal expansion coefficients between the dealkalized surface and bulk, the nature of surface structure changes, structural relaxation, surface water content, and glass transformation temperature are identified as the major factors having an influence on the properties. A model connecting these features is suggested. A difference in the structure, hardness, and topography on the air and tin sides of float glass is also shown to exist. The contact damage behavior of the treated surfaces is shown to differ from those of untreated surfaces, for SOsb2-treated float glass, where the crack initiation characteristics indicate crack formation from the surface and the indenter tip, different than the expected anomalous deformation. This behavior resembles that of a silica glass deformation on the surface, which is in agreement with the other foundations in this study.

Image Analysis Technique for Material Behavior Evaluation in Civil Structures

PubMed Central

Moretti, Michele; Rossi, Gianluca

2017-01-01

The article presents a hybrid monitoring technique for the measurement of the deformation field. The goal is to obtain information about crack propagation in existing structures, for the purpose of monitoring their state of health. The measurement technique is based on the capture and analysis of a digital image set. Special markers were used on the surface of the structures that can be removed without damaging existing structures as the historical masonry. The digital image analysis was done using software specifically designed in Matlab to follow the tracking of the markers and determine the evolution of the deformation state. The method can be used in any type of structure but is particularly suitable when it is necessary not to damage the surface of structures. A series of experiments carried out on masonry walls of the Oliverian Museum (Pesaro, Italy) and Palazzo Silvi (Perugia, Italy) have allowed the validation of the procedure elaborated by comparing the results with those derived from traditional measuring techniques. PMID:28773129

Image Analysis Technique for Material Behavior Evaluation in Civil Structures.

PubMed

Speranzini, Emanuela; Marsili, Roberto; Moretti, Michele; Rossi, Gianluca

2017-07-08

The article presents a hybrid monitoring technique for the measurement of the deformation field. The goal is to obtain information about crack propagation in existing structures, for the purpose of monitoring their state of health. The measurement technique is based on the capture and analysis of a digital image set. Special markers were used on the surface of the structures that can be removed without damaging existing structures as the historical masonry. The digital image analysis was done using software specifically designed in Matlab to follow the tracking of the markers and determine the evolution of the deformation state. The method can be used in any type of structure but is particularly suitable when it is necessary not to damage the surface of structures. A series of experiments carried out on masonry walls of the Oliverian Museum (Pesaro, Italy) and Palazzo Silvi (Perugia, Italy) have allowed the validation of the procedure elaborated by comparing the results with those derived from traditional measuring techniques.

Analysis of asteroid (216) Kleopatra using dynamical and structural constraints

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

Hirabayashi, Masatoshi; Scheeres, Daniel J., E-mail: masatoshi.hirabayashi@colorado.edu

This paper evaluates a dynamically and structurally stable size for Asteroid (216) Kleopatra. In particular, we investigate two different failure modes: material shedding from the surface and structural failure of the internal body. We construct zero-velocity curves in the vicinity of this asteroid to determine surface shedding, while we utilize a limit analysis to calculate the lower and upper bounds of structural failure under the zero-cohesion assumption. Surface shedding does not occur at the current spin period (5.385 hr) and cannot directly initiate the formation of the satellites. On the other hand, this body may be close to structural failure;more » in particular, the neck may be situated near a plastic state. In addition, the neck's sensitivity to structural failure changes as the body size varies. We conclude that plastic deformation has probably occurred around the neck part in the past. If the true size of this body is established through additional measurements, this method will provide strong constraints on the current friction angle for the body.« less

Decay assessment through thermographic analysis in architectural and archaeological heritage

NASA Astrophysics Data System (ADS)

Gomez-Heras, Miguel; Martinez-Perez, Laura; Fort, Rafael; Alvarez de Buergo, Monica

2010-05-01

Any exposed stone-built structure is subject to thermal variations due to daily, seasonal and secular environmental temperature changes. Surface temperature is a function of air temperature (due to convective heat transfer) and of infrared radiation received through insolation. While convective heat transfer homogenizes surface temperature, stone response to insolation is much more complex and the temporal and spatial temperature differences across structures are enhanced. Surface temperature in stone-built structures will be affected by orientation, sunlight inclination and the complex patterns of light and shadows generated by the often intricate morphology of historical artefacts and structures. Surface temperature will also be affected by different material properties, such as albedo, thermal conductivity, transparency and absorbance to infrared radiation of minerals and rocks. Moisture and the occurrence of salts will also be a factor affecting surface temperatures. Surface temperatures may as well be affected by physical disruptions of rocks due to differences in thermal inertia generated by cracks and other discontinuities. Thermography is a non-invasive, non-destructive technique that measures temperature variations on the surface of a material. With this technique, surface temperature rates of change and their spatial variations can be analysed. This analysis may be used not only to evaluate the incidence of thermal decay as a factor that generates or enhances stone decay, but also to detect and evaluate other factors that affect the state of conservation of architectural and archaeological heritage, as for example moisture, salts or mechanical disruptions.

The gradient structure of the NiTi surface layers subjected to tantalum ion beam alloying

NASA Astrophysics Data System (ADS)

Girsova, S. L.; Poletika, T. M.; Meisner, L. L.; Schmidt, E. Yu

2017-05-01

The NiTi shape memory alloy has been modified by ion implantation with Ta to improve the surface and biological properties. The elemental and phase composition and structure of the surface and near-surface layers of NiTi specimens after the Ta ion implantation with the fluency D = 3 × 1017 cm-2 and D = 6 × 1017 cm-2 are examined. The methods of Auger electron spectroscopy (AES), transmission electron microscopy (TEM), and electron dispersion analysis (EDS) are used. It is found that a nonuniform distribution of elements along the depth of the surface layer after the ion implantation of NiTi specimens, regardless of the regime, is accompanied by the formation of a number of sublayer structures.

Contactless electroreflectance studies of surface potential barrier for N- and Ga-face epilayers grown by molecular beam epitaxy

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

Kudrawiec, R.; Janicki, L.; Gladysiewicz, M.

2013-07-29

Two series of N- and Ga-face GaN Van Hoof structures were grown by plasma-assisted molecular beam epitaxy to study the surface potential barrier by contactless electroreflectance (CER). A clear CER resonance followed by strong Franz-Keldysh oscillation of period varying with the thickness of undoped GaN layer was observed for these structures. This period was much shorter for N-polar structures that means smaller surface potential barrier in these structures than in Ga-polar structures. From the analysis of built-in electric field it was determined that the Fermi-level is located 0.27 ± 0.05 and 0.60 ± 0.05 eV below the conduction band formore » N- and Ga-face GaN surface, respectively.« less

Surface-crack growth: Models, experiments, and structures; Proceedings of the Symposium, Sparks, NV, Apr. 25, 1988

NASA Technical Reports Server (NTRS)

Reuter, Walter G. (Editor); Underwood, John H. (Editor); Newman, James C., Jr. (Editor)

1990-01-01

The present volume on surface-crack growth modeling, experimental methods, and structures, discusses elastoplastic behavior, the fracture analysis of three-dimensional bodies with surface cracks, optical measurements of free-surface effects on natural surfaces and through cracks, an optical and finite-element investigation of a plastically deformed surface flaw under tension, fracture behavior prediction for rapidly loaded surface-cracked specimens, and surface cracks in thick laminated fiber composite plates. Also discussed are a novel study procedure for crack initiation and growth in thermal fatigue testing, the growth of surface cracks under fatigue and monotonically increasing load, the subcritical growth of a surface flaw, surface crack propagation in notched and unnotched rods, and theoretical and experimental analyses of surface cracks in weldments.

Application of surface analysis to solve problems of wear

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1981-01-01

Results are presented for the use of surface analytical tools including field ion microscopy, Auger emission spectroscopy analysis (AES), cylindrical mirror Auger analysis and X-ray photoelectron spectroscopy (XPS). Data from the field ion microscope reveal adhesive transfer (wear) at the atomic level with the formation of surface compounds not found in the bulk, and AES reveals that this transfer will occur even in the presence of surface oxides. Both AES and XPS reveal that in abrasive wear with silicon carbide and diamond contacting the transition metals, the surface and the abrasive undergo a chemical or structural change which effects wear. With silicon carbide, silicon volatilizes leaving behind a pseudo-graphitic surface and the surface of diamond is observed to graphitize.

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.

Surface Composition of NiPd Alloys

NASA Technical Reports Server (NTRS)

Noebe, Ronald D.; Khalil, Joe; Bozzolo, Guillermo; Gray, Hugh R. (Technical Monitor)

2002-01-01

Surface segregation in Ni-Pd alloys has been studied using the BFS method for alloys. Not only does the method predict an oscillatory segregation profile but it also indicates that the number of Pd-enriched surface planes can vary as a function of orientation. The segregation profiles were computed as a function of temperature, crystal face, and composition. Pd enrichment of the first layer is observed in (111) and (100) surfaces, and enrichment of the top two layers occurs for (110) surfaces. In all cases, the segregation profile shows oscillations that are actually related to weak ordering tendencies in the bulk. An atom-by-atom analysis was performed to identify the competing mechanisms leading to the observed surface behaviors. Large-scale atomistic simulations were also performed to investigate the temperature dependence of the segregation profiles as well as for analysis of the bulk structures. Finally, the observed surface behaviors are discussed in relation to the bulk phase structure of Ni-Pd alloys, which exhibit a tendency to weakly order.

Transverse analysis and field measurements for segmental box girders wings : final report, December 2008.

DOT National Transportation Integrated Search

2008-12-01

Parapets placed on bridge deck surfaces, commonly known as barriers are purposes omitted from the structural analysis model for design or load rating. Barriers should not be considered primary structural members because they are designed to withstand...

Influence of Structural Features and Fracture Processes on Surface Roughness: A Case Study from the Krosno Sandstones of the Górka-Mucharz Quarry (Little Beskids, Southern Poland)

NASA Astrophysics Data System (ADS)

Pieczara, Łukasz

2015-09-01

The paper presents the results of analysis of surface roughness parameters in the Krosno Sandstones of Mucharz, southern Poland. It was aimed at determining whether these parameters are influenced by structural features (mainly the laminar distribution of mineral components and directional distribution of non-isometric grains) and fracture processes. The tests applied in the analysis enabled us to determine and describe the primary statistical parameters used in the quantitative description of surface roughness, as well as specify the usefulness of contact profilometry as a method of visualizing spatial differentiation of fracture processes in rocks. These aims were achieved by selecting a model material (Krosno Sandstones from the Górka-Mucharz Quarry) and an appropriate research methodology. The schedule of laboratory analyses included: identification analyses connected with non-destructive ultrasonic tests, aimed at the preliminary determination of rock anisotropy, strength point load tests (cleaved surfaces were obtained due to destruction of rock samples), microscopic analysis (observation of thin sections in order to determine the mechanism of inducing fracture processes) and a test method of measuring surface roughness (two- and three-dimensional diagrams, topographic and contour maps, and statistical parameters of surface roughness). The highest values of roughness indicators were achieved for surfaces formed under the influence of intragranular fracture processes (cracks propagating directly through grains). This is related to the structural features of the Krosno Sandstones (distribution of lamination and bedding).

SFG analysis of surface bound proteins: a route towards structure determination.

PubMed

Weidner, Tobias; Castner, David G

2013-08-14

The surface of a material is rapidly covered with proteins once that material is placed in a biological environment. The structure and function of these bound proteins play a key role in the interactions and communications of the material with the biological environment. Thus, it is crucial to gain a molecular level understanding of surface bound protein structure. While X-ray diffraction and solution phase NMR methods are well established for determining the structure of proteins in the crystalline or solution phase, there is not a corresponding single technique that can provide the same level of structural detail about proteins at surfaces or interfaces. However, recent advances in sum frequency generation (SFG) vibrational spectroscopy have significantly increased our ability to obtain structural information about surface bound proteins and peptides. A multi-technique approach of combining SFG with (1) protein engineering methods to selectively introduce mutations and isotopic labels, (2) other experimental methods such as time-of-flight secondary ion mass spectrometry (ToF-SIMS) and near edge X-ray absorption fine structure (NEXAFS) to provide complementary information, and (3) molecular dynamic (MD) simulations to extend the molecular level experimental results is a particularly promising route for structural characterization of surface bound proteins and peptides. By using model peptides and small proteins with well-defined structures, methods have been developed to determine the orientation of both backbone and side chains to the surface.

SFG analysis of surface bound proteins: A route towards structure determination

PubMed Central

Weidner, Tobias; Castner, David G.

2013-01-01

The surface of a material is rapidly covered with proteins once that material is placed in a biological environment. The structure and function of these bound proteins play a key role in the interactions and communications of the material with the biological environment. Thus, it is crucial to gain a molecular level understanding of surface bound protein structure. While X-ray diffraction and solution phase NMR methods are well established for determining the structure of proteins in the crystalline or solution phase, there is not a corresponding single technique that can provide the same level of structural detail about proteins at surfaces or interfaces. However, recent advances in sum frequency generation (SFG) vibrational spectroscopy have significantly increased our ability to obtain structural information about surface bound proteins and peptides. A multi-technique approach of combining SFG with (1) protein engineering methods to selectively introduce mutations and isotopic labels, (2) other experimental methods such as time-of-flight secondary ion mass spectrometry (ToF-SIMS) and near edge x-ray absorption fine structure (NEXAFS) to provide complementary information, and (3) molecular dynamic (MD) simulations to extend the molecular level experimental results is a particularly promising route for structural characterization of surface bound proteins and peptides. By using model peptides and small proteins with well-defined structures, methods have been developed to determine the orientation of both backbone and side chains to the surface. PMID:23727992

A high volume cost efficient production macrostructuring process. [for silicon solar cell surface treatment

NASA Technical Reports Server (NTRS)

Chitre, S. R.

1978-01-01

The paper presents an experimentally developed surface macro-structuring process suitable for high volume production of silicon solar cells. The process lends itself easily to automation for high throughput to meet low-cost solar array goals. The tetrahedron structure observed is 0.5 - 12 micron high. The surface has minimal pitting with virtually no or very few undeveloped areas across the surface. This process has been developed for (100) oriented as cut silicon. Chemi-etched, hydrophobic and lapped surfaces were successfully texturized. A cost analysis as per Samics is presented.

CFD and Thermo Mechanical Analysis on Effect of Curved vs Step Surface in IC Engine Cylinder Head

NASA Astrophysics Data System (ADS)

Balaji, S.; Ganesh, N.; Kumarasamy, A.

2017-05-01

Current research in IC engines mainly focus on various methods to achieve higher efficiency and high specific power. As a single design parameter, combustion chamber peak spring pressure has increased more than before. Apart from the structural aspects of withstanding these loads, designer faces challenges of resolving thermal aspects of cylinder head. Methods to enhance the heat transfer without compromising load withstanding capability are being constantly explored. Conventional cylinder heads have got sat inner surface. In this paper we have suggested a modification in inner surface to enhance the heat transfer capability. To increase the heat transfer rate, inner same deck surface is configured as a curved and stepped surface instead of sat. We have reported the effectiveness of extend of curvature in the inner same deck surface in a different technical paper. Here, we are making a direct comparison between stepped and curved surface only. From this analysis it has been observed that curved surface reduces the ame deck temperature considerably without compromising the structural strength factors compared to step and sat surface.

Conformational analysis of an acyclic tetrapeptide: ab-initio structure determination from X-ray powder diffraction, Hirshfeld surface analysis and electronic structure.

PubMed

Das, Uday; Naskar, Jishu; Mukherjee, Alok Kumar

2015-12-01

A terminally protected acyclic tetrapeptide has been synthesized, and the crystal structure of its hydrated form, Boc-Tyr-Aib-Tyr-Ile-OMe·2H2O (1), has been determined directly from powder X-ray diffraction data. The backbone conformation of tetrapeptide (1) exhibiting two consecutive β-turns is stabilized by two 4 → 1 intramolecular N-H · · · O hydrogen bonds. In the crystalline state, the tetrapeptide molecules are assembled through water-mediated O-H · · · O hydrogen bonds to form two-dimensional molecular sheets, which are further linked by intermolecular C-H · · · O hydrogen bonds into a three-dimensional supramolecular framework. The molecular electrostatic potential (MEP) surface of (1) has been used to supplement the crystallographic observations. The nature of intermolecular interactions in (1) has been analyzed quantitatively through the Hirshfeld surface and two-dimensional fingerprint plot. The DFT optimized molecular geometry of (1) agrees closely with that obtained from the X-ray structure analysis. The present structure analysis of Boc-Tyr-Aib-Tyr-Ile-OMe·2H2 O (1) represents a case where ab-initio crystal structure of an acyclic tetrapeptide with considerable molecular flexibility has been accomplished from laboratory X-ray powder diffraction data. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.

Multichannel analysis of the surface waves of earth materials in some parts of Lagos State, Nigeria

NASA Astrophysics Data System (ADS)

Adegbola, R. B.; Oyedele, K. F.; Adeoti, L.; Adeloye, A. B.

2016-09-01

We present a method that utilizes multichannel analysis of surface waves (MASW), which was used to measure shear wave velocities, with a view to establishing the probable causes of road failure, subsidence and weakening of structures in some local government areas in Lagos, Nigeria. MASW data were acquired using a 24-channel seismograph. The acquired data were processed and transformed into a two-dimensional (2-D) structure reflective of the depth and surface wave velocity distribution within a depth of 0-15 m beneath the surface using SURFSEIS software. The shear wave velocity data were compared with other geophysical/ borehole data that were acquired along the same profile. The comparison and correlation illustrate the accuracy and consistency of MASW-derived shear wave velocity profiles. Rigidity modulus and N-value were also generated. The study showed that the low velocity/ very low velocity data are reflective of organic clay/ peat materials and thus likely responsible for the failure, subsidence and weakening of structures within the study areas.

Study of solid/liquid and solid/gas interfaces in Cu-isoleucine complex by surface X-ray diffraction

NASA Astrophysics Data System (ADS)

Ferrer, Pilar; Rubio-Zuazo, Juan; Castro, German R.

2013-02-01

The enzymes could be understood like structures formed by amino acids bonded with metals, which act as active sites. The research on the coordination of metal-amino acid complexes will bring light on the behavior of metal enzymes, due to the close relation existing between the atomic structure and the functionality. The Cu-isoleucine bond is considered as a good model system to attain a better insight into the characteristics of naturally occurring copper metalloproteins. The surface structure of metal-amino acid complex could be considered as a more realistic model for real systems under biologic working conditions, since the molecular packing is decreased. In the surface, the structural constrains are reduced, keeping the structural capability of surface complex to change as a function of the surrounding environment. In this work, we present a surface X-ray diffraction study on Cu-isoleucine complex under different ambient conditions. Cu(Ile)2 crystals of about 5 mm × 5 mm × 1 mm have been growth, by seeding method in a supersaturated solution, presenting a surface of high quality. The sample for the surface diffraction study was mounted on a cell specially designed for solid/liquid or solid/gas interface analysis. The Cu-isoleucine crystal was measured under a protective dry N2 gas flow and in contact with a saturated metal amino acid solution. The bulk and the surface signals were compared, showing different atomic structures. In both cases, from surface diffraction data, it is observed that the atomic structure of the top layer undergoes a clear structural deformation. A non-uniform surface relaxation is observed producing an inhomogeneous displacement of the surface atoms towards the surface normal.

Contactless electroreflectance study of the Fermi level pinning on GaSb surface in n-type and p-type GaSb Van Hoof structures

NASA Astrophysics Data System (ADS)

Kudrawiec, R.; Nair, H. P.; Latkowska, M.; Misiewicz, J.; Bank, S. R.; Walukiewicz, W.

2012-12-01

Contactless electroreflectance (CER) has been applied to study the Fermi-level position on GaSb surface in n-type and p-type GaSb Van Hoof structures. CER resonances, followed by strong Franz-Keldysh oscillation of various periods, were clearly observed for two series of structures. This period was much wider (i.e., the built-in electric field was much larger) for n-type structures, indicating that the GaSb surface Fermi level pinning position is closer to the valence-band than the conduction-band. From analysis of the built-in electric fields in undoped GaSb layers, it was concluded that on GaSb surface the Fermi-level is located ˜0.2 eV above the valence band.

Determination of Elevator and Rudder Hinge Forces on the Learjet Model 55 Aircraft

NASA Technical Reports Server (NTRS)

Boroughs, R. R.; Padmanabhan, V.

1983-01-01

The empennage structure on the Learjet 55 aircraft was quite similar to the empennage structure on earlier Learjet models. However, due to an important structural change in the vertical fin along with the new loads environment on the 50 series aircraft, a structural test was required on the vertical fin, but the horizontal tail was substantiated by a comparative analysis with previous tests. NASTRAN analysis was used to investigate empennage deflections, stress levels, and control surface hinge forces. The hinge force calculations were made with the control surfaces in the deflected as well as undeflected configurations. A skin panel buckling analysis was also performed, and the non-linear effects of buckling were simulated in the NASTRAN model to more accurately define internal loads and stress levels. Comparisons were then made between the Model 55 and the Model 35/36 stresses and internal forces to determine which components were qualified by previous tests. Some of the methods and techniques used in this analysis are described.

Optimization of an Advanced Hybrid Wing Body Concept Using HCDstruct Version 1.2

NASA Technical Reports Server (NTRS)

Quinlan, Jesse R.; Gern, Frank H.

2016-01-01

Hybrid Wing Body (HWB) aircraft concepts continue to be promising candidates for achieving the simultaneous fuel consumption and noise reduction goals set forth by NASA's Environmentally Responsible Aviation (ERA) project. In order to evaluate the projected benefits, improvements in structural analysis at the conceptual design level were necessary; thus, NASA researchers developed the Hybrid wing body Conceptual Design and structural optimization (HCDstruct) tool to perform aeroservoelastic structural optimizations of advanced HWB concepts. In this paper, the authors present substantial updates to the HCDstruct tool and related analysis, including: the addition of four inboard and eight outboard control surfaces and two all-movable tail/rudder assemblies, providing a full aeroservoelastic analysis capability; the implementation of asymmetric load cases for structural sizing applications; and a methodology for minimizing control surface actuation power using NASTRAN SOL 200 and HCDstruct's aeroservoelastic finite-element model (FEM).

Adsorption of organic molecules on a porous polymer surface modified with the supramolecular structure of melamine-cyanuric acid

NASA Astrophysics Data System (ADS)

Gainullina, Yu. Yu.; Guskov, V. Yu.

2017-10-01

The adsorption of organic molecules on the surface of a porous polymeric sorbent modified with a mixed cyanuric acid-melamine supramolecular structure is studied. The parameters of thermodynamic adsorption are considered and the contributions from intermolecular interactions to the Helmholtz energy of adsorption are assessed. Analysis of the molar changes in internal energy and adsorption entropy shows that the supramolecular structure formed on the surface could not exhibit dimension effects, indicating there were no cavities. The contributions from nonspecific interactions to the Helmholtz energy of adsorption generally fall, while those of specific interactions increase, indicating an increase in the polarity of the sorbent surface.

Reading from Scratch - A Vision-System for Reading Data on Micro-structured Surfaces

NASA Astrophysics Data System (ADS)

Dragon, Ralf; Becker, Christian; Rosenhahn, Bodo; Ostermann, Jörn

Labeling and marking industrial manufactured objects gets increasingly important nowadays because of novel material properties and plagiarism. As part of the Collaborative Research Center 653 which investigates micro-structured metallic surfaces for inherent mechanical data storage, we research into a stable and reliable optical readout of the written data. Since this comprises a qualitative surface reconstruction, we use directed illumination to make the micro structures visible. Then we apply a spectral analysis to obtain image partitioning and perform signal tracking enhanced by a customized Hidden Markov Model. In this paper, we derive the algorithms used and demonstrate reading data from a surface with 1.6kbit/cm2 from a micro-structured groove which varies by only 3μ m in depth (thus a “scratch”). We demonstrate the system’s robustness with experiments with real and artificially-rendered surfaces.

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.

Nonlinear Transient Thermal Analysis by the Force-Derivative Method

NASA Technical Reports Server (NTRS)

Balakrishnan, Narayani V.; Hou, Gene

1997-01-01

High-speed vehicles such as the Space Shuttle Orbiter must withstand severe aerodynamic heating during reentry through the atmosphere. The Shuttle skin and substructure are constructed primarily of aluminum, which must be protected during reentry with a thermal protection system (TPS) from being overheated beyond the allowable temperature limit, so that the structural integrity is maintained for subsequent flights. High-temperature reusable surface insulation (HRSI), a popular choice of passive insulation system, typically absorbs the incoming radiative or convective heat at its surface and then re-radiates most of it to the atmosphere while conducting the smallest amount possible to the structure by virtue of its low diffusivity. In order to ensure a successful thermal performance of the Shuttle under a prescribed reentry flight profile, a preflight reentry heating thermal analysis of the Shuttle must be done. The surface temperature profile, the transient response of the HRSI interior, and the structural temperatures are all required to evaluate the functioning of the HRSI. Transient temperature distributions which identify the regions of high temperature gradients, are also required to compute the thermal loads for a structural thermal stress analysis. Furthermore, a nonlinear analysis is necessary to account for the temperature-dependent thermal properties of the HRSI as well as to model radiation losses.

Correlations between brain structure and symptom dimensions of psychosis in schizophrenia, schizoaffective, and psychotic bipolar I disorders.

PubMed

Padmanabhan, Jaya L; Tandon, Neeraj; Haller, Chiara S; Mathew, Ian T; Eack, Shaun M; Clementz, Brett A; Pearlson, Godfrey D; Sweeney, John A; Tamminga, Carol A; Keshavan, Matcheri S

2015-01-01

Structural alterations may correlate with symptom severity in psychotic disorders, but the existing literature on this issue is heterogeneous. In addition, it is not known how cortical thickness and cortical surface area correlate with symptom dimensions of psychosis. Subjects included 455 individuals with schizophrenia, schizoaffective, or bipolar I disorders. Data were obtained as part of the Bipolar Schizophrenia Network for Intermediate Phenotypes study. Diagnosis was made through the Structured Clinical Interview for DSM-IV. Positive and negative symptom subscales were assessed using the Positive and Negative Syndrome Scale. Structural brain measurements were extracted from T1-weight structural MRIs using FreeSurfer v5.1 and were correlated with symptom subscales using partial correlations. Exploratory factor analysis was also used to identify factors among those regions correlating with symptom subscales. The positive symptom subscale correlated inversely with gray matter volume (GMV) and cortical thickness in frontal and temporal regions, whereas the negative symptom subscale correlated inversely with right frontal cortical surface area. Among regions correlating with the positive subscale, factor analysis identified four factors, including a temporal cortical thickness factor and frontal GMV factor. Among regions correlating with the negative subscale, factor analysis identified a frontal GMV-cortical surface area factor. There was no significant diagnosis by structure interactions with symptom severity. Structural measures correlate with positive and negative symptom severity in psychotic disorders. Cortical thickness demonstrated more associations with psychopathology than cortical surface area. © The Author 2014. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Generation Mechanism of Nonlinear Rayleigh Surface Waves for Randomly Distributed Surface Micro-Cracks.

PubMed

Ding, Xiangyan; Li, Feilong; Zhao, Youxuan; Xu, Yongmei; Hu, Ning; Cao, Peng; Deng, Mingxi

2018-04-23

This paper investigates the propagation of Rayleigh surface waves in structures with randomly distributed surface micro-cracks using numerical simulations. The results revealed a significant ultrasonic nonlinear effect caused by the surface micro-cracks, which is mainly represented by a second harmonic with even more distinct third/quadruple harmonics. Based on statistical analysis from the numerous results of random micro-crack models, it is clearly found that the acoustic nonlinear parameter increases linearly with micro-crack density, the proportion of surface cracks, the size of micro-crack zone, and the excitation frequency. This study theoretically reveals that nonlinear Rayleigh surface waves are feasible for use in quantitatively identifying the physical characteristics of surface micro-cracks in structures.

Generation Mechanism of Nonlinear Rayleigh Surface Waves for Randomly Distributed Surface Micro-Cracks

PubMed Central

Ding, Xiangyan; Li, Feilong; Xu, Yongmei; Cao, Peng; Deng, Mingxi

2018-01-01

This paper investigates the propagation of Rayleigh surface waves in structures with randomly distributed surface micro-cracks using numerical simulations. The results revealed a significant ultrasonic nonlinear effect caused by the surface micro-cracks, which is mainly represented by a second harmonic with even more distinct third/quadruple harmonics. Based on statistical analysis from the numerous results of random micro-crack models, it is clearly found that the acoustic nonlinear parameter increases linearly with micro-crack density, the proportion of surface cracks, the size of micro-crack zone, and the excitation frequency. This study theoretically reveals that nonlinear Rayleigh surface waves are feasible for use in quantitatively identifying the physical characteristics of surface micro-cracks in structures. PMID:29690580

Quantitative Analysis Of Three-dimensional Branching Systems From X-ray Computed Microtomography Data

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

McKinney, Adriana L.; Varga, Tamas

Branching structures such as lungs, blood vessels and plant roots play a critical role in life. Growth, structure, and function of these branching structures have an immense effect on our lives. Therefore, quantitative size information on such structures in their native environment is invaluable for studying their growth and the effect of the environment on them. X-ray computed tomography (XCT) has been an effective tool for in situ imaging and analysis of branching structures. We developed a costless tool that approximates the surface and volume of branching structures. Our methodology of noninvasive imaging, segmentation and extraction of quantitative information ismore » demonstrated through the analysis of a plant root in its soil medium from 3D tomography data. XCT data collected on a grass specimen was used to visualize its root structure. A suite of open-source software was employed to segment the root from the soil and determine its isosurface, which was used to calculate its volume and surface. This methodology of processing 3D data is applicable to other branching structures even when the structure of interest is of similar x-ray attenuation to its environment and difficulties arise with sample segmentation.« less

[Influence of surface chemical properties and pore structure characteristics of activated carbon on the adsorption of nitrobenzene from aqueous solution].

PubMed

Liu, Shou-Xin; Chen, Xi; Zhang, Xian-Quan

2008-05-01

Commercial activated carbon was treated by HNO3 oxidation and then subsequently heat treated under N2 atmosphere. Effect of surface chemical properties and pore structure on the adsorption performance of nitrobenzene was investigated. N2/77K adsorption isotherm and scanning electron microscopy (SEM) were used to characterize the pore structure and surface morphology of carbon. Boehm titration, Fourier transform infrared spectroscopy (FTIR), the point of zero charge (pH(PZC)) measurement and elemental analysis were used to characterize the surface properties. The results reveal that HNO3 oxidation can modify the surface chemical properties, increase the number of acidic surface oxygen-containing groups and has trivial effect on the pore structure of carbon. Further heat treatment can cause the decomposition of surface oxygen-containing groups, and increase the external surface area and the number of mesopores. Adsorption capacity of nitrobenzene on AC(NO-T), AC(raw) and AC(NO) was 1011.31, 483.09 and 321.54 mg x g(-1), respectively. Larger external surface area and the number of meso-pores, together with the less acid surface oxygen-containing groups were the main reason for the larger adsorption capacity AC(NO-T).

Surface modification of EPDM rubber by plasma treatment.

PubMed

Grythe, Kai Frode; Hansen, Finn Knut

2006-07-04

The effect of argon, oxygen, and nitrogen plasma treatment of solvent cast EPDM rubber films has been investigated by means of atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and surface energy measurements. Plasma treatment leads to changes in the surface energy from 25 to 70 mN/m. Treatment conditions influenced both the changes in surface energy and the stability, and it became more difficult to obtain good contact angle measurements after longer (> ca. 4 min) treatment times, probably because of an increasingly uneven surface structure. XPS analyses revealed that up to 20 at. % oxygen can be easily incorporated and that variations of approximately 5% can be controlled by the plasma conditions. Oxygen was mainly found in hydroxyl groups, but also as carbonyl and carboxyl. XPS analyses showed more stable surfaces than expected from contact angles, probably because XPS analysis is less surface sensitive than contact angle measurements. AFM measurements revealed different surface structures with the three gases. The surface roughness increased generally with treatment time, and dramatic changes could be observed at longer times. At short times, surface energy changes were much faster than the changes in surface structure, showing that plasma treatment conditions can be utilized to tailor both surface energies and surface structure of EPDM rubber.

Comparative studies of industrial grade carbon black powders

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

Chawla, Komal, E-mail: komalchawla.rs@gmail.com; Chauhan, Alok P. S., E-mail: chauhan.alok@gmail.com, E-mail: alok.chauhan@alumni.stonybrook.edu

Comparative studies of two dissimilar industrial grade Carbon Black (CB) powders (N375 and N405) were conducted. The structure, surface area and particle size are the three important characteristics of CB powder that determine their processability and application as filler in preparing rubber compounds. The powders were characterized for their structure using dibutyl phthalate absorption (DBPA), particle size via laser particle size analyzer and surface area by nitrogen adsorption method. The structural characterization showed that N405 had lower DBPA in comparison to N375, confirming low structure of N405 grade CB powder. It was observed from the particle size analysis that N375more » was coarser than N405 grade CB. The total surface area values were determined by the BET method based on the cross sectional area of the nitrogen molecule. N375, a coarse grade CB powder with high structure, depicted less surface area as compared to N405.« less

Hirshfeld surface analyses and crystal structures of supramolecular self-assembly thiourea derivatives directed by non-covalent interactions

NASA Astrophysics Data System (ADS)

Gumus, Ilkay; Solmaz, Ummuhan; Binzet, Gun; Keskin, Ebru; Arslan, Birdal; Arslan, Hakan

2018-04-01

The novel N-(bis(3,5-dimethoxybenzyl)carbamothioyl)-4-R-benzamide (R: H, Cl, CH3 and OCH3) compounds have been synthesized and characterized by FT-IR, 1H NMR and 13C NMR spectroscopy. Their crystal structures were also determined by single-crystal X-ray diffraction studies. Hirshfeld surfaces analysis and their associated two dimensional fingerprint plots of compounds were used as theoretical approach to assess driving force for crystal structure formation via the intermolecular interactions in the crystal lattices of synthesized compounds. The study of X-ray single crystal diffraction and Hirshfeld surfaces analysis of the prepared compounds shows that hydrogen bonding and other weaker interactions such as Nsbnd H⋯S, weak Csbnd H⋯S, Csbnd H⋯O, Csbnd H⋯N and Csbnd H···π intermolecular interactions and π-π stacking, among molecules of synthesized compounds participate in a cooperative way to stabilize the supramolecular structures.

Quantitative analysis of surface characteristics and morphology in Death Valley, California using AIRSAR data

NASA Technical Reports Server (NTRS)

Kierein-Young, K. S.; Kruse, F. A.; Lefkoff, A. B.

1992-01-01

The Jet Propulsion Laboratory Airborne Synthetic Aperture Radar (JPL-AIRSAR) is used to collect full polarimetric measurements at P-, L-, and C-bands. These data are analyzed using the radar analysis and visualization environment (RAVEN). The AIRSAR data are calibrated using in-scene corner reflectors to allow for quantitative analysis of the radar backscatter. RAVEN is used to extract surface characteristics. Inversion models are used to calculate quantitative surface roughness values and fractal dimensions. These values are used to generate synthetic surface plots that represent the small-scale surface structure of areas in Death Valley. These procedures are applied to a playa, smooth salt-pan, and alluvial fan surfaces in Death Valley. Field measurements of surface roughness are used to verify the accuracy.

COI Structural Analysis Presentation

NASA Technical Reports Server (NTRS)

Cline, Todd; Stahl, H. Philip (Technical Monitor)

2001-01-01

This report discusses the structural analysis of the Next Generation Space Telescope Mirror System Demonstrator (NMSD) developed by Composite Optics Incorporated (COI) in support of the Next Generation Space Telescope (NGST) project. The mirror was submitted to Marshall Space Flight Center (MSFC) for cryogenic testing and evaluation. Once at MSFC, the mirror was lowered to approximately 40 K and the optical surface distortions were measured. Alongside this experiment, an analytical model was developed and used to compare to the test results. A NASTRAN finite element model was provided by COI and a thermal model was developed from it. Using the thermal model, steady state nodal temperatures were calculated based on the predicted environment of the large cryogenic test chamber at MSFC. This temperature distribution was applied in the structural analysis to solve for the deflections of the optical surface. Finally, these deflections were submitted for optical analysis and comparison to the interferometer test data.

Structure analysis of Si(111)-7 × 7 reconstructed surface by transmission electron diffraction

NASA Astrophysics Data System (ADS)

Takayanagi, Kunio; Tanishiro, Yasumasa; Takahashi, Shigeki; Takahashi, Masaetsu

1985-12-01

The atomic structure of the 7 × 7 reconstructed Si(111) surface has been analysed by ultra-high vacuum (UHV) transmission electron diffraction (TED). A possible projected structure of the surface is deduced from the intensity distribution in TED patterns of normal electron incidence and from Patterson and Fourier syntheses of the intensities. A new three-dimensional structure model, the DAS model, is proposed: The model consists of 12 adatoms arranged locally in the 2 × 2 structure, a stacking fault layer and a layer with a vacancy at the corner and 9 dimers on the sides of each of the two triangular subcells of the 7 × 7 unit cell. The silicon layers in one subcell are stacked with the normal sequence, CcAaB + adatoms, while those in the other subcell are stacked with a faulted sequence, CcAa/C + adatoms. The model has only 19 dangling bonds, the smallest number among models so far proposed. Previously proposed models are tested quantitatively by the TED intensity. Advantages and limits of the TED analysis are discussed.

Theoretical analysis of metamaterial-gold auxiliary grating sensing structure for surface plasmon resonance sensing application based on polarization control method

NASA Astrophysics Data System (ADS)

Sun, Yi; Cai, Haoyuan; Wang, Xiaoping

2017-12-01

A metamaterial-gold multilayer sensing structure designed using the particle swarm optimization (PSO) algorithm with an auxiliary grating is proposed for using in a surface plasmon resonance (SPR) sensor system based on the polarization control method. After numerical calculations and simulation analysis, it was found that the metamaterial sensing structure significantly improves the sensitivity of the SPR signal with intensity singularity. The metamaterial sensing structure also increases the penetration depth of evanescent wave, making it possible to detect low-molecular-weight biomolecules and larger cells such as bacteria. The auxiliary grating structure was designed to identify the refractive index of the sensing region on both sides of intensity singularity. The stability of recognition and the electric field intensity of the visible light band were also studied.

Molecular structure, Hirshfeld surface analysis, theoretical investigations and nonlinear optical properties of a novel crystalline chalcone derivative: (E)-1-(5-bromothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one

NASA Astrophysics Data System (ADS)

Pramodh, B.; Lokanath, N. K.; Naveen, S.; Naresh, P.; Ganguly, S.; Panda, J.

2018-06-01

In the present work, the crystal structure of a novel chalcone derivative, (E)-1-(5-bromothiophen-2-yl)-3-(p-tolyl) prop-2-en-1-one has been confirmed by X-ray diffraction studies. Hirshfeld surface analysis was carried out to explore the intermolecular interactions. From the Hirshfeld surface analysis it was observed that H⋯H (26.7%) and C⋯H (26.3%) are the major contributors to the intermolecular interactions which stabilizes the crystal structure. The coordinates were optimized using the density functional theory (DFT) calculations using B3LYP hybrid functions with 6-31G(d) basis set. The structural parameters obtained from XRD studies compliment with those calculated using DFT calculations. The HOMO and LUMO energy gap was found to be 4.1778 eV. The molecular electrostatic potential (MEP) was plotted to identify the possible reactions sites of the molecule. Further, non-linear optical (NLO) properties were investigated by calculating hyperpolarizabilities which indicate that the title compound would be a potential candidate for the NLO applications.

Real time study of amalgam formation and mercury adsorption on thin gold film by total internal reflection ellipsometry

NASA Astrophysics Data System (ADS)

Paulauskas, A.; Selskis, A.; Bukauskas, V.; Vaicikauskas, V.; Ramanavicius, A.; Balevicius, Z.

2018-01-01

Total internal reflection ellipsometry (TIRE) was utilized in its dynamic data acquisition mode to reveal the percentage of mercury present in an amalgam surface layer. In determining the optical constants of the amalgam film, the non-homogeneities of the formed surface layer were taken into account. The composition of the amalgam layer by percentage was determined using the EMA Bruggemann model for the analysis of the TIRE data. Regression results showed that amalgam layer consisted of mercury 16.00 ± 0.43% and gold 84.00 ± 0.43%. This real time TIRE analysis has shown that for these studies method can detect 0.6 ± 0.4% of mercury on a gold surface, proving that this is a suitable optical technique for obtaining real time readouts. The structural analysis of SEM and AFM have shown that the amalgam layer had a dendritic structure, which formation was determined by the weak adhesion of the gold atoms onto its surface.

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.

DFT study of adsorption and dissociation of thiophene molecules on Ni(1 1 0)

NASA Astrophysics Data System (ADS)

Morin, C.; Eichler, A.; Hirschl, R.; Sautet, P.; Hafner, J.

2003-08-01

The different adsorption possibilities of thiophene (C 4H 4S) on the Ni(1 1 0) surface have been studied using first principle local-density-functional calculations, with the Vienna ab initio simulation package, which is based on a plane wave basis set and projector augmented wave potentials. For each configuration, a geometric optimisation has been performed. A detailed analysis of the structural and electronic properties of the molecule and the surface in the most stable conformations is presented, showing the combined roles of the molecular distortion and the interactions between the molecule and the surface. Three structures with comparatively large adsorption energies are identified, all with the molecule plane parallel to the surface. Starting from these stabilised structures, various scenarios for the desulfurisation process have been envisaged. While, for the most stable structure, the formation of an adsorbed thiol is an activated process, with an energetic barrier of 0.70 eV, the two structures which are just a bit less stable can dissociate to a C 4H 4 species and a sulfur atom with barriers as low as 0.07 eV. A description of the different transition states and a kinetic analysis of the desulfurisation reaction is also presented.

Study of the correlation properties of the surface structure of nc-Si/a-Si:H films with different fractions of the crystalline phase

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

Alpatov, A. V., E-mail: pgnv@mail.ru; Vikhrov, S. P.; Kazanskii, A. G.

The correlation properties of the structure of nc-Si/a-Si:H films with different volume fractions of the crystalline phase are studied using 2D detrended fluctuation analysis. Study of the surface relief of experimental samples showed that with increasing in volume fraction of the crystalline phase in the nc-Si/a-Si:H films, the size and number of nanoclusters on their surface grow. The size of Si nanocrystals in the a-Si:H matrix (6–8 nm) indicates the formation of coarse nanoclusters due to the self-organization of Si nanocrystals in groups under laser radiation. According to 2D detrended fluctuation analysis data, the number of correlation vectors (harmonic components)more » in the nc-Si/a-Si:H film structure increased with an increase in the nanocrystal fraction in the films.« less

Hidden corrosion detection in aircraft aluminum structures using laser ultrasonics and wavelet transform signal analysis.

PubMed

Silva, M Z; Gouyon, R; Lepoutre, F

2003-06-01

Preliminary results of hidden corrosion detection in aircraft aluminum structures using a noncontact laser based ultrasonic technique are presented. A short laser pulse focused to a line spot is used as a broadband source of ultrasonic guided waves in an aluminum 2024 sample cut from an aircraft structure and prepared with artificially corroded circular areas on its back surface. The out of plane surface displacements produced by the propagating ultrasonic waves were detected with a heterodyne Mach-Zehnder interferometer. Time-frequency analysis of the signals using a continuous wavelet transform allowed the identification of the generated Lamb modes by comparison with the calculated dispersion curves. The presence of back surface corrosion was detected by noting the loss of the S(1) mode near its cutoff frequency. This method is applicable to fast scanning inspection techniques and it is particularly suited for early corrosion detection.

Biomedical surface analysis: Evolution and future directions (Review)

PubMed Central

Castner, David G.

2017-01-01

This review describes some of the major advances made in biomedical surface analysis over the past 30–40 years. Starting from a single technique analysis of homogeneous surfaces, it has been developed into a complementary, multitechnique approach for obtaining detailed, comprehensive information about a wide range of surfaces and interfaces of interest to the biomedical community. Significant advances have been made in each surface analysis technique, as well as how the techniques are combined to provide detailed information about biological surfaces and interfaces. The driving force for these advances has been that the surface of a biomaterial is the interface between the biological environment and the biomaterial, and so, the state-of-the-art in instrumentation, experimental protocols, and data analysis methods need to be developed so that the detailed surface structure and composition of biomedical devices can be determined and related to their biological performance. Examples of these advances, as well as areas for future developments, are described for immobilized proteins, complex biomedical surfaces, nanoparticles, and 2D/3D imaging of biological materials. PMID:28438024

Self-assembly of metal nanostructures on binary alloy surfaces

PubMed Central

Duguet, T.; Han, Yong; Yuen, Chad; Jing, Dapeng; Ünal, Barış; Evans, J. W.; Thiel, P. A.

2011-01-01

Deposition of metals on binary alloy surfaces offers new possibilities for guiding the formation of functional metal nanostructures. This idea is explored with scanning tunneling microscopy studies and atomistic-level analysis and modeling of nonequilibrium island formation. For Au/NiAl(110), complex monolayer structures are found and compared with the simple fcc(110) bilayer structure recently observed for Ag/NiAl(110). We also consider a more complex codeposition system, (Ni + Al)/NiAl(110), which offers the opportunity for fundamental studies of self-growth of alloys including deviations for equilibrium ordering. A general multisite lattice-gas model framework enables analysis of structure selection and morphological evolution in these systems. PMID:21097706

Synthesis of Bi0.9Nd0.1FeO3 multiferroic nanoceramic by sol-gel method and its structural, surface morphology and dielectric analysis

NASA Astrophysics Data System (ADS)

Das, S.; Bera, K. P.; Nath, T. K.

2017-05-01

Synthesis of Nd-doped BFO multiferroic nanoceramic by the conventional sol-gel method has been carried out. HRXRD and FESEM have been used for the structural analysis to confirm the triclinic structure and to obtain the surface morphology showing agglomeration and to find out the size of the nanoparticles. A high precision LCR meter has been used to record the dielectric constants at various temperatures. Several anomalies are observed whose physical explanations have been given. Space charge polarization effect and magnetoelectric coupling have been confirmed in the synthesized Bi0.9Nd0.1FeO3 nanoceramic sample.

Surface atomic structure characterization of SnSe and black phosphorus using selected area uLEED-IV via LEEM

NASA Astrophysics Data System (ADS)

Dai, Zhongwei; Grady, Maxwell; Yu, Jiexiang; Zang, Jiadong; Pohl, Karsten; Jin, Wencan; Kim, Young Duck; Hone, James; Dadap, Jerry; Osgood, Richard; Sadowski, Jerzy; Vishwanath, Suresh; Xing, Huili

Selected area diffraction intensity-voltage (μLEED-IV) analysis via low energy electron microscopy (LEEM) has the combined functionality of atomic surface structure determination and μm area selectivity, making it ideal for structural investigations of 2-D materials. SnSe thin films have been predicted and observed to be topological crystalline insulators. Previous studies suggested that SnSe has a preferred Se-terminated surface configuration. Using μLEED-IV, we determined that SnSe has, on the contrary, a stable Sn termination. This surface is stabilized through an oscillatory interlayer relaxation, which agrees with previous DFT predictions. Black phosphorus (BP) has an intrinsic layer-dependent bandgap ranging from 0.3 eV to 2 eV. Previous STM and DFT studies suggested BP surfaces have a buckling of 0.02 Å to 0.06 Å. We experimentally determined that the surface buckling of BP to be near 0.2 Å. We further propose, using DFT calculations, that this large surface buckling is induced by the presence of surface defects. The influence of this surface buckling on the electronic structures of BP is under investigation.

The structure of reconstructed chalcopyrite surfaces

NASA Astrophysics Data System (ADS)

Thinius, Sascha; Islam, Mazharul M.; Bredow, Thomas

2018-03-01

Chalcopyrite (CuFeS2) surfaces are of major interest for copper exploitation in aqueous solution, called leaching. Since leaching is a surface process knowledge of the surface structure, bonding pattern and oxidation states is important for improving the efficiency. At present such information is not available from experimental studies. Therefore a detailed computational study of chalcopyrite surfaces is performed. The structures of low-index stoichiometric chalcopyrite surfaces {hkl} h, k, l ∈ {0, 1, 2} have been studied with density functional theory (DFT) and global optimization strategies. We have applied ab initio molecular dynamics (MD) in combination with simulated annealing (SA) in order to explore possible reconstructions via a minima hopping (MH) algorithm. In almost all cases reconstruction involving substantial rearrangement has occurred accompanied by reduction of the surface energy. The analysis of the change in the coordination sphere and migration during reconstruction reveals that S-S dimers are formed on the surface. Further it was observed that metal atoms near the surface move toward the bulk forming metal alloys passivated by sulfur. The obtained surface energies of reconstructed surfaces are in the range of 0.53-0.95 J/m2.

Echelon approach to areas of concern in synoptic regional monitoring

USGS Publications Warehouse

Myers, Wayne; Patil, Ganapati P.; Joly, Kyle

1997-01-01

Echelons provide an objective approach to prospecting for areas of potential concern in synoptic regional monitoring of a surface variable. Echelons can be regarded informally as stacked hill forms. The strategy is to identify regions of the surface which are elevated relative to surroundings (Relative ELEVATIONS or RELEVATIONS). These are areas which would continue to expand as islands with receding (virtual) floodwaters. Levels where islands would merge are critical elevations which delimit echelons in the vertical dimension. Families of echelons consist of surface sectors constituting separate islands for deeper waters that merge as water level declines. Pits which would hold water are disregarded in such a progression, but a complementary analysis of pits is obtained using the surface as a virtual mould to cast a counter-surface (bathymetric analysis). An echelon tree is a family tree of echelons with peaks as terminals and the lowest level as root. An echelon tree thus provides a dendrogram representation of surface topology which enables graph theoretic analysis and comparison of surface structures. Echelon top view maps show echelon cover sectors on the base plane. An echelon table summarizes characteristics of echelons as instances or cases of hill form surface structure. Determination of echelons requires only ordinal strength for the surface variable, and is thus appropriate for environmental indices as well as measurements. Since echelons are inherent in a surface rather than perceptual, they provide a basis for computer-intelligent understanding of surfaces. Echelons are given for broad-scale mammalian species richness in Pennsylvania.

Surface Passivation for 3-5 Semiconductor Processing: Stable Gallium Sulphide Films by MOCVD

NASA Technical Reports Server (NTRS)

Macinnes, Andrew N.; Jenkins, Phillip P.; Power, Michael B.; Kang, Soon; Barron, Andrew R.; Hepp, Aloysius F.; Tabib-Azar, Massood

1994-01-01

Gallium sulphide (GaS) has been deposited on GaAs to form stable, insulating, passivating layers. Spectrally resolved photoluminescence and surface recombination velocity measurements indicate that the GaS itself can contribute a significant fraction of the photoluminescence in GaS/GaAs structures. Determination of surface recombination velocity by photoluminescence is therefore difficult. By using C-V analysis of metal-insulator-semiconductor structures, passivation of the GaAs with GaS films is quantified.

Surface Structures Formed by a Copper(II) Complex of Alkyl-Derivatized Indigo

PubMed Central

Honda, Akinori; Noda, Keisuke; Tamaki, Yoshinori; Miyamura, Kazuo

2016-01-01

Assembled structures of dyes have great influence on their coloring function. For example, metal ions added in the dyeing process are known to prevent fading of color. Thus, we have investigated the influence of an addition of copper(II) ion on the surface structure of alkyl-derivatized indigo. Scanning tunneling microscope (STM) analysis revealed that the copper(II) complexes of indigo formed orderly lamellar structures on a HOPG substrate. These lamellar structures of the complexes are found to be more stable than those of alkyl-derivatized indigos alone. Furthermore, 2D chirality was observed. PMID:28773957

Impact of water use efficiency on eddy covariance flux partitioning using correlation structure analysis

USDA-ARS?s Scientific Manuscript database

Partitioned land surfaces fluxes (e.g. evaporation, transpiration, photosynthesis, and ecosystem respiration) are needed as input, calibration, and validation data for numerous hydrological and land surface models. However, one of the most commonly used techniques for measuring land surface fluxes,...

Fatigue characteristics of SAE52100 steel via ultrasonic nanocrystal surface modification technology.

PubMed

Pyun, Young Sik; Suh, Chang Min; Yamaguchi, Tokutaro; Im, Jong Soon; Kim, Jun Hyong; Amanov, Auezhan; Park, Jeong Hyeon

2012-07-01

Ultrasonic nanocrystal surface modification (UNSM) technology is a novel surface modification technology that can improve the mechanical and tribological properties of interacting surfaces in relative motion. UNSM treatment was utilized to improve the wear resistance fatigue strength of slim bearing rings made of SAE52100 bearing steel without damaging the raceway surfaces. In this study, wear and fatigue results that were subjected to different impact loads of the UNSM treatment were investigated and compared with those of the untreated specimen. The microhardness of the UNSM-treated specimens increased by about 20%, higher than that of the untreated specimens. The X-ray diffraction analysis showed that a compressive residual stress of more than 1,000 MPa was induced after the UNSM treatment. Also, electron backscatter diffraction analysis was used to study the surface structure and nanograin refinement. The results showed that the rolling contact fatigue life and the rotary bending fatigue strength of the UNSM-treated specimens increased by about 80% and 31%, respectively, compared to those of the untreated specimen. These results might be attributed to the increased microhardness, the induced compressive residual stress, and the nanocrystal structure modification after the UNSM treatment. In addition, the fracture surface analysis showed that the fish eye crack initiation phenomenon was observed after the UNSM treatment.

Ab initio surface properties of Ag-Sn alloys: implications for lead-free soldering.

PubMed

Saleh, Gabriele; Xu, Chen; Sanvito, Stefano

2018-02-07

Ag and Sn are the major components of solder alloys adopted to assemble printed circuit boards. The qualities that make them the alloys of choice for the modern electronic industry are related to their physical and chemical properties. For corrosion resistance and solderability, surface properties are particularly important. Yet, atomic-level information about the surfaces of these alloys is not known. Here we fill this gap by presenting an extensive ab initio investigation of composition, energetics, structure and reactivity of Ag-Sn alloy surfaces. The structure and stability of various surfaces is evaluated, and the main factors determining the energetics of surface formation are uncovered. Oxygen and sulphur chemisorptions are studied and discussed in the framework of corrosion tendency, an important issue for printed circuit boards. Adsorption energy trends are rationalized based on the analysis of structural and electronic features.

Microwave limb sounder, graphite epoxy support structure

NASA Technical Reports Server (NTRS)

Pynchon, G.

1980-01-01

The manufacturing and processing procedures which were used to fabricate a precision graphite/epoxy support structure for a spherical microwave reflecting surface are described. The structure was made fromm GY-70/930 ultra high modulus graphite prepreg, laminated to achieve an isotropic in plane thermal expansion of less than + or - 0.1 PPM/F. The structure was hand assembled to match the interface of the reflective surface, which was an array of 18 flexure supported, aluminum, spherically contoured tiles. Structural adhesives were used in the final assembly to bond the elements into their final configuration. A eutectic metal coating was applied to the composite surface to reduce dimensional instabilities arising from changes in the composite epoxy moisture content due to environmental effects. Basic materials properties data are reported and the results of a finite element structural analysis are referenced.

Structural hierarchy in molecular films of two class II hydrophobins.

PubMed

Paananen, Arja; Vuorimaa, Elina; Torkkeli, Mika; Penttilä, Merja; Kauranen, Martti; Ikkala, Olli; Lemmetyinen, Helge; Serimaa, Ritva; Linder, Markus B

2003-05-13

Hydrophobins are highly surface-active proteins that are specific to filamentous fungi. They function as coatings on various fungal structures, enable aerial growth of hyphae, and facilitate attachment to surfaces. Little is known about their structures and structure-function relationships. In this work we show highly organized surface layers of hydrophobins, representing the most detailed structural study of hydrophobin films so far. Langmuir-Blodgett films of class II hydrophobins HFBI and HFBII from Trichoderma reesei were prepared and analyzed by atomic force microscopy. The films showed highly ordered two-dimensional crystalline structures. By combining our recent results on small-angle X-ray scattering of hydrophobin solutions, we found that the unit cells in the films have dimensions similar to those of tetrameric aggregates found in solutions. Further analysis leads to a model in which the building blocks of the two-dimensional crystals are shape-persistent supramolecules consisting of four hydrophobin molecules. The results also indicate functional and structural differences between HFBI and HFBII that help to explain differences in their properties. The possibility that the highly organized surface assemblies of hydrophobins could allow a route for manufacturing functional surfaces is suggested.

Strength and failure analysis of composite-to-composite adhesive bonds with different surface treatments

NASA Astrophysics Data System (ADS)

Paranjpe, Nikhil; Alamir, Mohammed; Alonayni, Abdullah; Asmatulu, Eylem; Rahman, Muhammad M.; Asmatulu, Ramazan

2018-03-01

Adhesives are widely utilized materials in aviation, automotive, energy, defense, and marine industries. Adhesive joints are gradually supplanting mechanical fasteners because they are lightweight structures, thus making the assembly lighter and easier. They also act as a sealant to prevent a structural joint from galvanic corrosion and leakages. Adhesive bonds provide high joint strength because of the fact that the load is distributed uniformly on the joint surface, while in mechanical joints, the load is concentrated at one point, thus leading to stress at that point and in turn causing joint failures. This research concentrated on the analysis of bond strength and failure loads in adhesive joint of composite-to-composite surfaces. Different durations of plasma along with the detergent cleaning were conducted on the composite surfaces prior to the adhesive applications and curing processes. The joint strength of the composites increased about 34% when the surface was plasma treated for 12 minutes. It is concluded that the combination of different surface preparations, rather than only one type of surface treatment, provides an ideal joint quality for the composites.

Finite element based contact analysis of radio frequency MEMs switch membrane surfaces

NASA Astrophysics Data System (ADS)

Liu, Jin-Ya; Chalivendra, Vijaya; Huang, Wenzhen

2017-10-01

Finite element simulations were performed to determine the contact behavior of radio frequency (RF) micro-electro-mechanical (MEM) switch contact surfaces under monotonic and cyclic loading conditions. Atomic force microscopy (AFM) was used to capture the topography of RF-MEM switch membranes and later they were analyzed for multi-scale regular as well as fractal structures. Frictionless, non-adhesive contact 3D finite element analysis was carried out at different length scales to investigate the contact behavior of the regular-fractal surface using an elasto-plastic material model. Dominant micro-scale regular patterns were found to significantly change the contact behavior. Contact areas mainly cluster around the regular pattern. The contribution from the fractal structure is not significant. Under cyclic loading conditions, plastic deformation in the 1st loading/unloading cycle smooth the surface. The subsequent repetitive loading/unloading cycles undergo elastic contact without changing the morphology of the contacting surfaces. The work is expected to shed light on the quality of the switch surface contact as well as the optimum design of RF MEM switch surfaces.

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.

Pulsed ion beam surface analysis as a means of [ital in] [ital situ] real-time analysis of thin films during growth

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

Krauss, A.R.; Lin, Y.; Auciello, O.

1994-07-01

Low-energy (5--15 keV) pulsed ion beam surface analysis comprises several different surface spectroscopies which possess the ability to provide a remarkably wide range of information directly relevant to the growth of single and multicomponent semiconductor, metal and metal-oxide thin films and layered structures. Ion beam methods have not however, been widely used as an [ital in] [ital situ] monitor of thin film growth because existing commercial instrumentation causes excessive film damage, physically conflicts with the deposition equipment, and requires a chamber pressure [similar to]10[sup [minus]7]--10[sup [minus]8] Torr, i.e., much lower than that associated with most deposition processes ([ge]10[sup [minus]4] Torr).more » We have developed time-of-flight ion scattering and recoil spectroscopy (TOF-SARS) as a nondestructive, [ital in] [ital situ], real-time probe of thin film composition and structure which does not physically interfere with the deposition process. Several TOF-SARS implementations are exceptionally surface specific, yet in a properly designed system can yield high-resolution data at ambient pressures well in excess of 10 mTorr (4--6 orders of magnitude higher than conventional surface analytic methods). Because of the exceptional surface specificity of these methods, TOF-SARS is ideally suited as a means of studying ultrathin layers and atomically abrupt interfaces. TOF-SARS instrumentation designed specifically for use as an [ital in] [ital situ], real-time monitor of growth processes for single and multicomponent thin films and layered structures is described here. Representative data are shown for [ital in] [ital situ] analysis of Pb and Zr layers at room temperature and high vacuum, as well as under conditions appropriate to the growth of Pb(Zr[sub [ital x

Method and apparatus for enhanced sequencing of complex molecules using surface-induced dissociation in conjunction with mass spectrometric analysis

DOEpatents

Laskin, Julia [Richland, WA; Futrell, Jean H [Richland, WA

2008-04-29

The invention relates to a method and apparatus for enhanced sequencing of complex molecules using surface-induced dissociation (SID) in conjunction with mass spectrometric analysis. Results demonstrate formation of a wide distribution of structure-specific fragments having wide sequence coverage useful for sequencing and identifying the complex molecules.

Surface Structure of TiO2 Rutile (011) Exposed to Liquid Water

PubMed Central

2017-01-01

The rutile TiO2(011) surface exhibits a (2 × 1) reconstruction when prepared by standard techniques in ultrahigh vacuum (UHV). Here we report that a restructuring occurs upon exposing the surface to liquid water at room temperature. The experiment was performed in a dedicated UHV system, equipped for direct and clean transfer of samples between UHV and liquid environment. After exposure to liquid water, an overlayer with a (2 × 1) symmetry was observed containing two dissociated water molecules per unit cell. The two OH groups yield an apparent “c(2 × 1)” symmetry in scanning tunneling microscopy (STM) images. On the basis of STM analysis and density functional theory (DFT) calculations, this overlayer is attributed to dissociated water on top of the unreconstructed (1 × 1) surface. Investigation of possible adsorption structures and analysis of the domain boundaries in this structure provide strong evidence that the original (2 × 1) reconstruction is lifted. Unlike the (2 × 1) reconstruction, the (1 × 1) surface has an appropriate density and symmetry of adsorption sites. The possibility of contaminant-induced restructuring was excluded based on X-ray photoelectron spectroscopy (XPS) and low-energy He+ ion scattering (LEIS) measurements. PMID:29285204

Surface geometry of protoplanetary disks inferred from near-infrared imaging polarimetry

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

Takami, Michihiro; Hasegawa, Yasuhiro; Gu, Pin-Gao

2014-11-01

We present a new method of analysis for determining the surface geometry of five protoplanetary disks observed with near-infrared imaging polarimetry using Subaru-HiCIAO. Using as inputs the observed distribution of polarized intensity (PI), disk inclination, assumed properties for dust scattering, and other reasonable approximations, we calculate a differential equation to derive the surface geometry. This equation is numerically integrated along the distance from the star at a given position angle. We show that, using these approximations, the local maxima in the PI distribution of spiral arms (SAO 206462, MWC 758) and rings (2MASS J16042165-2130284, PDS 70) are associated with localmore » concave-up structures on the disk surface. We also show that the observed presence of an inner gap in scattered light still allows the possibility of a disk surface that is parallel to the light path from the star, or a disk that is shadowed by structures in the inner radii. Our analysis for rings does not show the presence of a vertical inner wall as often assumed in studies of disks with an inner gap. Finally, we summarize the implications of spiral and ring structures as potential signatures of ongoing planet formation.« less

Surface characterization and chemical analysis of bamboo substrates pretreated by alkali hydrogen peroxide.

PubMed

Song, Xueping; Jiang, Yan; Rong, Xianjian; Wei, Wei; Wang, Shuangfei; Nie, Shuangxi

2016-09-01

The surface characterization and chemical analysis of bamboo substrates by alkali hydrogen peroxide pretreatment (AHPP) were investigated in this study. The results tended to manifest that AHPP prior to enzymatic and chemical treatment was potential for improving accessibility and reactivity of bamboo substrates. The inorganic components, organic solvent extractives and acid-soluble lignin were effectively removed by AHPP. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface of bamboo chips had less lignin but more carbohydrate after pre-treatment. Fiber surfaces became etched and collapsed, and more pores and debris on the substrate surface were observed with Scanning Electron Microscopy (SEM). Brenauer-Emmett-Teller (BET) results showed that both of pore volume and surface area were increased after AHPP. Although XRD analysis showed that AHPP led to relatively higher crystallinity, pre-extraction could overall enhance the accessibility of enzymes and chemicals into the bamboo structure. Copyright © 2016. Published by Elsevier Ltd.

Detailed Structural Analyses of KOH Activated Carbon from Waste Coffee Beans

NASA Astrophysics Data System (ADS)

Takahata, Tomokazu; Toda, Ikumi; Ono, Hiroki; Ohshio, Shigeo; Akasaka, Hiroki; Himeno, Syuji; Kokubu, Toshinori; Saitoh, Hidetoshi

2009-11-01

The relationship of the detailed structural change of KOH activated carbon and hydrogen storage ability was investigated in activated carbon materials fabricated from waste coffee beans. The specific surface area of porous carbon materials calculated from N2 adsorption isotherms stood at 2070 m2/g when the weight ratio of KOH to carbon materials was 5:1, and pore size was in the range of approximately 0.6 to 1.1 nm as micropores. In the structural analysis, X-ray diffraction analysis and Raman spectroscopy indicated structural change in these carbon materials through KOH activation. The order of the graphite structure changed to a smaller scale with this activation. It is theorized that specific surface area increased using micropores provided by carbon materials developed from the descent of the graphite structure. Hydrogen storage ability improved with these structural changes, and reached 0.6 wt % at 2070 m2/g. These results suggest that hydrogen storage ability is conferred by the chemical effect on graphite of carbon materials.

Surface modification of Ti alloy by electro-explosive alloying and electron-beam treatment

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

Gromov, Victor, E-mail: gromov@physics.sibsiu.ru; Kobzareva, Tatiana, E-mail: kobzarevatanya@mail.ru; Budovskikh, Evgeniy, E-mail: budovskih-ea@physics.sibsiu.ru

2016-01-15

By methods of modern physical metallurgy the analysis of structure phase states of titanium alloy VT6 is carried out after electric explosion alloying with boron carbide and subsequent irradiation by pulsed electron beam. The formation of an electro-explosive alloying zone of a thickness up to 50 µm, having a gradient structure, characterized by decrease in the concentration of carbon and boron with increasing distance to the treatable surface has been revealed. Subsequent electron-beam treatment of alloying zone leads to smoothing of the alloying area surface and is accompanied by the multilayer structure formation at the depth of 30 µm withmore » alternating layers with different alloying degrees having the structure of submicro - and nanoscale level.« less

Tree-shaped fractal meta-surface with left-handed characteristics for absorption application

NASA Astrophysics Data System (ADS)

Faruque, M. R. I.; Hasan, M. M.; Islam, M. T.

2018-02-01

A tri-band fractal meta-surface absorber composed of metallic branches of a tree connected with a straight metal strip has been presented in this paper for high absorption application. The proposed tree-shaped structure shows resonance in C-, X-, and Ku-bands and left-handed characteristics in 14.15 GHz. The dimension of the tree-shaped meta-surface single unit cell structure is 9 × 9 mm2 and the effective medium ratio is 5.50. In addition, the designed absorber structure shows absorption above 84%, whereas the absorber structure printed on epoxy resin fiber substrate material. The FIT-based CST-MWS has been utilized for the design, simulation, and analysis purposes. Fabrication is also done for the experimental validation.

Condensation on superhydrophobic surfaces: the role of local energy barriers and structure length scale.

PubMed

Enright, Ryan; Miljkovic, Nenad; Al-Obeidi, Ahmed; Thompson, Carl V; Wang, Evelyn N

2012-10-09

Water condensation on surfaces is a ubiquitous phase-change process that plays a crucial role in nature and across a range of industrial applications, including energy production, desalination, and environmental control. Nanotechnology has created opportunities to manipulate this process through the precise control of surface structure and chemistry, thus enabling the biomimicry of natural surfaces, such as the leaves of certain plant species, to realize superhydrophobic condensation. However, this "bottom-up" wetting process is inadequately described using typical global thermodynamic analyses and remains poorly understood. In this work, we elucidate, through imaging experiments on surfaces with structure length scales ranging from 100 nm to 10 μm and wetting physics, how local energy barriers are essential to understand non-equilibrium condensed droplet morphologies and demonstrate that overcoming these barriers via nucleation-mediated droplet-droplet interactions leads to the emergence of wetting states not predicted by scale-invariant global thermodynamic analysis. This mechanistic understanding offers insight into the role of surface-structure length scale, provides a quantitative basis for designing surfaces optimized for condensation in engineered systems, and promises insight into ice formation on surfaces that initiates with the condensation of subcooled water.

Validation Tests of Fiber Optic Strain-Based Operational Shape and Load Measurements

NASA Technical Reports Server (NTRS)

Bakalyar, John A.; Jutte, Christine

2012-01-01

Aircraft design has been progressing toward reduced structural weight to improve fuel efficiency, increase performance, and reduce cost. Lightweight aircraft structures are more flexible than conventional designs and require new design considerations. Intelligent sensing allows for enhanced control and monitoring of aircraft, which enables increased structurally efficiency. The NASA Dryden Flight Research Center (DFRC) has developed an instrumentation system and analysis techniques that combine to make distributed structural measurements practical for lightweight vehicles. Dryden's Fiber Optic Strain Sensing (FOSS) technology enables a multitude of lightweight, distributed surface strain measurements. The analysis techniques, referred to as the Displacement Transfer Functions (DTF) and Load Transfer Functions (LTF), use surface strain values to calculate structural deflections and operational loads. The combined system is useful for real-time monitoring of aeroelastic structures, along with many other applications. This paper describes how the capabilities of the measurement system were demonstrated using subscale test articles that represent simple aircraft structures. Empirical FOSS strain data were used within the DTF to calculate the displacement of the article and within the LTF to calculate bending moments due to loads acting on the article. The results of the tests, accuracy of the measurements, and a sensitivity analysis are presented.

Structure function analysis of two-scale Scalar Ramps. Part II: Coherent structure scaling and surface renewal applications

USDA-ARS?s Scientific Manuscript database

Structure functions are used to study the dissipation and inertial range scales of turbulent energy, to parameterize remote turbulence measurements, and to characterize ramp features in the turbulent field. The ramp features are associated with turbulent coherent structures, which dominate energy a...

An orientation analysis method for protein immobilized on quantum dot particles

NASA Astrophysics Data System (ADS)

Aoyagi, Satoka; Inoue, Masae

2009-11-01

The evaluation of orientation of biomolecules immobilized on nanodevices is crucial for the development of high performance devices. Such analysis requires ultra high sensitivity so as to be able to detect less than one molecular layer on a device. Time-of-flight secondary ion mass spectrometry (TOF-SIMS) has sufficient sensitivity to evaluate the uppermost surface structure of a single molecular layer. The objective of this study is to develop an orientation analysis method for proteins immobilized on nanomaterials such as quantum dot particles, and to evaluate the orientation of streptavidin immobilized on quantum dot particles by means of TOF-SIMS. In order to detect fragment ions specific to the protein surface, a monoatomic primary ion source (Ga +) and a cluster ion source (Au 3+) were employed. Streptavidin-immobilized quantum dot particles were immobilized on aminosilanized ITO glass plates at amino groups by covalent bonding. The reference samples streptavidin directly immobilized on ITO plates were also prepared. All samples were dried with a freeze dryer before TOF-SIMS measurement. The positive secondary ion spectra of each sample were obtained using TOF-SIMS with Ga + and Au 3+, respectively, and then they were compared so as to characterize each sample and detect the surface structure of the streptavidin immobilized with the biotin-immobilized quantum dots. The chemical structures of the upper surface of the streptavidin molecules immobilized on the quantum dot particles were evaluated with TOF-SIMS spectra analysis. The indicated surface side of the streptavidin molecules immobilized on the quantum dots includes the biotin binding site.

Reentry heat transfer analysis of the space shuttle orbiter

NASA Technical Reports Server (NTRS)

Ko, W. L.; Quinn, R. D.; Gong, L.

1982-01-01

A structural performance and resizing finite element thermal analysis computer program was used in the reentry heat transfer analysis of the space shuttle. Two typical wing cross sections and a midfuselage cross section were selected for the analysis. The surface heat inputs to the thermal models were obtained from aerodynamic heating analyses, which assumed a purely turbulent boundary layer, a purely laminar boundary layer, separated flow, and transition from laminar to turbulent flow. The effect of internal radiation was found to be quite significant. With the effect of the internal radiation considered, the wing lower skin temperature became about 39 C (70 F) lower. The results were compared with fight data for space transportation system, trajectory 1. The calculated and measured temperatures compared well for the wing if laminar flow was assumed for the lower surface and bay one upper surface and if separated flow was assumed for the upper surfaces of bays other than bay one. For the fuselage, good agreement between the calculated and measured data was obtained if laminar flow was assumed for the bottom surface. The structural temperatures were found to reach their peak values shortly before touchdown. In addition, the finite element solutions were compared with those obtained from the conventional finite difference solutions.

Thermal Analysis of a Metallic Wing Glove for a Mach-8 Boundary-Layer Experiment

NASA Technical Reports Server (NTRS)

Gong, Leslie; Richards, W. Lance

1998-01-01

A metallic 'glove' structure has been built and attached to the wing of the Pegasus(trademark) space booster. An experiment on the upper surface of the glove has been designed to help validate boundary-layer stability codes in a free-flight environment. Three-dimensional thermal analyses have been performed to ensure that the glove structure design would be within allowable temperature limits in the experiment test section of the upper skin of the glove. Temperature results obtained from the design-case analysis show a peak temperature at the leading edge of 490 F. For the upper surface of the glove, approximately 3 in. back from the leading edge, temperature calculations indicate transition occurs at approximately 45 sec into the flight profile. A worst-case heating analysis has also been performed to ensure that the glove structure would not have any detrimental effects on the primary objective of the Pegasus a launch. A peak temperature of 805 F has been calculated on the leading edge of the glove structure. The temperatures predicted from the design case are well within the temperature limits of the glove structure, and the worst-case heating analysis temperature results are acceptable for the mission objectives.

Determination of a Two-Phase Structure of Nanocrystals: GaN and SiC

NASA Technical Reports Server (NTRS)

Palosz, W.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Lojkowski, W.; Bismayer, U.; Neuefeind, J.; Weber, H.-P.; Janik, J. F.;

Structure and Dynamics of Interfaces: Drops and Films

NASA Technical Reports Server (NTRS)

Mann, J. Adin, Jr.; Mann, Elizabeth K.; Meyer, William V.; Neumann, A. Wilhelm; Tavana, Hossein

2015-01-01

We aim to acquire measurements of the structure and dynamics of certain liquid-fluid interfaces using an ensemble of techniques in collaboration: (1) Total internal reflection (TIR) Surface light scattering spectroscopy (SLSS), (2) Brewster angle microscopy (BAM), and (3) Drop-shape analysis. SLSS and BAM can be done on a shared interfacial footprint. Results using a 50-50 mixture of pentane-isohexane, which extends the range of NASA's Confined Vapor Bubble (CVB) experiment, yield surface tension results that differ from the expected Langmuir Fit. These results were confirmed using both the SLSS and drop-shape analysis approaches.

Exploring new topography-based subgrid spatial structures for improving land surface modeling

DOE PAGES

Tesfa, Teklu K.; Leung, Lai-Yung Ruby

2017-02-22

Topography plays an important role in land surface processes through its influence on atmospheric forcing, soil and vegetation properties, and river network topology and drainage area. Land surface models with a spatial structure that captures spatial heterogeneity, which is directly affected by topography, may improve the representation of land surface processes. Previous studies found that land surface modeling, using subbasins instead of structured grids as computational units, improves the scalability of simulated runoff and streamflow processes. In this study, new land surface spatial structures are explored by further dividing subbasins into subgrid structures based on topographic properties, including surface elevation,more » slope and aspect. Two methods (local and global) of watershed discretization are applied to derive two types of subgrid structures (geo-located and non-geo-located) over the topographically diverse Columbia River basin in the northwestern United States. In the global method, a fixed elevation classification scheme is used to discretize subbasins. The local method utilizes concepts of hypsometric analysis to discretize each subbasin, using different elevation ranges that also naturally account for slope variations. The relative merits of the two methods and subgrid structures are investigated for their ability to capture topographic heterogeneity and the implications of this on representations of atmospheric forcing and land cover spatial patterns. Results showed that the local method reduces the standard deviation (SD) of subgrid surface elevation in the study domain by 17 to 19 % compared to the global method, highlighting the relative advantages of the local method for capturing subgrid topographic variations. The comparison between the two types of subgrid structures showed that the non-geo-located subgrid structures are more consistent across different area threshold values than the geo-located subgrid structures. Altogether the local method and non-geo-located subgrid structures effectively and robustly capture topographic, climatic and vegetation variability, which is important for land surface modeling.« less

Exploring new topography-based subgrid spatial structures for improving land surface modeling

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

Tesfa, Teklu K.; Leung, Lai-Yung Ruby

Topography plays an important role in land surface processes through its influence on atmospheric forcing, soil and vegetation properties, and river network topology and drainage area. Land surface models with a spatial structure that captures spatial heterogeneity, which is directly affected by topography, may improve the representation of land surface processes. Previous studies found that land surface modeling, using subbasins instead of structured grids as computational units, improves the scalability of simulated runoff and streamflow processes. In this study, new land surface spatial structures are explored by further dividing subbasins into subgrid structures based on topographic properties, including surface elevation,more » slope and aspect. Two methods (local and global) of watershed discretization are applied to derive two types of subgrid structures (geo-located and non-geo-located) over the topographically diverse Columbia River basin in the northwestern United States. In the global method, a fixed elevation classification scheme is used to discretize subbasins. The local method utilizes concepts of hypsometric analysis to discretize each subbasin, using different elevation ranges that also naturally account for slope variations. The relative merits of the two methods and subgrid structures are investigated for their ability to capture topographic heterogeneity and the implications of this on representations of atmospheric forcing and land cover spatial patterns. Results showed that the local method reduces the standard deviation (SD) of subgrid surface elevation in the study domain by 17 to 19 % compared to the global method, highlighting the relative advantages of the local method for capturing subgrid topographic variations. The comparison between the two types of subgrid structures showed that the non-geo-located subgrid structures are more consistent across different area threshold values than the geo-located subgrid structures. Altogether the local method and non-geo-located subgrid structures effectively and robustly capture topographic, climatic and vegetation variability, which is important for land surface modeling.« less

WIPP conceptual design report. Addendum A. Design calculations for Waste Isolation Pilot Plant (WIPP)

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

Not Available

1977-04-01

The design calculations for the Waste Isolation Pilot Plant (WIPP) are presented. The following categories are discussed: general nuclear calculations; radwaste calculations; structural calculations; mechanical calculations; civil calculations; electrical calculations; TRU waste surface facility time and motion analysis; shaft sinking procedures; hoist time and motion studies; mining system analysis; mine ventilation calculations; mine structural analysis; and miscellaneous underground calculations.

Variable Structure Control of a Hand-Launched Glider

NASA Technical Reports Server (NTRS)

Anderson, Mark R.; Waszak, Martin R.

2005-01-01

Variable structure control system design methods are applied to the problem of aircraft spin recovery. A variable structure control law typically has two phases of operation. The reaching mode phase uses a nonlinear relay control strategy to drive the system trajectory to a pre-defined switching surface within the motion state space. The sliding mode phase involves motion along the surface as the system moves toward an equilibrium or critical point. Analysis results presented in this paper reveal that the conventional method for spin recovery can be interpreted as a variable structure controller with a switching surface defined at zero yaw rate. Application of Lyapunov stability methods show that deflecting the ailerons in the direction of the spin helps to insure that this switching surface is stable. Flight test results, obtained using an instrumented hand-launched glider, are used to verify stability of the reaching mode dynamics.

Atmospheric-pressure plasma activation and surface characterization on polyethylene membrane separator

NASA Astrophysics Data System (ADS)

Tseng, Yu-Chien; Li, Hsiao-Ling; Huang, Chun

2017-01-01

The surface hydrophilic activation of a polyethylene membrane separator was achieved using an atmospheric-pressure plasma jet. The surface of the atmospheric-pressure-plasma-treated membrane separator was found to be highly hydrophilic realized by adjusting the plasma power input. The variations in membrane separator chemical structure were confirmed by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. Chemical analysis showed newly formed carbonyl-containing groups and high surface concentrations of oxygen-containing species on the atmospheric-pressure-plasma-treated polymeric separator surface. It also showed that surface hydrophilicity primarily increased from the polar component after atmospheric-pressure plasma treatment. The surface and pore structures of the polyethylene membrane separator were examined by scanning electron microscopy, revealing a slight alteration in the pore structure. As a result of the incorporation of polar functionalities by atmospheric-pressure plasma activation, the electrolyte uptake and electrochemical impedance of the atmospheric-pressure-plasma-treated membrane separator improved. The investigational results show that the separator surface can be controlled by atmospheric-pressure plasma surface treatment to tailor the hydrophilicity and enhance the electrochemical performance of lithium ion batteries.

Structural Feasibility Analysis of a Robotically Assembled Very Large Aperture Optical Space Telescope

NASA Technical Reports Server (NTRS)

Wilkie, William Keats; Williams, R. Brett; Agnes, Gregory S.; Wilcox, Brian H.

2007-01-01

This paper presents a feasibility study of robotically constructing a very large aperture optical space telescope on-orbit. Since the largest engineering challenges are likely to reside in the design and assembly of the 150-m diameter primary reflector, this preliminary study focuses on this component. The same technology developed for construction of the primary would then be readily used for the smaller optical structures (secondary, tertiary, etc.). A reasonable set of ground and on-orbit loading scenarios are compiled from the literature and used to define the structural performance requirements and size the primary reflector. A surface precision analysis shows that active adjustment of the primary structure is required in order to meet stringent optical surface requirements. Two potential actuation strategies are discussed along with potential actuation devices at the current state of the art. The finding of this research effort indicate that successful technology development combined with further analysis will likely enable such a telescope to be built in the future.

Test Cases for Modeling and Validation of Structures with Piezoelectric Actuators

NASA Technical Reports Server (NTRS)

Reaves, Mercedes C.; Horta, Lucas G.

2001-01-01

A set of benchmark test articles were developed to validate techniques for modeling structures containing piezoelectric actuators using commercially available finite element analysis packages. The paper presents the development, modeling, and testing of two structures: an aluminum plate with surface mounted patch actuators and a composite box beam with surface mounted actuators. Three approaches for modeling structures containing piezoelectric actuators using the commercially available packages: MSC/NASTRAN and ANSYS are presented. The approaches, applications, and limitations are discussed. Data for both test articles are compared in terms of frequency response functions from deflection and strain data to input voltage to the actuator. Frequency response function results using the three different analysis approaches provided comparable test/analysis results. It is shown that global versus local behavior of the analytical model and test article must be considered when comparing different approaches. Also, improper bonding of actuators greatly reduces the electrical to mechanical effectiveness of the actuators producing anti-resonance errors.

Surface capillary currents: Rediscovery of fluid-structure interaction by forced evolving boundary theory

NASA Astrophysics Data System (ADS)

Wang, Chunbai; Mitra, Ambar K.

2016-01-01

Any boundary surface evolving in viscous fluid is driven with surface capillary currents. By step function defined for the fluid-structure interface, surface currents are found near a flat wall in a logarithmic form. The general flat-plate boundary layer is demonstrated through the interface kinematics. The dynamics analysis elucidates the relationship of the surface currents with the adhering region as well as the no-slip boundary condition. The wall skin friction coefficient, displacement thickness, and the logarithmic velocity-defect law of the smooth flat-plate boundary-layer flow are derived with the advent of the forced evolving boundary method. This fundamental theory has wide applications in applied science and engineering.

Flow Structure and Surface Topology on a UCAV Planform

NASA Astrophysics Data System (ADS)

Elkhoury, Michel; Yavuz, Metin; Rockwell, Donald

2003-11-01

Flow past a X-45 UCAV planform involves the complex generation and interaction of vortices, their breakdown and occurrence of surface separation and stall. A cinema technique of high-image-density particle image velocimetry, in conjunction with dye visualization, allows characterization of the time-averaged and instantaneous states of the flow, in terms of critical points of the near-surface streamlines. These features are related to patterns of surface normal vorticity and velocity fluctuation. Spectral analysis of the naturally occurring unsteadiness of the flow allows definition of the most effective frequencies for small-amplitude perturbation of the wing, which leads to substantial alterations of the aforementioned patterns of flow structure and topology adjacent to the surface.

Transmittance enhancement of sapphires with antireflective subwavelength grating patterned UV polymer surface structures by soft lithography.

PubMed

Lee, Soo Hyun; Leem, Jung Woo; Yu, Jae Su

2013-12-02

We report the total and diffuse transmission enhancement of sapphires with the ultraviolet curable SU8 polymer surface structures consisting of conical subwavelength gratings (SWGs) at one- and both-side surfaces for different periods. The SWGs patterns on the silicon templates were transferred into the SU8 polymer film surface on sapphires by a simple and cost-effective soft lithography technique. For the fabricated samples, the surface morphologies, wetting behaviors, and optical characteristics were investigated. For theoretical optical analysis, a rigorous coupled-wave analysis method was used. At a period of 350 nm, the sample with SWGs on SU8 film/sapphire exhibited a hydrophobic surface and higher total transmittance compared to the bare sapphire over a wide wavelength of 450-1000 nm. As the period of SWGs was increased, the low total transmittance region of < 85% was shifted towards the longer wavelengths and became broader while the diffuse transmittance was increased (i.e., larger haze ratio). For the samples with SWGs at both-side surfaces, the total and diffuse transmittance spectra were further enhanced compared to the samples with SWGs at one-side surface. The theoretical optical calculation results showed a similar trend to the experimentally measured data.

Synthesis, spectral characterization and X-ray crystal structure studies of 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide: Hirshfeld surface, DFT and thermal analysis

NASA Astrophysics Data System (ADS)

Kumara, Karthik; Dileep Kumar, A.; Naveen, S.; Ajay Kumar, K.; Lokanath, N. K.

2018-06-01

A novel pyrazole derivative, 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide was synthesized and characterized by elemental analysis, FT-IR, NMR (1H and 13C), MS, UV-visible spectra and finally the structure was confirmed by the single crystal X-ray diffraction studies. The title compound (C16H15N3O3S) crystallized in the triclinic crystal system, with the space group Pī. A dihedral angle of 65.84(1)° between the pyrazole and the thiophene rings confirms the twisted conformation between them. The X-ray structure revealed that the pyrazole ring adopts an E-form and an envelope conformation on C7 atom. The crystal and molecular structure of the title compound is stabilized by inter molecular hydrogen bonds. The compound possesses three dimensional supramolecular self-assembly, in which Csbnd H⋯O and Nsbnd H⋯O chains build up two dimensional arrays, which are extended to 3D network through Csbnd H···Cg and Csbnd O···Cg interactions. The structure also exhibits intramolecular hydrogen bonds of the type Nsbnd H⋯N and π···π stacking interactions, which contributes to the crystal packing. Further, Hirshfeld surface analysis was carried out for the graphical visualization of several short intermolecular interactions on the molecular surface while the 2D finger-print plot provides percentage contribution of each individual atom-to-atom interactions. The thermal decomposition of the compound has been studied by thermogravimetric analysis. The molecular geometries and electronic structures of the compounds were fully optimized, calculated with ab-initio methods by HF, DFT/B3LYP functional in combination of different basis set with different solvent environment and the structural parameters were compared with the experimental data. The Mulliken atomic charges and molecular electrostatic potential on molecular van der Waals (vdW) surface were calculated to know the electrophilic and nucleophilic regions of the molecular surface. Nonlinear optical properties of the title compound were also discussed based on the polarizability and hyperpolarizability values.

Fabrication of hierarchical polymer surfaces with superhydrophobicity by injection molding from nature and function-oriented design

NASA Astrophysics Data System (ADS)

Weng, Can; Wang, Fei; Zhou, Mingyong; Yang, Dongjiao; Jiang, Bingyan

2018-04-01

A comparison of processes and wettability characteristics was presented for injection molded superhydrophobic polypropylene surfaces from two fabricating strategies. One is the biomimetic replication of patterns from indocalamus leaf in nature. The contact angle of water sitting on this PP surface was measured as 152 ± 2°, with comparable wetting behavior to natural indocalamus leaf surface. The other strategy is the fabrication of superhydrophobic structure by combining methods that produce structures at different length scales. Regarding both the machinability of mold inserts and function-oriented design, three micro-quadrangular arrays and one hierarchical micro-nano cylinder array were designed with the goal of superhydrophobicity. Particularly, a simple approach to the fabrication of hierarchical structures was proposed by combining the anodized plate and the punching plate. The function-oriented design targets as superhydrophobicity were all reached for the designed four structures. The measured contact angles of droplet for these structures were almost consistent with the calculated equilibrium contact angles from thermodynamic analysis. Among them, the contact angle of droplet on the surface of designed hierarchical structure reached about 163° with the sliding angle of 5°, resulting in self-cleaning characteristic. The superhydrophobicity of function-oriented designed polymer surfaces could be modified and controlled, which is exactly the limitation of replicating from natural organisms.

Semi-automatic mapping of geological Structures using UAV-based photogrammetric data: An image analysis approach

NASA Astrophysics Data System (ADS)

Vasuki, Yathunanthan; Holden, Eun-Jung; Kovesi, Peter; Micklethwaite, Steven

2014-08-01

Recent advances in data acquisition technologies, such as Unmanned Aerial Vehicles (UAVs), have led to a growing interest in capturing high-resolution rock surface images. However, due to the large volumes of data that can be captured in a short flight, efficient analysis of this data brings new challenges, especially the time it takes to digitise maps and extract orientation data. We outline a semi-automated method that allows efficient mapping of geological faults using photogrammetric data of rock surfaces, which was generated from aerial photographs collected by a UAV. Our method harnesses advanced automated image analysis techniques and human data interaction to rapidly map structures and then calculate their dip and dip directions. Geological structures (faults, joints and fractures) are first detected from the primary photographic dataset and the equivalent three dimensional (3D) structures are then identified within a 3D surface model generated by structure from motion (SfM). From this information the location, dip and dip direction of the geological structures are calculated. A structure map generated by our semi-automated method obtained a recall rate of 79.8% when compared against a fault map produced using expert manual digitising and interpretation methods. The semi-automated structure map was produced in 10 min whereas the manual method took approximately 7 h. In addition, the dip and dip direction calculation, using our automated method, shows a mean±standard error of 1.9°±2.2° and 4.4°±2.6° respectively with field measurements. This shows the potential of using our semi-automated method for accurate and efficient mapping of geological structures, particularly from remote, inaccessible or hazardous sites.

Synthesis, structural, thermal and Hirshfeld surface analysis of novel [1,2,4]triazolo[3,4-b][1,3,4] thiadiazine carrying 1,4-benzothiazine-3-one moiety

NASA Astrophysics Data System (ADS)

Shruthi, C.; Ravindrachary, V.; Guruswamy, B.; Lokanath, N. K.; Kumara, Karthik; Goveas, Janet

2018-05-01

Needle shaped single crystal of the title compound was grown by slow evaporation solution growth technique using ethanol as solvent. The grown single crystal was characterized using FT-IR, Single crystal XRD and Thermal analysis. The FT-IR spectrum confirms the molecular structure and identifies the different functional groups present in the compound. Single crystal XRD study reveals that the crystallized compound belongs to the monoclinic crystal system with P21/c space group and the corresponding cell parameters were identified. The thermal stability of the material was determined using both TGA and DTA analysis. The intermolecular interaction of each individual atom in the crystal lattice was estimated using Hirshfeld surface and finger print analysis.

The effect of high energy concentration source irradiation on structure and properties of Fe-based bulk metallic glass

NASA Astrophysics Data System (ADS)

Pilarczyk, Wirginia

2016-06-01

Metallic glasses exhibit metastable structure and maintain this relatively stable amorphous state within certain temperature range. High intensity laser beam was used for the surface irradiation of Fe-Co-B-Si-Nb bulk metallic glasses. The variable parameter was laser beam pulse energy. For the analysis of structure and properties of bulk metallic glasses and their surface after laser remelting the X-ray analysis, microscopic observation and test of mechanical properties were carried out. Examination of the nanostructure of amorphous materials obtained by high pressure copper mold casting method and the irradiated with the use of TITAN 80-300 HRTEM was carried out. Nanohardness and reduced Young's modulus of particular amorphous and amorphous-crystalline material zone of the laser beam were examined with the use of Hysitron TI950 Triboindenter nanoindenter and with the use of Berkovich's indenter. The XRD and microscopic analysis showed that the test material is amorphous in its structure before irradiation. Microstructure observation with electron transmission microscopy gave information about alloy crystallization in the irradiated process. Identification of given crystal phases allows to determine the kind of crystal phases created in the first place and also further changes of phase composition of alloy. The main value of the nanohardness of the surface prepared by laser beam has the order of magnitude similar to bulk metallic glasses formed by casting process irrespective of the laser beam energy used. Research results analysis showed that the area between parent material and fusion zone is characterized by extraordinarily interesting structure which is and will be the subject of further analysis in the scope of bulk metallic glasses amorphous structure and high energy concentration source. The main goal of this work is the results' presentation of structure and chosen properties of the selected bulk metallic glasses after casting process and after irradiation process employing the high energy concentration sources.

Oxide surfaces and metal/oxide interfaces studied by grazing incidence X-ray scattering

NASA Astrophysics Data System (ADS)

Renaud, Gilles

Experimental determinations of the atomic structure of insulating oxide surfaces and metal/oxide interfaces are scarce, because surface science techniques are often limited by the insulating character of the substrate. Grazing incidence X-ray scattering (GIXS), which is not subject to charge effects, can provide very precise information on the atomic structure of oxide surfaces: roughness, relaxation and reconstruction. It is also well adapted to analyze the atomic structure, the registry, the misfit relaxation, elastic or plastic, the growth mode and the morphology of metal/oxide interfaces during their growth, performed in situ. GIXS also allows the analysis of thin films and buried interfaces, in a non-destructive way, yielding the epitaxial relationships, and, by variation of the grazing incidence angle, the lattice parameter relaxation along the growth direction. On semi-coherent interfaces, the existence of an ordered network of interfacial misfit dislocations can be demonstrated, its Burger's vector determined, its ordering during in situ annealing cycles followed, and sometimes even its atomic structure can be addressed. Careful analysis during growth allows the modeling of the dislocation nucleation process. This review emphasizes the new information that GIXS can bring to oxide surfaces and metal/oxide interfaces by comparison with other surface science techniques. The principles of X-ray diffraction by surfaces and interfaces are recalled, together with the advantages and properties of grazing angles. The specific experimental requirements are discussed. Recent results are presented on the determination of the atomic structure of relaxed or reconstructed oxide surfaces. A description of results obtained during the in situ growth of metal on oxide surfaces is also given, as well as investigations of thick metal films on oxide surfaces, with lattice parameter misfit relaxed by an array of dislocations. Recent work performed on oxide thin films having important physical properties such as superconductivity or magnetism is also briefly reviewed. The strengths and limitations of the technique, such as the need for single crystals and surfaces of high crystalline quality are discussed. Finally, an outlook of future prospects in the field is given, such as the study of more complex oxide surfaces, vicinal surfaces, reactive metal/oxide interfaces, metal oxidation processes, the use of surfactants to promote wetting of a metal deposited on an oxide surface or the study of oxide/liquid interfaces in a non-UHV environment.

Low-energy electron diffraction study of Si(111)-(√3x √3)R30∘ -B

NASA Astrophysics Data System (ADS)

Marino, K. E.; Huang, Y. T.; Diehl, R. D.; Tu, Weison; Mulugeta, Daniel; Snijders, P. C.; Weitering, H. H.

2014-03-01

Metal-semiconductor interfaces are important for the function and manufacture of advanced electronics, such as those used in computers, tablets and phones. They also exhibit many interesting physical phenomena that are interesting from a fundamental point of view, including exotic phases and phase transitions. This study involves the analysis and modeling of the surface structure of a thin film of boron on the Si(111) surface. The addition of metal atoms to the surface of Si(111) simplifies its structure by removing a ``rippling'' that is present on the clean surface. The low-energy electron diffraction (LEED) data were measured at a surface temperature of 80 K at ORNL. The LEED analysis utilized the SATLEED analysis programs. The results are similar to those obtained in an earlier LEED study for this interface, but the precision is higher due to the larger dataset employed., The results of this study will be compared to other studies of this and similar systems. We acknowledge the Eberly College of Science for funding this project. González, Guo, Ortega, Flores, Weitering. Phys. Rev. Lett. 102, 115501 (2009)

Fault Analysis on Bevel Gear Teeth Surface Damage of Aeroengine

NASA Astrophysics Data System (ADS)

Cheng, Li; Chen, Lishun; Li, Silu; Liang, Tao

2017-12-01

Aiming at the trouble phenomenon for bevel gear teeth surface damage of Aero-engine, Fault Tree of bevel gear teeth surface damage was drawing by logical relations, the possible cause of trouble was analyzed, scanning electron-microscope, energy spectrum analysis, Metallographic examination, hardness measurement and other analysis means were adopted to investigate the spall gear tooth. The results showed that Material composition, Metallographic structure, Micro-hardness, Carburization depth of the fault bevel gear accord with technical requirements. Contact fatigue spall defect caused bevel gear teeth surface damage. The small magnitude of Interference of accessory gearbox install hole and driving bevel gear bearing seat was mainly caused. Improved measures were proposed, after proof, Thermoelement measures are effective.

Opto-mechanical design of optical window for aero-optics effect simulation instruments

NASA Astrophysics Data System (ADS)

Wang, Guo-ming; Dong, Dengfeng; Zhou, Weihu; Ming, Xing; Zhang, Yan

2016-10-01

A complete theory is established for opto-mechanical systems design of the window in this paper, which can make the design more rigorous .There are three steps about the design. First, the universal model of aerodynamic environment is established based on the theory of Computational Fluid Dynamics, and the pneumatic pressure distribution and temperature data of optical window surface is obtained when aircraft flies in 5-30km altitude, 0.5-3Ma speed and 0-30°angle of attack. The temperature and pressure distribution values for the maximum constraint is selected as the initial value of external conditions on the optical window surface. Then, the optical window and mechanical structure are designed, which is also divided into two parts: First, mechanical structure which meet requirements of the security and tightness is designed. Finally, rigorous analysis and evaluation are given about the structure of optics and mechanics we have designed. There are two parts to be analyzed. First, the Fluid-Solid-Heat Coupled Model is given based on finite element analysis. And the deformation of the glass and structure can be obtained by the model, which can assess the feasibility of the designed optical windows and ancillary structure; Second, the new optical surface is fitted by Zernike polynomials according to the deformation of the surface of the optical window, which can evaluate imaging quality impact of spectral camera by the deformation of window.

Stress Analysis of Bolted, Segmented Cylindrical Shells Exhibiting Flange Mating-Surface Waviness

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Phillips, Dawn R.; Raju, Ivatury S.

2009-01-01

Bolted, segmented cylindrical shells are a common structural component in many engineering systems especially for aerospace launch vehicles. Segmented shells are often needed due to limitations of manufacturing capabilities or transportation issues related to very long, large-diameter cylindrical shells. These cylindrical shells typically have a flange or ring welded to opposite ends so that shell segments can be mated together and bolted to form a larger structural system. As the diameter of these shells increases, maintaining strict fabrication tolerances for the flanges to be flat and parallel on a welded structure is an extreme challenge. Local fit-up stresses develop in the structure due to flange mating-surface mismatch (flange waviness). These local stresses need to be considered when predicting a critical initial flaw size. Flange waviness is one contributor to the fit-up stress state. The present paper describes the modeling and analysis effort to simulate fit-up stresses due to flange waviness in a typical bolted, segmented cylindrical shell. Results from parametric studies are presented for various flange mating-surface waviness distributions and amplitudes.

Classification of mathematics deficiency using shape and scale analysis of 3D brain structures

NASA Astrophysics Data System (ADS)

Kurtek, Sebastian; Klassen, Eric; Gore, John C.; Ding, Zhaohua; Srivastava, Anuj

2011-03-01

We investigate the use of a recent technique for shape analysis of brain substructures in identifying learning disabilities in third-grade children. This Riemannian technique provides a quantification of differences in shapes of parameterized surfaces, using a distance that is invariant to rigid motions and re-parameterizations. Additionally, it provides an optimal registration across surfaces for improved matching and comparisons. We utilize an efficient gradient based method to obtain the optimal re-parameterizations of surfaces. In this study we consider 20 different substructures in the human brain and correlate the differences in their shapes with abnormalities manifested in deficiency of mathematical skills in 106 subjects. The selection of these structures is motivated in part by the past links between their shapes and cognitive skills, albeit in broader contexts. We have studied the use of both individual substructures and multiple structures jointly for disease classification. Using a leave-one-out nearest neighbor classifier, we obtained a 62.3% classification rate based on the shape of the left hippocampus. The use of multiple structures resulted in an improved classification rate of 71.4%.

Combining Thermal And Structural Analyses

NASA Technical Reports Server (NTRS)

Winegar, Steven R.

1990-01-01

Computer code makes programs compatible so stresses and deformations calculated. Paper describes computer code combining thermal analysis with structural analysis. Called SNIP (for SINDA-NASTRAN Interfacing Program), code provides interface between finite-difference thermal model of system and finite-element structural model when no node-to-element correlation between models. Eliminates much manual work in converting temperature results of SINDA (Systems Improved Numerical Differencing Analyzer) program into thermal loads for NASTRAN (NASA Structural Analysis) program. Used to analyze concentrating reflectors for solar generation of electric power. Large thermal and structural models needed to predict distortion of surface shapes, and SNIP saves considerable time and effort in combining models.

Bubble structure evaluation method of sponge cake by using image morphology

NASA Astrophysics Data System (ADS)

Kato, Kunihito; Yamamoto, Kazuhiko; Nonaka, Masahiko; Katsuta, Yukiyo; Kasamatsu, Chinatsu

2007-01-01

Nowadays, many evaluation methods for food industry by using image processing are proposed. These methods are becoming new evaluation method besides the sensory test and the solid-state measurement that have been used for the quality evaluation recently. The goal of our research is structure evaluation of sponge cake by using the image processing. In this paper, we propose a feature extraction method of the bobble structure in the sponge cake. Analysis of the bubble structure is one of the important properties to understand characteristics of the cake from the image. In order to take the cake image, first we cut cakes and measured that's surface by using the CIS scanner, because the depth of field of this type scanner is very shallow. Therefore the bubble region of the surface has low gray scale value, and it has a feature that is blur. We extracted bubble regions from the surface images based on these features. The input image is binarized, and the feature of bubble is extracted by the morphology analysis. In order to evaluate the result of feature extraction, we compared correlation with "Size of the bubble" of the sensory test result. From a result, the bubble extraction by using morphology analysis gives good correlation. It is shown that our method is as well as the subjectivity evaluation.

Analysis of the Surface of Deposited Copper After Electroerosion Treatment

NASA Astrophysics Data System (ADS)

Ablyaz, T. R.; Simonov, M. Yu.; Shlykov, E. S.

2018-03-01

An electron microscope analysis of the surface of deposited copper is performed after a profiling-piercing electroerosion treatment. The deposited copper is treated with steel, duralumin, and copper electrode tools at different pulse energies. The treatment with the duralumin electrode produces on the treated surface a web-like structure and cubic-morphology polyhedral dimples about 10 μm in size. The main components of the surface treated with the steel electrode are developed polyhedral dimples with a size of 10 - 50 μm. After the treatment with the copper electrode the main components of the treated surface are large polyhedral dimples about 30 - 80 μm in size.

The use of analytical surface tools in the fundamental study of wear. [atomic nature of wear

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1977-01-01

Various techniques and surface tools available for the study of the atomic nature of the wear of materials are reviewed These include chemical etching, x-ray diffraction, electron diffraction, scanning electron microscopy, low-energy electron diffraction, Auger emission spectroscopy analysis, electron spectroscopy for chemical analysis, field ion microscopy, and the atom probe. Properties of the surface and wear surface regions which affect wear, such as surface energy, crystal structure, crystallographic orientation, mode of dislocation behavior, and cohesive binding, are discussed. A number of mechanisms involved in the generation of wear particles are identified with the aid of the aforementioned tools.

Fractography of modern engineering materials: composites and metals

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

Masters, J.E.; Au, J.J.

1987-01-01

The fractographic analysis of fracture surfaces in composites and metals is discussed in reviews and reports of recent theoretical and experimental investigations. Topics addressed include fracture-surface micromorphology in engineering solids, SEM fractography of pure and mixed-mode interlaminar fractures in graphite/epoxy composites, determination of crack propagation directions in graphite/epoxy structures, and the fracture surfaces of irradiated composites. Consideration is given to fractographic feature identification and characterization by digital imaging analysis, fractography of pressure-vessel steel weldments, the micromechanisms of major/minor cycle fatigue crack growth in Inconel 718, and fractographic analysis of hydrogen-assisted cracking in alpha-beta Ti alloys.

Dynamic Eigenvalue Problem of Concrete Slab Road Surface

NASA Astrophysics Data System (ADS)

Pawlak, Urszula; Szczecina, Michał

2017-10-01

The paper presents an analysis of the dynamic eigenvalue problem of concrete slab road surface. A sample concrete slab was modelled using Autodesk Robot Structural Analysis software and calculated with Finite Element Method. The slab was set on a one-parameter elastic subsoil, for which the modulus of elasticity was separately calculated. The eigen frequencies and eigenvectors (as maximal vertical nodal displacements) were presented. On the basis of the results of calculations, some basic recommendations for designers of concrete road surfaces were offered.

An Analysis of the Magneto-Optic Imaging System

NASA Technical Reports Server (NTRS)

Nath, Shridhar

1996-01-01

The Magneto-Optic Imaging system is being used for the detection of defects in airframes and other aircraft structures. The system has been successfully applied to detecting surface cracks, but has difficulty in the detection of sub-surface defects such as corrosion. The intent of the grant was to understand the physics of the MOI better, in order to use it effectively for detecting corrosion and for classifying surface defects. Finite element analysis, image classification, and image processing are addressed.

The use of radar and visual observations to characterize the surface structure of the planet Mercury

NASA Technical Reports Server (NTRS)

Clark, P. E.; Kobrick, M.; Jurgens, R. F.

1985-01-01

An analysis is conducted of available topographic profiles and scattering parameters derived from earth-based S- and X-band radar observations of Mercury, in order to determine the nature and origin of regional surface variations and structures that are typical of the planet. Attention is given to the proposal that intercrater plains on Mercury formed from extensive volcanic flooding during bombardment, so that most craters were formed on a partially molten surface and were thus obliterated, together with previously formed tectonic features.

Use of Linear Prediction Uncertainty Analysis to Guide Conditioning of Models Simulating Surface-Water/Groundwater Interactions

NASA Astrophysics Data System (ADS)

Hughes, J. D.; White, J.; Doherty, J.

2011-12-01

Linear prediction uncertainty analysis in a Bayesian framework was applied to guide the conditioning of an integrated surface water/groundwater model that will be used to predict the effects of groundwater withdrawals on surface-water and groundwater flows. Linear prediction uncertainty analysis is an effective approach for identifying (1) raw and processed data most effective for model conditioning prior to inversion, (2) specific observations and periods of time critically sensitive to specific predictions, and (3) additional observation data that would reduce model uncertainty relative to specific predictions. We present results for a two-dimensional groundwater model of a 2,186 km2 area of the Biscayne aquifer in south Florida implicitly coupled to a surface-water routing model of the actively managed canal system. The model domain includes 5 municipal well fields withdrawing more than 1 Mm3/day and 17 operable surface-water control structures that control freshwater releases from the Everglades and freshwater discharges to Biscayne Bay. More than 10 years of daily observation data from 35 groundwater wells and 24 surface water gages are available to condition model parameters. A dense parameterization was used to fully characterize the contribution of the inversion null space to predictive uncertainty and included bias-correction parameters. This approach allows better resolution of the boundary between the inversion null space and solution space. Bias-correction parameters (e.g., rainfall, potential evapotranspiration, and structure flow multipliers) absorb information that is present in structural noise that may otherwise contaminate the estimation of more physically-based model parameters. This allows greater precision in predictions that are entirely solution-space dependent, and reduces the propensity for bias in predictions that are not. Results show that application of this analysis is an effective means of identifying those surface-water and groundwater data, both raw and processed, that minimize predictive uncertainty, while simultaneously identifying the maximum solution-space dimensionality of the inverse problem supported by the data.

Synthesis and surface activity properties of alkylphenol polyoxyethylene nonionic trimeric surfactants

NASA Astrophysics Data System (ADS)

Yang, Fang; Li, Gang; Qi, Jian; Zhang, Song-Mei; Liu, Rong

2010-10-01

A series of trimeric n-alkylphenol polyoxyethylene surfactants (TAP) were successfully synthesized and the molecular structure were confirmed by NMR, FTIR spectrum and elemental analysis. Using the same synthesis route, the trimeric nonylphenol polyoxyethylene surfactant (TNP) was synthesized using industrial product nonylphenol and paraformaldehyde, and its molecular structure was characterized by 1HNMR, FTIR spectrum and elemental analysis. The optimal reaction conditions were established. The surface activity properties of TAP and TNP (such as the critical micelle concentration (cmc), the values of surface tension at the cmc ( γcmc), the maximum surface excess concentration ( Γcmc), and the minimum surface area per surfactant molecule ( Acmc)), were determined by means of Wilhelmy plate method and steady-state fluorescence probe method, respectively. The experimental results show that the lengths of the hydrophilic group oxyethylene (EO) chains and hydrophobic group methylene chains have an influence on the cmc, γcmc, Γcmc, and Acmc of series of surfactants. Furthermore, TAP are arranged to staggered three-dimensional array mode at the air-water interface, which has exhibited better surface properties, such as low cmc values, strong adsorption affinities and wet abilities.

Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation.

PubMed

Dutta, Achintya Kumar; Dar, Manzoor; Vaval, Nayana; Pal, Sourav

2014-02-27

We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOX chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier. Further, the analysis of the potential energy surface in FSMRCC method indicates a well-behaved minima, contrary to the shallow minima predicted by the single-reference coupled-cluster method. The harmonic force field analysis, of various possible isomers of peroxo nitrate also reveals that only the trans structure leads to the experimentally observed IR peak at 1840 cm(-1). The present study highlights the critical importance of nondynamic correlation in predicting the structure and properties of high-energy stratospheric NOx radicals.

X-Ray photoelectron diffraction and photoelectron holography as methods for investigating the local atomic structure of the surface of solids

NASA Astrophysics Data System (ADS)

Kuznetsov, M. V.; Ogorodnikov, I. I.; Vorokh, A. S.

2014-01-01

The state-of-the-art theory and experimental applications of X-ray photoelectron diffraction (XPD) and photoelectron holography (PH) are discussed. These methods are rapidly progressing and serve to examine the surface atomic structure of solids, including nanostructures formed on surfaces during adsorption of gases, epitaxial film growth, etc. The depth of analysis by these methods is several nanometres, which makes it possible to characterize the positions of atoms localized both on and beneath the surface. A remarkable feature of the XPD and PH methods is their sensitivity to the type of examined atoms and, in the case of high energy resolution, to the particular chemical form of the element under study. The data on experimental applications of XPD and PH to studies of various surface structures are analyzed and generalized. The bibliography includes 121 references.

Fabrication of micro/nano hierarchical structures with analysis on the surface mechanics

NASA Astrophysics Data System (ADS)

Jheng, Yu-Sheng; Lee, Yeeu-Chang

2016-10-01

Biomimicry refers to the imitation of mechanisms and features found in living creatures using artificial methods. This study used optical lithography, colloidal lithography, and dry etching to mimic the micro/nano hierarchical structures covering the soles of gecko feet. We measured the static contact angle and contact angle hysteresis to reveal the behavior of liquid drops on the hierarchical structures. Pulling tests were also performed to measure the resistance of movement between the hierarchical structures and a testing plate. Our results reveal that hierarchical structures at the micro-/nano-scale are considerably hydrophobic, they provide good flow characteristics, and they generate more contact force than do surfaces with micro-scale cylindrical structures.

Sensitivity analysis of tall buildings in Semarang, Indonesia due to fault earthquakes with maximum 7 Mw

NASA Astrophysics Data System (ADS)

Partono, Windu; Pardoyo, Bambang; Atmanto, Indrastono Dwi; Azizah, Lisa; Chintami, Rouli Dian

2017-11-01

Fault is one of the dangerous earthquake sources that can cause building failure. A lot of buildings were collapsed caused by Yogyakarta (2006) and Pidie (2016) fault source earthquakes with maximum magnitude 6.4 Mw. Following the research conducted by Team for Revision of Seismic Hazard Maps of Indonesia 2010 and 2016, Lasem, Demak and Semarang faults are three closest earthquake sources surrounding Semarang. The ground motion from those three earthquake sources should be taken into account for structural design and evaluation. Most of tall buildings, with minimum 40 meter high, in Semarang were designed and constructed following the 2002 and 2012 Indonesian Seismic Code. This paper presents the result of sensitivity analysis research with emphasis on the prediction of deformation and inter-story drift of existing tall building within the city against fault earthquakes. The analysis was performed by conducting dynamic structural analysis of 8 (eight) tall buildings using modified acceleration time histories. The modified acceleration time histories were calculated for three fault earthquakes with magnitude from 6 Mw to 7 Mw. The modified acceleration time histories were implemented due to inadequate time histories data caused by those three fault earthquakes. Sensitivity analysis of building against earthquake can be predicted by evaluating surface response spectra calculated using seismic code and surface response spectra calculated from acceleration time histories from a specific earthquake event. If surface response spectra calculated using seismic code is greater than surface response spectra calculated from acceleration time histories the structure will stable enough to resist the earthquake force.

Molecular dynamics simulations of pyrrolidinium and imidazolium ionic liquids at graphene interfaces.

PubMed

Begić, Srđan; Jónsson, Erlendur; Chen, Fangfang; Forsyth, Maria

2017-11-15

Understanding the electrode-electrolyte interface is essential in the battery research as the ion transport and ion structures at the interface most likely affect the performance of a battery. Here we investigate interfacial structures of three ionic liquids: 1-ethyl-3-methylimidazolium dicyanamide ([C 2 mim][dca]), 1-butyl-3-methylimidazolium dicyanamide ([C 4 mim][dca]) and N-butyl-N-methylpyrrolidinium dicyanamide ([C 4 myr][dca]) at a charged and uncharged graphene interface using molecular dynamics simulations. We find that these ionic liquids (ILs) behave differently both in the bulk phase and near a graphene interface and we find that this difference is apparent in all types of analyses performed here. First, a partial density analysis in the direction perpendicular to the surface of the electrodes, which, in the cases near a negatively charged graphene, reveals that the pyrrolidinium system is generally more layered than the imidazolium systems. Second, a 2D topographic structure analysis of the IL species in the inner layer near a negatively charged graphene surface, which reveals that the pyrrolidinium system exhibits a quasi-hexagonal surface configuration of the cations, while the imidazolium systems show linearly arranged groups of cations. Third, a 3D orientation-preference analysis of cation rings near the negative graphene electrode, which shows that the pyrrolidinium rings prefer to lie parallel to the electrode surface while the imidazolium rings prefer to stand on the electrode surface at high tilt angles. Extending the imidazolium alkyl chain was found to reduce the number of imidazoliums that can link up into linearly arranged groups in the inner layer 2D structures. Our results support earlier experimental findings and indicate that the interfacial nanostructures may have a significant influence on the electrochemical performance of IL-based batteries.

Structural analysis of star-forming blue early-type galaxies. Merger-driven star formation in elliptical galaxies

NASA Astrophysics Data System (ADS)

George, Koshy

2017-02-01

Context. Star-forming blue early-type galaxies at low redshift can give insight to the stellar mass growth of L⋆ elliptical galaxies in the local Universe. Aims: We wish to understand the reason for star formation in these otherwise passively evolving red and dead stellar systems. The fuel for star formation can be acquired through recent accretion events such as mergers or flyby. The signatures of such events should be evident from a structural analysis of the galaxy image. Methods: We carried out structural analysis on SDSS r-band imaging data of 55 star-forming blue elliptical galaxies, derived the structural parameters, analysed the residuals from best-fit to surface brightness distribution, and constructed the galaxy scaling relations. Results: We found that star-forming blue early-type galaxies are bulge-dominated systems with axial ratio >0.5 and surface brightness profiles fitted by Sérsic profiles with index (n) mostly >2. Twenty-three galaxies are found to have n< 2; these could be hosting a disc component. The residual images of the 32 galaxy surface brightness profile fits show structural features indicative of recent interactions. The star-forming blue elliptical galaxies follow the Kormendy relation and show the characteristics of normal elliptical galaxies as far as structural analysis is concerned. There is a general trend for high-luminosity galaxies to display interaction signatures and high star formation rates. Conclusions: The star-forming population of blue early-type galaxies at low redshifts could be normal ellipticals that might have undergone a recent gas-rich minor merger event. The star formation in these galaxies will shut down once the recently acquired fuel is consumed, following which the galaxy will evolve to a normal early-type galaxy.

Total photoelectron yield spectroscopy of energy distribution of electronic states density at GaN surface and SiO2/GaN interface

NASA Astrophysics Data System (ADS)

Ohta, Akio; Truyen, Nguyen Xuan; Fujimura, Nobuyuki; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

2018-06-01

The energy distribution of the electronic state density of wet-cleaned epitaxial GaN surfaces and SiO2/GaN structures has been studied by total photoelectron yield spectroscopy (PYS). By X-ray photoelectron spectroscopy (XPS) analysis, the energy band diagram for a wet-cleaned epitaxial GaN surface such as the energy level of the valence band top and electron affinity has been determined to obtain a better understanding of the measured PYS signals. The electronic state density of GaN surface with different carrier concentrations in the energy region corresponding to the GaN bandgap has been evaluated. Also, the interface defect state density of SiO2/GaN structures was also estimated by not only PYS analysis but also capacitance–voltage (C–V) characteristics. We have demonstrated that PYS analysis enables the evaluation of defect state density filled with electrons at the SiO2/GaN interface in the energy region corresponding to the GaN midgap, which is difficult to estimate by C–V measurement of MOS capacitors.

Dependency of magnetic microwave absorption on surface architecture of Co20Ni80 hierarchical structures studied by electron holography

NASA Astrophysics Data System (ADS)

Liu, Qinhe; Xu, Xianhui; Xia, Weixing; Che, Renchao; Chen, Chen; Cao, Qi; He, Jingang

2015-01-01

To design and fabricate rational surface architecture of individual particles is one of the key factors that affect their magnetic properties and microwave absorption capability, which is still a great challenge. Herein, a series of Co20Ni80 hierarchical structures with different surface morphologies, including flower-, urchin-, ball-, and chain-like morphologies, were obtained using structure-directing templates via a facile one-step solvothermal treatment. The microwave reflection loss (RL) of urchin-like Co20Ni80 hierarchical structures reaches as high as -33.5 dB at 3 GHz, with almost twice the RL intensity of the ball- and chain-like structures, and the absorption bandwidth (<-10 dB) is about 5.5 GHz for the flower-like morphology, indicating that the surface nanospikes and nanoflakes on the Co20Ni80 microsphere surfaces have great influences on their magnetic microwave absorption properties. Electron holography analysis reveals that the surface nanospikes and nanoflakes could generate a high density of stray magnetic flux lines and contribute a large saturation magnetization (105.62 emu g-1 for urchin-like and 96.41 emu g-1 for flower-like morphology), leading the urchin-like and flower-like Co20Ni80 to possess stronger microwave RL compared with the ball-like and chain-like Co20Ni80 alloys. The eddy-current absorption mechanism μ''(μ')-2(f)-1 is dominant in the frequency region above 8 GHz, implying that eddy-current loss is a vital factor for microwave RL in the high frequency range. It can be supposed from our findings that different surface morphologies of magnetic hierarchical structures might become an effective path to achieve high-performance microwave absorption for electromagnetic shielding and stealth camouflage applications.To design and fabricate rational surface architecture of individual particles is one of the key factors that affect their magnetic properties and microwave absorption capability, which is still a great challenge. Herein, a series of Co20Ni80 hierarchical structures with different surface morphologies, including flower-, urchin-, ball-, and chain-like morphologies, were obtained using structure-directing templates via a facile one-step solvothermal treatment. The microwave reflection loss (RL) of urchin-like Co20Ni80 hierarchical structures reaches as high as -33.5 dB at 3 GHz, with almost twice the RL intensity of the ball- and chain-like structures, and the absorption bandwidth (<-10 dB) is about 5.5 GHz for the flower-like morphology, indicating that the surface nanospikes and nanoflakes on the Co20Ni80 microsphere surfaces have great influences on their magnetic microwave absorption properties. Electron holography analysis reveals that the surface nanospikes and nanoflakes could generate a high density of stray magnetic flux lines and contribute a large saturation magnetization (105.62 emu g-1 for urchin-like and 96.41 emu g-1 for flower-like morphology), leading the urchin-like and flower-like Co20Ni80 to possess stronger microwave RL compared with the ball-like and chain-like Co20Ni80 alloys. The eddy-current absorption mechanism μ''(μ')-2(f)-1 is dominant in the frequency region above 8 GHz, implying that eddy-current loss is a vital factor for microwave RL in the high frequency range. It can be supposed from our findings that different surface morphologies of magnetic hierarchical structures might become an effective path to achieve high-performance microwave absorption for electromagnetic shielding and stealth camouflage applications. Electronic supplementary information (ESI) available: EDS analysis data, SEM images, electron holography schematic diagram, electron holography and magnetic hysteresis loops. See DOI: 10.1039/c4nr05547k

Evolutionary-inspired probabilistic search for enhancing sampling of local minima in the protein energy surface

PubMed Central

2012-01-01

Background Despite computational challenges, elucidating conformations that a protein system assumes under physiologic conditions for the purpose of biological activity is a central problem in computational structural biology. While these conformations are associated with low energies in the energy surface that underlies the protein conformational space, few existing conformational search algorithms focus on explicitly sampling low-energy local minima in the protein energy surface. Methods This work proposes a novel probabilistic search framework, PLOW, that explicitly samples low-energy local minima in the protein energy surface. The framework combines algorithmic ingredients from evolutionary computation and computational structural biology to effectively explore the subspace of local minima. A greedy local search maps a conformation sampled in conformational space to a nearby local minimum. A perturbation move jumps out of a local minimum to obtain a new starting conformation for the greedy local search. The process repeats in an iterative fashion, resulting in a trajectory-based exploration of the subspace of local minima. Results and conclusions The analysis of PLOW's performance shows that, by navigating only the subspace of local minima, PLOW is able to sample conformations near a protein's native structure, either more effectively or as well as state-of-the-art methods that focus on reproducing the native structure for a protein system. Analysis of the actual subspace of local minima shows that PLOW samples this subspace more effectively that a naive sampling approach. Additional theoretical analysis reveals that the perturbation function employed by PLOW is key to its ability to sample a diverse set of low-energy conformations. This analysis also suggests directions for further research and novel applications for the proposed framework. PMID:22759582

The synthesis of Ba2+ doped multiferroic BiFeO3 nanoparticles by using a hydrothermal approach in the presence of different surface activators and the investigation of structural and magnetic features

NASA Astrophysics Data System (ADS)

Mardani, Reza

2017-05-01

In this work, Bi1-x Ba x FeO3 nanoparticles were synthesized by a hydrothermal method in the presence of various surface activators, and different amounts of barium were inserted in a bismuth ferrite (x  =  0.1, 0.15, 0.2) structure instead of bismuth. The structural and magnetic properties, morphology, and size of the synthesized nanoparticles were investigated by XRD, FT-IR, FE-SEM, TEM, DLS and VSM. The XRD analysis results reveal that the synthetic nanoparticles have a single phase. A phase shift from a rhombohedral structure to a tetragonal structure occurs due to the enhanced barium amount in the bismuth ferrite structure. The SEM analysis exhibits a uniform shape of the Bi0.85Ba0.15FeO3 particles and the image observed by TEM clarifies the size of the particles as 11 nm. Furthermore, the effect of the diverse surfaces of activators in the synthesis of Bi0.85Ba0.15FeO3 nanoparticles was studied, revealing that when sugar was used as a surfactant, the particle size reduced and the magnetic properties increased notably.

Application of semiempirical electronic structure theory to compute the force generated by a single surface-mounted switchable rotaxane.

PubMed

Sohlberg, Karl; Bazargan, Gloria; Angelo, Joseph P; Lee, Choongkeun

2017-01-01

Herein we report a study of the switchable [3]rotaxane reported by Huang et al. (Appl Phys Lett 85(22):5391-5393, 1) that can be mounted to a surface to form a nanomechanical, linear, molecular motor. We demonstrate the application of semiempirical electronic structure theory to predict the average and instantaneous force generated by redox-induced ring shuttling. Detailed analysis of the geometric and electronic structure of the system reveals technical considerations essential to success of the approach. The force is found to be in the 100-200 pN range, consistent with published experimental estimates. Graphical Abstract A single surface-mounted switchable rotaxane.

Enhanced lithium storage performance of hierarchical CuO nanomaterials with surface fractal characteristics

NASA Astrophysics Data System (ADS)

Li, Ang; He, Renyue; Bian, Zhuo; Song, Huaihe; Chen, Xiaohong; Zhou, Jisheng

2018-06-01

Self-assembled hierarchical CuO nanostructures with fractal structures were prepared by a mild method and exhibited excellent lithium storage properties, certain of which even demonstrated a high reversible capacity of 827 mAh g-1 at a rate of 0.1 C. An interesting phenomenon was observed that the electrochemical performance varies along with the structure complexity, and the products with higher surface factal dimensions exhibited larger capability and better cyclability. Structural and electrochemical analysis methods were used to explore the lithiation kinetics of the samples and the reasons for the outstanding electrochemical performances related to the complexities of hierarchical nanostructures and the irregularities of surface and mass distribution.

Backscattering from a Gaussian distributed, perfectly conducting, rough surface

NASA Technical Reports Server (NTRS)

Brown, G. S.

1977-01-01

The problem of scattering by random surfaces possessing many scales of roughness is analyzed. The approach is applicable to bistatic scattering from dielectric surfaces, however, this specific analysis is restricted to backscattering from a perfectly conducting surface in order to more clearly illustrate the method. The surface is assumed to be Gaussian distributed so that the surface height can be split into large and small scale components, relative to the electromagnetic wavelength. A first order perturbation approach is employed wherein the scattering solution for the large scale structure is perturbed by the small scale diffraction effects. The scattering from the large scale structure is treated via geometrical optics techniques. The effect of the large scale surface structure is shown to be equivalent to a convolution in k-space of the height spectrum with the following: the shadowing function, a polarization and surface slope dependent function, and a Gaussian factor resulting from the unperturbed geometrical optics solution. This solution provides a continuous transition between the near normal incidence geometrical optics and wide angle Bragg scattering results.

Elaboration, structural, spectroscopy, DSC investigations and Hirshfeld surface analysis of a one-dimensional self-assembled organic-inorganic hybrid compound

NASA Astrophysics Data System (ADS)

Mesbeh, Radhia; Hamdi, Besma; Zouari, Ridha

2017-01-01

The new organic-inorganic hybrid of the formula [H2mela]Cu2Cl6, where mela = 1,3,5-triazine-2,4,6-triamine, has been synthesized by the reaction of 1,3,5-triazine-2,4,6-triamine and copper(II) chloride dihydrate in the presence of hydrochloric acid. This compound has been determined by X-ray diffraction analysis and characterized by FT-IR, Raman, NMR characterization, differential scanning calorimetric (DSC) analysis, dielectric measurements and Hirshfeld surface. 1,3,5-triazinidium-2,4,6-triamine hexachlorodicuprate(II) crystallizes in the monoclinic system with space group P21/c. The final refinement of the structure of the program led to the reliability factors unweighted R1 = 3.53% and weighted WR2 = 8.87%. The observed internal C3sbnd N31sbnd C1 and C3sbnd N23sbnd C2 angle (121.5 and 121.4°) at protanated N-atom are significantly greater the other ring angle C1sbnd N12sbnd C2 (117.1°). The titled compound crystallizes as an organic-inorganic one-dimensional (1D) structure. The crystal structure was stabilized by two types of hydrogen bonding Nsbnd H⋯Cl and Nsbnd H⋯N. The infrared spectra was recorded in the 4000-400 cm-1 frequency region and the Raman spectra was recorded in the external region of the anionic sublattice vibration 4000-50 cm-1 at room temperature. Solid-state 13C and 63Cu MAS-NMR spectroscopies are in agreement with the X-ray structure. The differential scanning calorimetric (DSC) show the presence of a structural phase transition of the title compound at 338 K. Hirshfeld surface analyses for visually analyzing intermolecular interactions in crystal structures employing molecular surface contours and 2D fingerprint plots have been used to examine molecular shapes.

Thermal behavior and catalytic activity in naphthalene destruction of Ce-, Zr- and Mn-containing oxide layers on titanium

NASA Astrophysics Data System (ADS)

Vasilyeva, Marina S.; Rudnev, Vladimir S.; Wiedenmann, Florian; Wybornov, Svetlana; Yarovaya, Tatyana P.; Jiang, Xin

2011-11-01

The present paper is devoted to studies of the composition and surface structure, including those after annealing at high temperatures, and catalytic activity in the reaction of naphthalene destruction of Ce-, Zr- and Mn-containing oxide layers on titanium obtained by means of the plasma electrolytic oxidation (PEO) method. The composition and structure of the obtained systems were investigated using the methods of X-ray phase and energy dispersive analysis and scanning electron microscopy (SEM). It was demonstrated that Ce- and Zr- containing structures had relatively high thermal stability: their element and phase compositions and surface structure underwent virtually no changes after annealing in the temperature range 600-800 °C. Annealing of Ce- and Zr-containing coatings in the temperature range 850-900 °C resulted in substantial changes of their surface composition and structure: a relatively homogeneous and porous surface becomes coated by large pole-like crystals. The catalytic studies showed rather high activity of Ce- and Zr-containing coatings in the reaction of naphthalene destruction at temperatures up to 850 °C. Mn-containing structures of the type MnOx + SiO2 + TiO2/Ti have a well-developed surface coated by “nano-whiskers”. The phase composition and surface structure of manganese-containing layers changes dramatically in the course of thermal treatment. After annealing above 600 °C nano-whiskers vanish with formation of molten structures on the surface. The Mn-containing oxide systems demonstrated lower conversion degrees than the Ce- and Zr-containing coatings, which can be attributed to substantial surface modification and formation of molten manganese silicates at high temperatures.

Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces

DOE PAGES

Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; ...

2016-07-26

Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions and superconducting ground states. In contrast, few of these phenomena have so far been observed in low-dimensional molecular structures, including thin films, nanoparticles and molecular blends, not in the least because most of such structures have so far been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional molecular structures of ionic molecules toward fundamental studies and potential applications. Here we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctivemore » property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of 1:1 ratio in the bulk. We propose the existence of the surface phase-diagram that controls the structures of TTF-TCNQ on the surfaces, and demonstrate phase-transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram and the corresponding phase-transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases.« less

Analysis of the influence of the milling machine throw-out plate surfacing and structure design on throwing material

NASA Astrophysics Data System (ADS)

Fang, Yuanbin; Sha, Hongwei; Yu, Yunmin; Chen, Bing

2018-03-01

Material composition, hardness and wear properties of the throw-out plate improved are analysed on a road milling machine. At the same time, analyse the tissue and performance of Fe based alloy named Fe60 cladding layer using the plasma surfacing method. And the original and improved throw-out plates are analysed throwing material effect by the dynamic analysis. Then the throw-out plate samples are verified. The results show that Fe60 powder is selected as surface strengthening material. By the improved structure, the hardness of the throw-out plate increases from 14.6HRC to 57.5HRC, and the wear resistance increases from 0.452g-1 to 16.393g-1. At the same time, it increases from 3263 to 3433 to fall into the collecting material number of milling machine. It provides important guidance for structure design and process design of the milling machine throw-out plate.

Relational, Structural, and Semantic Analysis of Graphical Representations and Concept Maps

ERIC Educational Resources Information Center

Ifenthaler, Dirk

2010-01-01

The demand for good instructional environments presupposes valid and reliable analytical instruments for educational research. This paper introduces the "SMD Technology" (Surface, Matching, Deep Structure), which measures relational, structural, and semantic levels of graphical representations and concept maps. The reliability and validity of the…

Using semi-variogram analysis for providing spatially distributed information on soil surface condition for land surface modeling

NASA Astrophysics Data System (ADS)

Croft, Holly; Anderson, Karen; Kuhn, Nikolaus J.

2010-05-01

The ability to quantitatively and spatially assess soil surface roughness is important in geomorphology and land degradation studies. Soils can experience rapid structural degradation in response to land cover changes, resulting in increased susceptibility to erosion and a loss of Soil Organic Matter (SOM). Changes in soil surface condition can also alter sediment detachment, transport and deposition processes, infiltration rates and surface runoff characteristics. Deriving spatially distributed quantitative information on soil surface condition for inclusion in hydrological and soil erosion models is therefore paramount. However, due to the time and resources involved in using traditional field sampling techniques, there is a lack of spatially distributed information on soil surface condition. Laser techniques can provide data for a rapid three dimensional representation of the soil surface at a fine spatial resolution. This provides the ability to capture changes at the soil surface associated with aggregate breakdown, flow routing, erosion and sediment re-distribution. Semi-variogram analysis of the laser data can be used to represent spatial dependence within the dataset; providing information about the spatial character of soil surface structure. This experiment details the ability of semi-variogram analysis to spatially describe changes in soil surface condition. Soil for three soil types (silt, silt loam and silty clay) was sieved to produce aggregates between 1 mm and 16 mm in size and placed evenly in sample trays (25 x 20 x 2 cm). Soil samples for each soil type were exposed to five different durations of artificial rainfall, to produce progressively structurally degraded soil states. A calibrated laser profiling instrument was used to measure surface roughness over a central 10 x 10 cm plot of each soil state, at 2 mm sample spacing. The laser data were analysed within a geostatistical framework, where semi-variogram analysis quantitatively represented the change in soil surface structure during crusting. The laser data were also used to create digital surface models (DSM) of the soil states for visual comparison. This research has shown that aggregate breakdown and soil crusting can be shown quantitatively by a decrease in sill variance (silt soil: 11.67 (control) to 1.08 (after 90 mins rainfall)). Features present within semi-variograms were spatially linked to features at the soil surface, such as soil cracks, tillage lines and areas of deposition. Directional semi-variograms were used to provide a spatially orientated component, where the directional sill variance associated with a soil crack was shown to increase from 7.95 to 19.33. Periodicity within semi-variogram was also shown to quantify the spatial scale of soil cracking networks and potentially surface flowpaths; an average distance between soil cracks of 37 mm closely corresponded to the distance of 38 mm shown in the semi-variogram. The results provide a strong basis for the future retrieval of spatio-temporal variations in soil surface condition. Furthermore, the presence of process-based information on hydrological pathways within semi-variograms may work towards an inclusion of geostatisically-derived information in land surface models and the understanding of complex surface processes at different spatial scales.

CO adsorption on small Au{sub n} (n = 1–4) structures supported on hematite. I. Adsorption on iron terminated α-Fe{sub 2}O{sub 3} (0001) surface

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

Pabisiak, Tomasz; Kiejna, Adam, E-mail: kiejna@ifd.uni.wroc.pl; Winiarski, Maciej J.

2016-01-28

This is the first of two papers dealing with the adsorption of Au and formation of Au{sub n} nanostructures (n = 1–4) on hematite (0001) surface and adsorption of CO thereon. The stoichiometric Fe-terminated (0001) surface of hematite was investigated using density functional theory in the generalized gradient approximation of Perdew-Burke-Ernzerhof (PBE) form with Hubbard correction U, accounting for strong electron correlations (PBE+U). The structural, energetic, and electronic properties of the systems studied were examined for vertical and flattened configurations of Au{sub n} nanostructures adsorbed on the hematite surfaces. The flattened ones, which can be viewed as bilayer-like structures, weremore » found energetically more favored than vertical ones. For both classes of structures the adsorption binding energy increases with the number of Au atoms in a structure. The adsorption of Au{sub n} induces charge rearrangement at the Au{sub n}/oxide contact which is reflected in work function changes. In most considered cases Au{sub n} adsorption increases the work function. A detailed analysis of the bonding electron charge is presented and the corresponding electron charge rearrangements at the contacts were quantified by a Bader charge analyses. The interaction of a CO molecule with the Au{sub n} nanostructures supported on α-Fe{sub 2}O{sub 3} (0001) and the oxide support was studied. It is found that the CO adsorption binding to the hematite supported Au{sub n} structures is more than twice as strong as to the bare hematite surface. Analysis of the Bader charges on the atoms showed that in each case CO binds to the most positively charged (cationic) atom of the Au{sub n} structure. Changes in the electronic structure of the Au{sub n} species and of the oxide support, and their consequences for the interactions with CO, are discussed.« less

Voroprot: an interactive tool for the analysis and visualization of complex geometric features of protein structure.

PubMed

Olechnovic, Kliment; Margelevicius, Mindaugas; Venclovas, Ceslovas

2011-03-01

We present Voroprot, an interactive cross-platform software tool that provides a unique set of capabilities for exploring geometric features of protein structure. Voroprot allows the construction and visualization of the Apollonius diagram (also known as the additively weighted Voronoi diagram), the Apollonius graph, protein alpha shapes, interatomic contact surfaces, solvent accessible surfaces, pockets and cavities inside protein structure. Voroprot is available for Windows, Linux and Mac OS X operating systems and can be downloaded from http://www.ibt.lt/bioinformatics/voroprot/.

Influence of the ionic liquid/gas surface on ionic liquid chemistry.

PubMed

Lovelock, Kevin R J

2012-04-21

Applications such as gas storage, gas separation, NP synthesis and supported ionic liquid phase catalysis depend upon the interaction of different species with the ionic liquid/gas surface. Consequently, these applications cannot proceed to the full extent of their potential without a profound understanding of the surface structure and properties. As a whole, this perspective contains more questions than answers, which demonstrates the current state of the field. Throughout this perspective, crucial questions are posed and a roadmap is proposed to answer these questions. A critical analysis is made of the field of ionic liquid/gas surface structure and properties, and a number of design rules are mined. The effects of ionic additives on the ionic liquid/gas surface structure are presented. A possible driving force for surface formation is discussed that has, to the best of my knowledge, not been postulated in the literature to date. This driving force suggests that for systems composed solely of ions, the rules for surface formation of dilute electrolytes do not apply. The interaction of neutral additives with the ionic liquid/gas surface is discussed. Particular attention is focussed upon H(2)O and CO(2), vital additives for many applications of ionic liquids. Correlations between ionic liquid/gas surface structure and properties, ionic liquid surfaces plus additives, and ionic liquid applications are given. This journal is © the Owner Societies 2012

Analysis of atomic force microscopy data for surface characterization using fuzzy logic

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

Al-Mousa, Amjed, E-mail: aalmousa@vt.edu; Niemann, Darrell L.; Niemann, Devin J.

2011-07-15

In this paper we present a methodology to characterize surface nanostructures of thin films. The methodology identifies and isolates nanostructures using Atomic Force Microscopy (AFM) data and extracts quantitative information, such as their size and shape. The fuzzy logic based methodology relies on a Fuzzy Inference Engine (FIE) to classify the data points as being top, bottom, uphill, or downhill. The resulting data sets are then further processed to extract quantitative information about the nanostructures. In the present work we introduce a mechanism which can consistently distinguish crowded surfaces from those with sparsely distributed structures and present an omni-directional searchmore » technique to improve the structural recognition accuracy. In order to demonstrate the effectiveness of our approach we present a case study which uses our approach to quantitatively identify particle sizes of two specimens each with a unique gold nanoparticle size distribution. - Research Highlights: {yields} A Fuzzy logic analysis technique capable of characterizing AFM images of thin films. {yields} The technique is applicable to different surfaces regardless of their densities. {yields} Fuzzy logic technique does not require manual adjustment of the algorithm parameters. {yields} The technique can quantitatively capture differences between surfaces. {yields} This technique yields more realistic structure boundaries compared to other methods.« less

[Observation of topography and analysis of surface contamination of titanium implant after roughness treatment].

PubMed

Cao, Hongdan; Yang, Xiaodong; Wu, Dayi; Zhang, Xingdong

2007-04-01

The roughness treatment of dental implant surface could improve the bone bonding and increase the success rate of implant, but the difference of diverse treatments is still unknown. In this study using scanning electron microscopy (SEM), energy disperse spectrometer (EDS) and the test of contact angle, we studied the microstructure, surface contamination and surface energy, and hence conducted a comparative analysis of the following surface roughness treatments: Polished Treatment (PT), Sandblasting with Alumina(SA), Sandblasting with Aluminia and Acid-etched (SAA), Sandblasting with Titanium Acid-etched (STA), Electro-erosion Treatment(ET). The result of SEM showed that the surface displayed irregularities after roughness treatments and that the surface properties of different roughness treatments had some distinctions. SAA and SA had some sharp edges and protrutions; the STA showed a regular pattern like honeycomb, but the ET sample treated by electric erosion exhibited the deeper pores of different sizes and the pores with a perforated secondary structure. The EDS indicated that the surface was contaminated after the treatment with foreign materials; the SA surface had some embedded contaminations even after acid etching. The measurement of water contact angle indicated that the morphology correlated with the surface treatments. These findings suggest that the distinction of surface structure and composition caused by different treatments may result in the disparity in biological behavior of dental implant.

On 3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Chen, P. C.; Dame, L. T.; Holt, R. V.; Huang, H.; Hartle, M.; Gellin, S.; Allen, D. H.; Haisler, W. E.

1986-01-01

Accomplishments are described for the 2-year program, to develop advanced 3-D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades and vanes. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulations models were developed; an eight-noded mid-surface shell element, a nine-noded mid-surface shell element and a twenty-noded isoparametric solid element. A separate computer program was developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

Limitations of using Raman microscopy for the analysis of high-content-carbon-filled ethylene propylene diene monomer rubber.

PubMed

Ghanbari-Siahkali, Afshin; Almdal, Kristoffer; Kingshott, Peter

2003-12-01

The effects of laser irradiation on changes to the surface chemistry and structure of a commercially available ethylene propylene diene monomer (EPDM) rubber sample after Raman microscopy analysis was investigated. The Raman measurements were carried out with different levels of laser power on the sample, ranging from 4.55 mW to 0.09 mW. The surface of the EPDM was analyzed before and after laser exposure using X-ray photoelectron spectroscopy (XPS) and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy. The techniques have surface probe depths of approximately < or = 10 nm and 1 microm, respectively. Both sets of analysis show that ingredients of the blended EPDM rubber "bloom" to the surface as a result of local heating that takes place due to the absorption of laser by carbon black during the Raman analysis. Scanning electron microscopy (SEM) analysis was also performed on the Raman analyzed areas to visually illustrate the effects created due to laser light exposure (i.e., burning marks). The change in surface chemistry also occurs in regions a few millimeters from the exposed sites, indicating that the effect is quite long range. However, this phenomenon has no major influence, as far as XPS or ATR-FTIR results disclose, on the backbone structure of the rubber sample. The results indicate that precautions should be taken when analyzing complex blended polymer samples using Raman spectroscopy.

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

Petkov, Valeri; Hessel, Colin M.; Ovtchinnikoff, Justine

High-energy synchrotron X-ray diffraction coupled to atomic pair distribution function analysis and computer simulations is used to determine the atomic-scale structure of silicon (Si) nanoparticles obtained by two different synthetic routes. Results show that Si nanoparticles may have significant structural differences depending on the synthesis route and surface chemistry. In this case, one method produced Si nanoparticles that are highly crystalline but surface oxidized, whereas a different method yields organic ligand-passivated nanoparticles without surface oxide but that are structurally distorted at the atomic scale. Particular structural features of the oxide-free Si nanoparticles such as average first coordination numbers, length ofmore » structural coherence, and degree of local distortions are compared to their optical properties such as photoluminescence emission energy, quantum yield, and Raman spectra. A clear structure–properties correlation is observed indicating that the former may need to be taken into account when considering the latter.« less

Auto Correlation Analysis of Coda Waves from Local Earthquakes for Detecting Temporal Changes in Shallow Subsurface Structures: the 2011 Tohoku-Oki, Japan Earthquake

NASA Astrophysics Data System (ADS)

Nakahara, Hisashi

2015-02-01

For monitoring temporal changes in subsurface structures I propose to use auto correlation functions of coda waves from local earthquakes recorded at surface receivers, which probably contain more body waves than surface waves. Use of coda waves requires earthquakes resulting in decreased time resolution for monitoring. Nonetheless, it may be possible to monitor subsurface structures in sufficient time resolutions in regions with high seismicity. In studying the 2011 Tohoku-Oki, Japan earthquake (Mw 9.0), for which velocity changes have been previously reported, I try to validate the method. KiK-net stations in northern Honshu are used in this analysis. For each moderate earthquake normalized auto correlation functions of surface records are stacked with respect to time windows in the S-wave coda. Aligning the stacked, normalized auto correlation functions with time, I search for changes in phases arrival times. The phases at lag times of <1 s are studied because changes at shallow depths are focused. Temporal variations in the arrival times are measured at the stations based on the stretching method. Clear phase delays are found to be associated with the mainshock and to gradually recover with time. The amounts of the phase delays are 10 % on average with the maximum of about 50 % at some stations. The deconvolution analysis using surface and subsurface records at the same stations is conducted for validation. The results show the phase delays from the deconvolution analysis are slightly smaller than those from the auto correlation analysis, which implies that the phases on the auto correlations are caused by larger velocity changes at shallower depths. The auto correlation analysis seems to have an accuracy of about several percent, which is much larger than methods using earthquake doublets and borehole array data. So this analysis might be applicable in detecting larger changes. In spite of these disadvantages, this analysis is still attractive because it can be applied to many records on the surface in regions where no boreholes are available.

Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

PubMed

Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

2018-03-07

Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

Hypogeal geological survey in the "Grotta del Re Tiberio" natural cave (Apennines, Italy): a valid tool for reconstructing the structural setting

NASA Astrophysics Data System (ADS)

Ghiselli, Alice; Merazzi, Marzio; Strini, Andrea; Margutti, Roberto; Mercuriali, Michele

2011-06-01

As karst systems are natural windows to the underground, speleology, combined with geological surveys, can be useful tools for helping understand the geological evolution of karst areas. In order to enhance the reconstruction of the structural setting in a gypsum karst area (Vena del Gesso, Romagna Apennines), a detailed analysis has been carried out on hypogeal data. Structural features (faults, fractures, tectonic foliations, bedding) have been mapped in the "Grotta del Re Tiberio" cave, in the nearby gypsum quarry tunnels and open pit benches. Five fracture systems and six fault systems have been identified. The fault systems have been further analyzed through stereographic projections and geometric-kinematic evaluations in order to reconstruct the relative chronology of these structures. This analysis led to the detection of two deformation phases. The results permitted linking of the hypogeal data with the surface data both at a local and regional scale. At the local scale, fracture data collected in the underground have been compared with previous authors' surface data coming from the quarry area. The two data sets show a very good correspondence, as every underground fracture system matches with one of the surface fracture system. Moreover, in the cave, a larger number of fractures belonging to each system could be mapped. At the regional scale, the two deformation phases detected can be integrated in the structural setting of the study area, thereby enhancing the tectonic interpretation of the area ( e.g., structures belonging to a new deformation phase, not reported before, have been identified underground). The structural detailed hypogeal survey has, thus, provided very useful data, both by integrating the existing information and revealing new data not detected at the surface. In particular, some small structures ( e.g., displacement markers and short fractures) are better preserved in the hypogeal environment than on the surface where the outcropping gypsum is more exposed to dissolution and recrystallization. The hypogeal geological survey, therefore, can be considered a powerful tool for integrating the surface and log data in order to enhance the reconstruction of the deformational history and to get a three-dimensional model of the bedrock in karst areas.

Computational Modeling of Bloch Surface Waves in One-Dimensional Periodic and Aperiodic Multilayer Structures

NASA Astrophysics Data System (ADS)

Koju, Vijay

Photonic crystals and their use in exciting Bloch surface waves have received immense attention over the past few decades. This interest is mainly due to their applications in bio-sensing, wave-guiding, and other optical phenomena such as surface field enhanced Raman spectroscopy. Improvement in numerical modeling techniques, state of the art computing resources, and advances in fabrication techniques have also assisted in growing interest in this field. The ability to model photonic crystals computationally has benefited both the theoretical as well as experimental communities. It helps the theoretical physicists in solving complex problems which cannot be solved analytically and helps to acquire useful insights that cannot be obtained otherwise. Experimentalists, on the other hand, can test different variants of their devices by changing device parameters to optimize performance before fabrication. In this dissertation, we develop two commonly used numerical techniques, namely transfer matrix method, and rigorous coupled wave analysis, in C++ and MATLAB, and use two additional software packages, one open-source and another commercial, to model one-dimensional photonic crystals. Different variants of one-dimensional multilayered structures such as perfectly periodic dielectric multilayers, quasicrystals, aperiodic multilayer are modeled, along with one-dimensional photonic crystals with gratings on the top layer. Applications of Bloch surface waves, along with new and novel aperiodic dielectric multilayer structures that support Bloch surface waves are explored in this dissertation. We demonstrate a slow light configuration that makes use of Bloch Surface Waves as an intermediate excitation in a double-prism tunneling configuration. This method is simple compared to the more usual techniques for slowing light using the phenomenon of electromagnetically induced transparency in atomic gases or doped ionic crystals operated at temperatures below 4K. Using a semi-numerical approach, we show that a 1D photonic crystal, a multilayer structure composed of alternating layers of TiO2 and SiO2 , can be used to slow down light by a factor of up to 400. The results also show that better control of the speed of light can be achieved by changing the number of bilayers and the air-gap thickness appropriately. The existence of Bloch surface waves in periodic dielectric multilayer structures with a surface defect is well-known. Not yet recognized is that quasi-crystals and aperiodic dielectric multilayers can also support Bloch-like surface waves. We numerically show the excitation of Bloch-like surface waves in Fibonacci quasi-crystals, Thue-Morse aperiodic dielectric multilayers using the prism coupling method. We report improved surface electric field intensity and penetration depth of Bloch-like surface waves in the air side in such structures compared to their periodic counterparts. Bloch surface waves have also demonstrated significant potential in the field of bios-ensing technology. We further extend our study into a new type of multilayer structure based on Maximal-length sequence, which is a pseudo random sequence. We study the characteristics of Bloch surface waves in a 32 layered Maximal-length sequence multilayer and perform angular, as well as spectral sensitivity analysis for refractive index change detection. We demonstrate numerically that Maximal-length sequence multilayers significantly enhance the sensitivity of Bloch surface waves. Another type of structure that support Bloch surface waves are dielectric multilayer structures with a grating profile on the top-most layer. The grating profile adds an additional degree of freedom to the phase matching conditions for Bloch surface wave excitation. In such structures, the conditions for Bloch surface wave coupling can also be achieved by rotating both polar and azimuthal angles. The generation of Bloch surface waves as a function of azimuthal angle have similar characteristics to conventional grating coupled Bloch surface waves. However, azimuthal generated Bloch surface waves have enhanced angular sensitivity compared to conventional polar angle coupled modes, which makes them appropriate for detecting tiny variations in surface refractive index due to the addition of nano-particles such as protein molecules.

Turbine Engine Hot Section Technology 1986

NASA Technical Reports Server (NTRS)

1986-01-01

The Turbine Engine Hot Section Technology (HOST) Project of the NASA Lewis Research Center sponsored a workshop to discuss current research pertinent to turbine engine durability problems. Presentations were made concerning the hot section environment and the behavior of combustion liners, turbine blades, and turbine vanes. The presentations were divided into six sessions: Instrumentation, Combustion, Turbine Heat Transfer, Structural Analysis, Fatigue and Fracture, and Surface Protection. Topics discussed included modeling of thermal and fluid-flow phenomena, structural analysis, fatigue and fracture, surface protective coatings, constitutive behavior of materials, stress-strain response, and life-prediction methods. Researchers from industry, academia, and government presented results of their work sponsored by the HOST project.

Two-dimensional (2D) infrared correlation study of the structural characterization of a surface immobilized polypeptide film stimulated by pH

NASA Astrophysics Data System (ADS)

Chae, Boknam; Son, Seok Ho; Kwak, Young Jun; Jung, Young Mee; Lee, Seung Woo

2016-11-01

The pH-induced structural changes to surface immobilized poly (L-glutamic acid) (PLGA) films were examined by Fourier transform infrared (FTIR) spectroscopy and two-dimensional (2D) correlation analysis. Significant spectral changes were observed in the FTIR spectra of the surface immobilized PLGA film between pH 6 and 7. The 2D correlation spectra constructed from the pH-dependent FTIR spectra of the surface immobilized PLGA films revealed the spectral changes induced by the alternations of the protonation state of the carboxylic acid group in the PLGA side chain. When the pH was increased from 6 to 8, weak spectral changes in the secondary structure of the PLGA main chain were induced by deprotonation of the carboxylic acid side group.

Laser induced surface structuring of Cu for enhancement of field emission properties

NASA Astrophysics Data System (ADS)

Akram, Mahreen; Bashir, Shazia; Jalil, Sohail Abdul; Shahid Rafique, Muhammad; Hayat, Asma; Mahmood, Khaliq

2018-02-01

The effect of Nd:YAG (1064 nm, 10 ns, 10 Hz) laser induced surface structuring of copper (Cu) for enhancement of field emission (FE) properties has been investigated. X-ray diffraction analysis was employed to investigate the surface structural and compositional modifications. The surface structuring was explored by scanning electron microscope investigation. FE properties were studied under UHV conditions in a parallel plate configuration of planar un-irradiated Cu anode and laser irradiated Cu cathode. The Fowler-Nordheim plots were drawn to confirm the dominance of FE behavior of the measured I-V characteristics. The obtained values of turn-on field ‘E o’, field enhancement factor ‘β’ and maximum current density ‘J max’ come out to be to be in the range of 5.5-8.5 V μm-1, 1380-2730 and 147-375 μA cm-2 respectively for the Cu samples irradiated at laser irradiance ranging from 13 to 50 GW cm-2. The observed enhancement in the FE properties has been correlated with the growth of various surface structures such as ridged protrusions, cones and pores/tiny holes. The porous morphology is found to be responsible for a significant enhancement in the FE parameters.

Recurrence quantification analysis of electrically evoked surface EMG signal.

PubMed

Liu, Chunling; Wang, Xu

2005-01-01

Recurrence Plot is a quite useful tool used in time-series analysis, in particular for measuring unstable periodic orbits embedded in a chaotic dynamical system. This paper introduced the structures of the Recurrence Plot and the ways of the plot coming into being. Then the way of the quantification of the Recurrence Plot is defined. In this paper, one of the possible applications of Recurrence Quantification Analysis (RQA) strategy to the analysis of electrical stimulation evoked surface EMG. The result shows the percent determination is increased along with stimulation intensity.

Visualisation of variable binding pockets on protein surfaces by probabilistic analysis of related structure sets.

PubMed

Ashford, Paul; Moss, David S; Alex, Alexander; Yeap, Siew K; Povia, Alice; Nobeli, Irene; Williams, Mark A

2012-03-14

Protein structures provide a valuable resource for rational drug design. For a protein with no known ligand, computational tools can predict surface pockets that are of suitable size and shape to accommodate a complementary small-molecule drug. However, pocket prediction against single static structures may miss features of pockets that arise from proteins' dynamic behaviour. In particular, ligand-binding conformations can be observed as transiently populated states of the apo protein, so it is possible to gain insight into ligand-bound forms by considering conformational variation in apo proteins. This variation can be explored by considering sets of related structures: computationally generated conformers, solution NMR ensembles, multiple crystal structures, homologues or homology models. It is non-trivial to compare pockets, either from different programs or across sets of structures. For a single structure, difficulties arise in defining particular pocket's boundaries. For a set of conformationally distinct structures the challenge is how to make reasonable comparisons between them given that a perfect structural alignment is not possible. We have developed a computational method, Provar, that provides a consistent representation of predicted binding pockets across sets of related protein structures. The outputs are probabilities that each atom or residue of the protein borders a predicted pocket. These probabilities can be readily visualised on a protein using existing molecular graphics software. We show how Provar simplifies comparison of the outputs of different pocket prediction algorithms, of pockets across multiple simulated conformations and between homologous structures. We demonstrate the benefits of use of multiple structures for protein-ligand and protein-protein interface analysis on a set of complexes and consider three case studies in detail: i) analysis of a kinase superfamily highlights the conserved occurrence of surface pockets at the active and regulatory sites; ii) a simulated ensemble of unliganded Bcl2 structures reveals extensions of a known ligand-binding pocket not apparent in the apo crystal structure; iii) visualisations of interleukin-2 and its homologues highlight conserved pockets at the known receptor interfaces and regions whose conformation is known to change on inhibitor binding. Through post-processing of the output of a variety of pocket prediction software, Provar provides a flexible approach to the analysis and visualization of the persistence or variability of pockets in sets of related protein structures.

Modeling corrosion inhibition efficacy of small organic molecules as non-toxic chromate alternatives using comparative molecular surface analysis (CoMSA).

PubMed

Fernandez, Michael; Breedon, Michael; Cole, Ivan S; Barnard, Amanda S

2016-10-01

Traditionally many structural alloys are protected by primer coatings loaded with corrosion inhibiting additives. Strontium Chromate (or other chromates) have been shown to be extremely effectively inhibitors, and find extensive use in protective primer formulations. Unfortunately, hexavalent chromium which imbues these coatings with their corrosion inhibiting properties is also highly toxic, and their use is being increasingly restricted by legislation. In this work we explore a novel tridimensional Quantitative-Structure Property Relationship (3D-QSPR) approach, comparative molecular surface analysis (CoMSA), which was developed to recognize "high-performing" corrosion inhibitor candidates from the distributions of electronegativity, polarizability and van der Waals volume on the molecular surfaces of 28 small organic molecules. Multivariate statistical analysis identified five prototypes molecules, which are capable of explaining 71% of the variance within the inhibitor data set; whilst a further five molecules were also identified as archetypes, describing 75% of data variance. All active corrosion inhibitors, at a 80% threshold, were successfully recognized by the CoMSA model with adequate specificity and precision higher than 70% and 60%, respectively. The model was also capable of identifying structural patterns, that revealed reasonable starting points for where structural changes may augment corrosion inhibition efficacy. The presented methodology can be applied to other functional molecules and extended to cover structure-activity studies in a diverse range of areas such as drug design and novel material discovery. Copyright © 2016 Elsevier Ltd. All rights reserved.

Liquid crystal colloidal structures for increased silicone deposition efficiency on colour-treated hair.

PubMed

Brown, M A; Hutchins, T A; Gamsky, C J; Wagner, M S; Page, S H; Marsh, J M

2010-06-01

An approach is described to increase the deposition efficiency of silicone conditioning actives from a shampoo on colour-treated hair via liquid crystal (LC) colloidal structures, created with a high charge density cationic polymer, poly(diallyldimethyl ammonium chloride) and negatively charged surfactants. LCs are materials existing structurally between the solid crystalline and liquid phases, and several techniques, including polarized light microscopy, small angle X-Ray analysis, and differential scanning calorimetry, were used to confirm the presence of the LC structures in the shampoo formula. Silicone deposition from the LC-containing shampoo and a control shampoo was measured on a range of hair substrates, and data from inductively coupled plasma optical emission spectroscopy analysis and ToF-SIMS imaging illustrate the enhancement in silicone deposition for the LC shampoo on all hair types tested, with the most pronounced enhancement occurring on hair that had undergone oxidative treatments, such as colouring. A model is proposed in which the LC structure deposits from the shampoo onto the hair to: (i) provide 'slip planes' along the hair surface for wet conditioning purposes and (ii) form a hydrophobic layer which changes the surface energy of the fibres. This increase in hydrophobicity of the hair surface thereby increases the deposition efficiency of silicone conditioning ingredients. Zeta potential measurements, dynamic absorbency testing analysis and ToF-SIMS imaging were used to better understand the mechanisms of action. This approach to increasing silicone deposition is an improvement relative to conventional conditioning shampoos, especially for colour-treated hair.

Ready to use bioinformatics analysis as a tool to predict immobilisation strategies for protein direct electron transfer (DET).

PubMed

Cazelles, R; Lalaoui, N; Hartmann, T; Leimkühler, S; Wollenberger, U; Antonietti, M; Cosnier, S

2016-11-15

Direct electron transfer (DET) to proteins is of considerable interest for the development of biosensors and bioelectrocatalysts. While protein structure is mainly used as a method of attaching the protein to the electrode surface, we employed bioinformatics analysis to predict the suitable orientation of the enzymes to promote DET. Structure similarity and secondary structure prediction were combined underlying localized amino-acids able to direct one of the enzyme's electron relays toward the electrode surface by creating a suitable bioelectrocatalytic nanostructure. The electro-polymerization of pyrene pyrrole onto a fluorine-doped tin oxide (FTO) electrode allowed the targeted orientation of the formate dehydrogenase enzyme from Rhodobacter capsulatus (RcFDH) by means of hydrophobic interactions. Its electron relays were directed to the FTO surface, thus promoting DET. The reduction of nicotinamide adenine dinucleotide (NAD(+)) generating a maximum current density of 1μAcm(-2) with 10mM NAD(+) leads to a turnover number of 0.09electron/s/molRcFDH. This work represents a practical approach to evaluate electrode surface modification strategies in order to create valuable bioelectrocatalysts. Copyright © 2016 Elsevier B.V. All rights reserved.

A Hybrid Numerical Analysis Method for Structural Health Monitoring

NASA Technical Reports Server (NTRS)

Forth, Scott C.; Staroselsky, Alexander

2001-01-01

A new hybrid surface-integral-finite-element numerical scheme has been developed to model a three-dimensional crack propagating through a thin, multi-layered coating. The finite element method was used to model the physical state of the coating (far field), and the surface integral method was used to model the fatigue crack growth. The two formulations are coupled through the need to satisfy boundary conditions on the crack surface and the external boundary. The coupling is sufficiently weak that the surface integral mesh of the crack surface and the finite element mesh of the uncracked volume can be set up independently. Thus when modeling crack growth, the finite element mesh can remain fixed for the duration of the simulation as the crack mesh is advanced. This method was implemented to evaluate the feasibility of fabricating a structural health monitoring system for real-time detection of surface cracks propagating in engine components. In this work, the authors formulate the hybrid surface-integral-finite-element method and discuss the mechanical issues of implementing a structural health monitoring system in an aircraft engine environment.

Graft Polymerization of Acrylic Acid on a Polytetrafluoroethylene Panel by an Inductively Coupled Plasma

NASA Astrophysics Data System (ADS)

Lan, Yan; You, Qingliang; Cheng, Cheng; Zhang, Suzhen; Ni, Guohua; Nagatsu, M.; Meng, Yuedong

2011-02-01

Surface modification on a polytetrafluoroethylene (PTFE) panel was performed with sequential nitrogen plasma treatments and surface-initiated polymerization. By introducing COO- groups to the surface of the PTFE panel through grafting polymerization of acrylic acid (AA), a transparent poly (acrylic acid) (PAA) membrane was achieved from acrylic acid solution. Grafting polymerization initiating from the active groups was achieved on the PTFE panel surface after the nitrogen plasma treatment. Utilizing the acrylic acid as monomers, with COO- groups as cross link sites to form reticulation structure, a transparent poly (acrylic acid) membrane with arborescent macromolecular structure was formed on the PTFE panel surface. Analysis methods, such as fourier transform infrared spectroscopy (FTIR), microscopy and X-ray photoelectron spectroscopy (XPS), were utilized to characterize the structures of the macromolecule membrane on the PTFE panel surface. A contact angle measurement was performed to characterize the modified PTFE panels. The surface hydrophilicities of modified PTFE panels were significantly enhanced after the plasma treatment. It was shown that the grafting rate is related to the treating time and the power of plasma.

Synthesis and Surface-Specific Analysis of Molecular Constituents Relevant to Biogenic Secondary Organic Aerosol Material

NASA Astrophysics Data System (ADS)

Be, A. G.; Upshur, M. A.; Chase, H. M.; Geiger, F.; Thomson, R. J.

2017-12-01

Secondary organic aerosol (SOA) particles formed from the oxidation of biogenic volatile organic compounds (BVOCs) remain a principal, yet elusive, class of airborne particulate matter that impacts the Earth's radiation budget. Given the characteristic molecular complexity comprising biogenic SOA particles, chemical information selective to the gas-aerosol interface may be valuable in the investigation of such systems, as surface considerations likely dictate the phenomena driving particle evolution mechanisms and climate effects. In particular, cloud activation processes may be parameterized using the surface tension depression that coincides with partitioning of surface-active organic species to the gas-droplet interface. However, the extent to which surface chemical processes, such as cloud droplet condensation, are influenced by the chemical structure and reactivity of individual surface-active molecules in SOA particles is largely unknown. We seek to study terpene-derived organic species relevant to the surfaces of biogenic SOA particles via synthesis of putative oxidation products followed by analysis using surface-selective physicochemical measurements. Using dynamic surface tension measurements, considerable differences are observed in the surface tension depression of aqueous pendant droplets that contain synthetically prepared ozonolysis products derived from abundant terpene precursors. Furthermore, sum frequency generation spectroscopy is utilized for comparison of the surface vibrational spectral responses of synthesized reference compounds with those observed for laboratory aerosol toward probing the surface composition of SOA material. Such ongoing findings highlight the underlying importance of molecular structure and reactivity when considering the surface chemistry of biogenic terpene-derived atmospheric aerosols.

Sensitivity of Rayleigh wave ellipticity and implications for surface wave inversion

NASA Astrophysics Data System (ADS)

Cercato, Michele

2018-04-01

The use of Rayleigh wave ellipticity has gained increasing popularity in recent years for investigating earth structures, especially for near-surface soil characterization. In spite of its widespread application, the sensitivity of the ellipticity function to the soil structure has been rarely explored in a comprehensive and systematic manner. To this end, a new analytical method is presented for computing the sensitivity of Rayleigh wave ellipticity with respect to the structural parameters of a layered elastic half-space. This method takes advantage of the minor decomposition of the surface wave eigenproblem and is numerically stable at high frequency. This numerical procedure allowed to retrieve the sensitivity for typical near surface and crustal geological scenarios, pointing out the key parameters for ellipticity interpretation under different circumstances. On this basis, a thorough analysis is performed to assess how ellipticity data can efficiently complement surface wave dispersion information in a joint inversion algorithm. The results of synthetic and real-world examples are illustrated to analyse quantitatively the diagnostic potential of the ellipticity data with respect to the soil structure, focusing on the possible sources of misinterpretation in data inversion.

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

Das, Kaushik, E-mail: kaushikdas2089@gmail.com; Kundu, Sarathi

Long chain fatty acid molecules (e.g., stearic and behenic acids) form a monolayer on water surface in the presence of Ba{sup 2+} ions at low subphase pH (≈ 5.5) and remain as a monolayer before collapse generally occurs at higher surface pressure (π{sub c} > 50 mN/m). Monolayer formation is verified from the surface pressure vs. area per molecule (π-A) isotherms and also from the atomic force microscopy (AFM) analysis of the films deposited by single upstroke of hydrophilic Si (001) substrate through the monolayer covered water surface. At high subphase pH (≈ 9.5), barium stearate molecules form multilayer structuremore » at lower surface pressure which is verified from the π-A isotherms and AFM analysis of the film deposited at 25 mN/m. Such monolayer to multilayer structure formation or monolayer collapse at lower surface pressure is unusual as at this surface pressure generally fatty acid salt molecules form a monolayer on the water surface. Formation of bidentate chelate coordination in the metal containing headgroups is the reason for such monolayer to multilayer transition. However, for longer chain barium behenate molecules only monolayer structure is maintained at that high subphase pH (≈ 9.5) due to the presence of relatively more tail-tail hydrophobic interaction.« less

Stiffness Matrix of Thin-Walled Open Bar Subject to Bending, Bending Torsion and Shift of Cross Section Middle Surface

NASA Astrophysics Data System (ADS)

Panasenko, N. N.; Sinelschikov, A. V.

2017-11-01

One of the main stages in the analysis of complex 3D structures and engineering constructions made of thin-walled open bars using FEM is a stiffness matrix developing. Taking into account middle surface shear deformation caused by the work of tangential stresses in the formula to calculate a potential energy of thin-walled open bars, the authors obtain an important correction at calculation of the bar deformation and fundamental frequencies. The results of the analysis of the free end buckling of a cantilever H-bar under plane bending differ from exact solution by 0.53%. In the course of comparison of the obtained results with the cantilever bar buckling regardless the middle surface shear deformation, an increase made 16.6%. The stiffness matrix of a thin-walled open bar developed in the present work can be integrated into any software suite using FEM for the analysis of complex 3-D structures and engineering constructions with n-freedoms.

Analysis investigation of supporting and restraint conditions on the surface deformation of a collimator primary mirror

NASA Astrophysics Data System (ADS)

Chan, Chia-Yen; You, Zhen-Ting; Huang, Bo-Kai; Chen, Yi-Cheng; Huang, Ting-Ming

2015-09-01

For meeting the requirements of the high-precision telescopes, the design of collimator is essential. The diameter of the collimator should be larger than that of the target for the using of alignment. Special supporting structures are demanded to reduce the deformation of gravity and to control the surface deformation induced by the mounting force when inspecting large-aperture primary mirrors. By using finite element analysis, a ZERODUR® mirror of a diameter of 620 mm will be analyzed to obtain the deformation induced by the supporting structures. Zernike polynomials will also be adopted to fit the optical surface and separate corresponding aberrations. Through the studies under different boundary conditions and supporting positions of the inner ring, it is concluded that the optical performance will be excellent under a strong enough supporter.

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

Sequence-Dependent Structure/Function Relationships of Catalytic Peptide-Enabled Gold Nanoparticles Generated under Ambient Synthetic Conditions.

PubMed

Bedford, Nicholas M; Hughes, Zak E; Tang, Zhenghua; Li, Yue; Briggs, Beverly D; Ren, Yang; Swihart, Mark T; Petkov, Valeri G; Naik, Rajesh R; Knecht, Marc R; Walsh, Tiffany R

2016-01-20

Peptide-enabled nanoparticle (NP) synthesis routes can create and/or assemble functional nanomaterials under environmentally friendly conditions, with properties dictated by complex interactions at the biotic/abiotic interface. Manipulation of this interface through sequence modification can provide the capability for material properties to be tailored to create enhanced materials for energy, catalysis, and sensing applications. Fully realizing the potential of these materials requires a comprehensive understanding of sequence-dependent structure/function relationships that is presently lacking. In this work, the atomic-scale structures of a series of peptide-capped Au NPs are determined using a combination of atomic pair distribution function analysis of high-energy X-ray diffraction data and advanced molecular dynamics (MD) simulations. The Au NPs produced with different peptide sequences exhibit varying degrees of catalytic activity for the exemplar reaction 4-nitrophenol reduction. The experimentally derived atomic-scale NP configurations reveal sequence-dependent differences in structural order at the NP surface. Replica exchange with solute-tempering MD simulations are then used to predict the morphology of the peptide overlayer on these Au NPs and identify factors determining the structure/catalytic properties relationship. We show that the amount of exposed Au surface, the underlying surface structural disorder, and the interaction strength of the peptide with the Au surface all influence catalytic performance. A simplified computational prediction of catalytic performance is developed that can potentially serve as a screening tool for future studies. Our approach provides a platform for broadening the analysis of catalytic peptide-enabled metallic NP systems, potentially allowing for the development of rational design rules for property enhancement.

Effects of Al(3+) doping on the structure and properties of goethite and its adsorption behavior towards phosphate.

PubMed

Li, Wei; Wang, Longjun; Liu, Fan; Liang, Xiaoliang; Feng, Xionghan; Tan, Wenfeng; Zheng, Lirong; Yin, Hui

2016-07-01

Al substitution in goethite is common in soils, and has strong influence on the structure and physicochemical properties of goethite. In this research, a series of Al-doped goethites were synthesized, and characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR) and extended X-ray absorption fine structure (EXAFS) spectroscopy. The adsorption behavior of these samples towards PO4(3-) was also investigated. Characterization results demonstrated that increasing Al content in goethite led to a reduction in crystallinity, increase in specific surface area (SSA), and morphology change from needle-like to granular. Rietveld structure refinement revealed that the lattice parameter a remained almost constant and b slightly decreased, but c was significantly reduced, and the calculated crystal density increased. EXAFS analysis demonstrated that the Fe(Al)-O distance in the structure of the doped goethites was almost the same, but the Fe-Fe(Al) distance decreased with increasing Al content. Surface analysis showed that, with increasing Al content, the content of OH groups on the mineral surface increased. The adsorption of phosphate per unit mass of Al-doped goethite increased, while adsorption per unit area decreased owing to the decrease of the relative proportion of (110) facets in the total surface area of the minerals. The results of this research facilitate better understanding of the effect of Al substitution on the structure and properties of goethite and the cycling of phosphate in the environment. Copyright © 2016. Published by Elsevier B.V.

Comparative analysis of Trichuris muris surface using conventional, low vacuum, environmental and field emission scanning electron microscopy.

PubMed

Lopes Torres, Eduardo José; de Souza, Wanderley; Miranda, Kildare

2013-09-23

The whipworm of the genus Trichuris Roederer, 1791, is a nematode of worldwide distribution and comprises species that parasitize humans and other mammals. Infections caused by Trichuris spp. in mammals can lead to various intestinal diseases of human and veterinary interest. The morphology of Trichuris spp. and other helminths has been mostly studied using conventional scanning electron microscopy of chemically fixed, dried and metal-coated specimens, although this kind of preparation has been shown to introduce a variety of artifacts such as sample shrinking, loss of secreted products and/or hiding of small structures due to sample coating. Low vacuum (LVSEM) and environmental scanning electron microscopy (ESEM) have been applied to a variety of insulator samples, also used in the visualization of hydrated and/or live specimens in their native state. In the present work, we used LVSEM and ESEM to analyze the surface of T. muris and analyze its interaction with the host tissue using freshly fixed or unfixed hydrated samples. Analysis of hydrated samples showed a set of new features on the surface of the parasite and the host tissue, including the presence of the secretory products of the bacillary glands on the surface of the parasite, and the presence of mucous material and eggs on the intestinal surface. Field emission scanning electron microscopy (FESEM) was also applied to reveal the detailed structure of the glandular chambers in fixed, dried and metal coated samples. Taken together, the results show that analysis of hydrated samples may provide new insights in the structural organization of the surface of helminth parasites and its interaction with the infected tissue, suggesting that the application of alternative SEM techniques may open new perspectives for analysis in taxonomy, morphology and host-parasite interaction fields. Copyright © 2013 Elsevier B.V. All rights reserved.

Surface and adsorbate structural analysis from time-of-flight scattering and recoiling spectrometry (TOF-SARS)

NASA Astrophysics Data System (ADS)

Rabalais, J. W.; Bu, H.; Roux, C.

1992-02-01

The methods of obtaining surface structural information from low energy ion scattering spectrometry are described. These methods include measurements of backscattering, forwardscattering, and recoiling intensities vs beam incident α, beam exit β, crystal azimuthal δ, and scattering Θ angles. References are provided which give examples of each different kind of measurement. The technique of time-of-flight scattering and recoiling spectrometry (TOF-SARS), which collects both scattered.and recoiled neutrals and ions simultaneously, is described. TOF-SARS data for the three surface phases, clean Ni{110}-(1 × 1), Ni{110}-(1 × 2)-H missing row, and Ni{110}-(2 × 1)-O missing row, are used to illustrate some of the structural measurements.

Crystal Structure Variations of Sn Nanoparticles upon Heating

NASA Astrophysics Data System (ADS)

Mittal, Jagjiwan; Lin, Kwang-Lung

2018-04-01

Structural changes in Sn nanoparticles during heating below the melting point have been investigated using differential scanning calorimetry (DSC), x-ray diffraction (XRD) analysis, electron diffraction (ED), and high-resolution transmission electron microscopy (HRTEM). DSC revealed that the heat required to melt the nanoparticles (28.43 J/g) was about half compared with Sn metal (52.80 J/g), which was attributed to the large surface energy contribution for the nanoparticles. ED and XRD analyses of the Sn nanoparticles revealed increased intensity for crystal planes having large interplaner distances compared with regular crystal planes with increasing heat treatment temperature (HTT). HRTEM revealed an increase in interlayer spacing at the surface and near joints between nanoparticles with the HTT, leading to an amorphous structure of nanoparticles at the surface at 220°C. These results highlight the changes that occur in the morphology and crystal structure of Sn nanoparticles at the surface and in the interior with increase of the heat treatment temperature.

Super Water-Repellent Fractal Surfaces of a Photochromic Diarylethene Induced by UV Light

NASA Astrophysics Data System (ADS)

Izumi, Norikazu; Minami, Takayuki; Mayama, Hiroyuki; Takata, Atsushi; Nakamura, Shinichiro; Yokojima, Satoshi; Tsujii, Kaoru; Uchida, Kingo

2008-09-01

Photochromic diarylethene forms super water-repellent surfaces upon irradiation with UV light. Microfibril-like crystals grow on the solid diarylethene surface after UV irradiation, and the contact angle of water on the surface becomes larger with increasing surface roughness with time. The fractal analysis was made by the box-counting method for the rough surfaces. There are three regions in the roughness size having the fractal dimension of ca. 2.4 (size of roughness smaller than 5 µm), of ca. 2.2 (size of roughness between 5-40 µm), and of ca. 2.0 (size of roughness larger than 40 µm). The fractal dimension of ca. 2.4 was due to the fibril-like structures generated gradually by UV irradiation on diarylethene surfaces accompanied with an increase in the contact angle. The surface structure with larger fractal dimension mainly contributes to realizing the super water-repellency of the diarylethene surfaces. This mechanism of spontaneous formation of fractal surfaces is similar to that for triglyceride and alkylketene dimer waxes.

Traditional Mold Analysis Compared to a DNA-based Method of Mold Analysis with Applications in Asthmatics' Homes

EPA Science Inventory

Traditional environmental mold analysis is based-on microscopic observations and counting of mold structures collected from the air on a sticky surface or culturing of molds on growth media for identification and quantification. A DNA-based method of mold analysis called mol...

Detection and analysis of diamond fingerprinting feature and its application

NASA Astrophysics Data System (ADS)

Li, Xin; Huang, Guoliang; Li, Qiang; Chen, Shengyi

2011-01-01

Before becoming a jewelry diamonds need to be carved artistically with some special geometric features as the structure of the polyhedron. There are subtle differences in the structure of this polyhedron in each diamond. With the spatial frequency spectrum analysis of diamond surface structure, we can obtain the diamond fingerprint information which represents the "Diamond ID" and has good specificity. Based on the optical Fourier Transform spatial spectrum analysis, the fingerprinting identification of surface structure of diamond in spatial frequency domain was studied in this paper. We constructed both the completely coherent diamond fingerprinting detection system illuminated by laser and the partially coherent diamond fingerprinting detection system illuminated by led, and analyzed the effect of the coherence of light source to the diamond fingerprinting feature. We studied rotation invariance and translation invariance of the diamond fingerprinting and verified the feasibility of real-time and accurate identification of diamond fingerprint. With the profit of this work, we can provide customs, jewelers and consumers with a real-time and reliable diamonds identification instrument, which will curb diamond smuggling, theft and other crimes, and ensure the healthy development of the diamond industry.

Potential collapse due to geological structures influence in Seropan Cave, Gunung Kidul, Yogyakarta, Indonesia

NASA Astrophysics Data System (ADS)

Nugroho, B.; Pranantya, P. A.; Witjahjati, R.; Rofinus

2018-01-01

This study aims to estimate the potential collapse in the Seropan cave, based on the existing geological structure conditions in the cave. This is very necessary because in the Seropan cave will be built Microhydro installation for power plants. The electricity will be used to raise the underground river water in the cave to a barren soil surface, which can be used for surface irrigation. The method used is analysis the quality of rock mass along the cave. Analysis of rock mass quality using Geomechanical Classification or Rock Mass Rating (RMR), to determine the magnitude of the effect of geological structure on rock mass stability. The research path is divided into several sections and quality analysis is performed on each section. The results show that the influence of geological structure is very large and along the cave where the research there are several places that have the potential to collapse, so need to get serious attention in handling it. Nevertheless, the construction of this Microhydro installation can still be carried out by making a reinforcement on potentially collapsing parts

Structure and Li+ ion transport in a mixed carbonate/LiPF6 electrolyte near graphite electrode surfaces: a molecular dynamics study.

PubMed

Boyer, Mathew J; Vilčiauskas, Linas; Hwang, Gyeong S

2016-10-12

Electrolyte and electrode materials used in lithium-ion batteries have been studied separately to a great extent, however the structural and dynamical properties of the electrolyte-electrode interface still remain largely unexplored despite its critical role in governing battery performance. Using molecular dynamics simulations, we examine the structural reorganization of solvent molecules (cyclic ethylene carbonate : linear dimethyl carbonate 1 : 1 molar ratio doped with 1 M LiPF 6 ) in the vicinity of graphite electrodes with varying surface charge densities (σ). The interfacial structure is found to be sensitive to the molecular geometry and polarity of each solvent molecule as well as the surface structure and charge distribution of the negative electrode. We also evaluated the potential difference across the electrolyte-electrode interface, which exhibits a nearly linear variation with respect to σ up until the onset of Li + ion accumulation onto the graphite edges from the electrolyte. In addition, well-tempered metadynamics simulations are employed to predict the free-energy barriers to Li + ion transport through the relatively dense interfacial layer, along with analysis of the Li + solvation sheath structure. Quantitative analysis of the molecular arrangements at the electrolyte-electrode interface will help better understand and describe electrolyte decomposition, especially in the early stages of solid-electrolyte-interphase (SEI) formation. Moreover, the computational framework presented in this work offers a means to explore the effects of solvent composition, electrode surface modification, and operating temperature on the interfacial structure and properties, which may further assist in efforts to engineer the electrolyte-electrode interface leading to a SEI layer that optimizes battery performance.

Quantitative evaluation method of the bubble structure of sponge cake by using morphology image processing

NASA Astrophysics Data System (ADS)

Tatebe, Hironobu; Kato, Kunihito; Yamamoto, Kazuhiko; Katsuta, Yukio; Nonaka, Masahiko

2005-12-01

Now a day, many evaluation methods for the food industry by using image processing are proposed. These methods are becoming new evaluation method besides the sensory test and the solid-state measurement that are using for the quality evaluation. An advantage of the image processing is to be able to evaluate objectively. The goal of our research is structure evaluation of sponge cake by using image processing. In this paper, we propose a feature extraction method of the bobble structure in the sponge cake. Analysis of the bubble structure is one of the important properties to understand characteristics of the cake from the image. In order to take the cake image, first we cut cakes and measured that's surface by using the CIS scanner. Because the depth of field of this type scanner is very shallow, the bubble region of the surface has low gray scale values, and it has a feature that is blur. We extracted bubble regions from the surface images based on these features. First, input image is binarized, and the feature of bubble is extracted by the morphology analysis. In order to evaluate the result of feature extraction, we compared correlation with "Size of the bubble" of the sensory test result. From a result, the bubble extraction by using morphology analysis gives good correlation. It is shown that our method is as well as the subjectivity evaluation.

The study of dynamic force acted on water strider leg departing from water surface

NASA Astrophysics Data System (ADS)

Sun, Peiyuan; Zhao, Meirong; Jiang, Jile; Zheng, Yelong

2018-01-01

Water-walking insects such as water striders can skate on the water surface easily with the help of the hierarchical structure on legs. Numerous theoretical and experimental studies show that the hierarchical structure would help water strider in quasi-static case such as load-bearing capacity. However, the advantage of the hierarchical structure in the dynamic stage has not been reported yet. In this paper, the function of super hydrophobicity and the hierarchical structure was investigated by measuring the adhesion force of legs departing from the water surface at different lifting speed by a dynamic force sensor. The results show that the adhesion force decreased with the increase of lifting speed from 0.02 m/s to 0.4 m/s, whose mechanic is investigated by Energy analysis. In addition, it can be found that the needle shape setae on water strider leg can help them depart from water surface easily. Thus, it can serve as a starting point to understand how the hierarchical structure on the legs help water-walking insects to jump upward rapidly to avoid preying by other insects.

Characteristic analysis of surface waves in a sensitive plasma absorption probe

NASA Astrophysics Data System (ADS)

You, Wei; Li, Hong; Tan, Mingsheng; Liu, Wandong

2018-01-01

With features that are simple to construct and a symmetric configuration, the sensitive plasma absorption probe (SPAP) is a dependable probe for industry plasma diagnosis. The minimum peak in the characteristic curve of the coefficient of reflection stems from the surface wave resonance in plasma. We use numerical simulation methods to analyse the details of the excitation and propagation of these surface waves. With this method, the electromagnetic field structure and the resonance and propagation characteristics of the surface wave were analyzed simultaneously using the simulation method. For this SPAP structure, there are three different propagation paths for the propagating plasma surface wave. The propagation characteristic of the surface wave along each path is presented. Its dispersion relation is also calculated. The objective is to complete the relevant theory of the SPAP as well as the propagation process of the plasma surface wave.

Surface buckling of black phosphorus: Determination, origin, and influence on electronic structure

NASA Astrophysics Data System (ADS)

Dai, Zhongwei; Jin, Wencan; Yu, Jie-Xiang; Grady, Maxwell; Sadowski, Jerzy T.; Kim, Young Duck; Hone, James; Dadap, Jerry I.; Zang, Jiadong; Osgood, Richard M.; Pohl, Karsten

2017-12-01

The surface structure of black phosphorus materials is determined using surface-sensitive dynamical microspot low energy electron diffraction (μ LEED ) analysis using a high spatial resolution low energy electron microscopy (LEEM) system. Samples of (i) crystalline cleaved black phosphorus (BP) at 300 K and (ii) exfoliated few-layer phosphorene (FLP) of about 10 nm thickness which were annealed at 573 K in vacuum were studied. In both samples, a significant surface buckling of 0.22 Å and 0.30 Å, respectively, is measured, which is one order of magnitude larger than previously reported. As direct evidence for large buckling, we observe a set of (for the flat surface forbidden) diffraction spots. Using first-principles calculations, we find that the presence of surface vacancies is responsible for the surface buckling in both BP and FLP, and is related to the intrinsic hole doping of phosphoresce materials previously reported.

Surface buckling of black phosphorus: Determination, origin, and influence on electronic structure

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

Dai, Zhongwei; Jin, Wencan; Yu, Jie-Xiang

The surface structure of black phosphorus materials is determined using surface-sensitive dynamical microspot low energy electron diffraction ( μ LEED ) analysis using a high spatial resolution low energy electron microscopy (LEEM) system. Samples of (i) crystalline cleaved black phosphorus (BP) at 300 K and (ii) exfoliated few-layer phosphorene (FLP) of about 10 nm thickness which were annealed at 573 K in vacuum were studied. In both samples, a significant surface buckling of 0.22 Å and 0.30 Å, respectively, is measured, which is one order of magnitude larger than previously reported. As direct evidence for large buckling, we observe amore » set of (for the flat surface forbidden) diffraction spots. Using first-principles calculations, we find that the presence of surface vacancies is responsible for the surface buckling in both BP and FLP, and is related to the intrinsic hole doping of phosphoresce materials previously reported.« less

Surface buckling of black phosphorus: Determination, origin, and influence on electronic structure

DOE PAGES

Dai, Zhongwei; Jin, Wencan; Yu, Jie-Xiang; ...

2017-12-29

The surface structure of black phosphorus materials is determined using surface-sensitive dynamical microspot low energy electron diffraction ( μ LEED ) analysis using a high spatial resolution low energy electron microscopy (LEEM) system. Samples of (i) crystalline cleaved black phosphorus (BP) at 300 K and (ii) exfoliated few-layer phosphorene (FLP) of about 10 nm thickness which were annealed at 573 K in vacuum were studied. In both samples, a significant surface buckling of 0.22 Å and 0.30 Å, respectively, is measured, which is one order of magnitude larger than previously reported. As direct evidence for large buckling, we observe amore » set of (for the flat surface forbidden) diffraction spots. Using first-principles calculations, we find that the presence of surface vacancies is responsible for the surface buckling in both BP and FLP, and is related to the intrinsic hole doping of phosphoresce materials previously reported.« less

Stem cell behavior on tailored porous oxide surface coatings.

PubMed

Lavenus, Sandrine; Poxson, David J; Ogievetsky, Nika; Dordick, Jonathan S; Siegel, Richard W

2015-07-01

Nanoscale surface topographies are known to have a profound influence on cell behavior, including cell guidance, migration, morphology, proliferation, and differentiation. In this study, we have observed the behavior of human mesenchymal stem cells cultured on a range of tailored porous SiO2 and TiO2 nanostructured surface coatings fabricated via glancing angle electron-beam deposition. By controlling the physical vapor deposition angle during fabrication, we could control systematically the deposited coating porosity, along with associated topographic features. Immunocytochemistry and image analysis quantitatively revealed the number of adherent cells, as well as their basic cellular morphology, on these surfaces. Signaling pathway studies showed that even with subtle changes in nanoscale surface structures, the behavior of mesenchymal stem cells was strongly influenced by the precise surface structures of these porous coatings. Copyright © 2015 Elsevier Ltd. All rights reserved.

Characterization of cracking behavior using posttest fractographic analysis

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

Kobayashi, T.; Shockey, D.A.

A determination of time to initiation of stress corrosion cracking in structures and test specimens is important for performing structural failure analysis and for setting inspection intervals. Yet it is seldom possible to establish how much of a component's lifetime represents the time to initiation of fracture and how much represents postinitiation crack growth. This exploratory research project was undertaken to examine the feasibility of determining crack initiation times and crack growth rates from posttest examination of fracture surfaces of constant-extension-rate-test (CERT) specimens by using the fracture reconstruction applying surface topography analysis (FRASTA) technique. The specimens used in this studymore » were Type 304 stainless steel fractured in several boiling water reactor (BWR) aqueous environments. 2 refs., 25 figs., 2 tabs.« less

A Study of the Surface Structure of Polymorphic Graphene and Other Two-Dimensional Materials for Use in Novel Electronics and Organic Photovoltaics

NASA Astrophysics Data System (ADS)

Grady, Maxwell

For some time there has been interest in the fundamental physical properties of low- dimensional material systems. The discovery of graphene as a stable two-dimensional form of solid carbon lead to an exponential increase in research in two-dimensional and other re- duced dimensional systems. It is now known that there is a wide range of materials which are stable in two-dimensional form. These materials span a large configuration space of struc- tural, mechanical, and electronic properties, which results in the potential to create novel electronic devices from nano-scale heterostructures with exactly tailored device properties. Understanding the material properties at the nanoscale level requires specialized tools to probe materials with atomic precision. Here I present the growth and analysis of a novel graphene-ruthenium system which exhibits unique polymorphism in its surface structure, hereby referred to as polymorphic graphene. Scanning Tunneling Microscopy (STM) investigations of the polymorphic graphene surface reveal a periodically rippled structure with a vast array of domains, each exhibiting xvia unique moire period. The majority of moire domains found in this polymorphic graphene system are previously unreported in past studies of the structure of graphene on ruthenium. To better understand many of the structural properties of this system, characterization methods beyond those available at the UNH surface science lab are employed. Further investigation using Low Energy Electron Microscopy (LEEM) has been carried out at Sandia National Laboratory's Center for Integrated Nanotechnology and the Brookhaven National Laboratory Center for Functional Nanomaterials. To aid in analysis of the LEEM data, I have developed an open source software package to automate extraction of electron reflectivity curves from real space and reciprocal space data sets. This software has been used in the study of numerous other two-dimensional materials beyond graphene. When combined with computational modeling, the analysis of electron I(V) curves presents a method to quantify structural parameters in a material with angstrom level precision. While many materials studied in this thesis offer unique electronic properties, my work focuses primarily on their structural aspects, as well as the instrumentation required to characterize the structure with ultra high resolution.

A pediatric brain structure atlas from T1-weighted MR images

NASA Astrophysics Data System (ADS)

Shan, Zuyao Y.; Parra, Carlos; Ji, Qing; Ogg, Robert J.; Zhang, Yong; Laningham, Fred H.; Reddick, Wilburn E.

2006-03-01

In this paper, we have developed a digital atlas of the pediatric human brain. Human brain atlases, used to visualize spatially complex structures of the brain, are indispensable tools in model-based segmentation and quantitative analysis of brain structures. However, adult brain atlases do not adequately represent the normal maturational patterns of the pediatric brain, and the use of an adult model in pediatric studies may introduce substantial bias. Therefore, we proposed to develop a digital atlas of the pediatric human brain in this study. The atlas was constructed from T1 weighted MR data set of a 9 year old, right-handed girl. Furthermore, we extracted and simplified boundary surfaces of 25 manually defined brain structures (cortical and subcortical) based on surface curvature. Higher curvature surfaces were simplified with more reference points; lower curvature surfaces, with fewer. We constructed a 3D triangular mesh model for each structure by triangulation of the structure's reference points. Kappa statistics (cortical, 0.97; subcortical, 0.91) indicated substantial similarities between the mesh-defined and the original volumes. Our brain atlas and structural mesh models (www.stjude.org/BrainAtlas) can be used to plan treatment, to conduct knowledge and modeldriven segmentation, and to analyze the shapes of brain structures in pediatric patients.

Structural motif screening reveals a novel, conserved carbohydrate-binding surface in the pathogenesis-related protein PR-5d.

PubMed

Doxey, Andrew C; Cheng, Zhenyu; Moffatt, Barbara A; McConkey, Brendan J

2010-08-03

Aromatic amino acids play a critical role in protein-glycan interactions. Clusters of surface aromatic residues and their features may therefore be useful in distinguishing glycan-binding sites as well as predicting novel glycan-binding proteins. In this work, a structural bioinformatics approach was used to screen the Protein Data Bank (PDB) for coplanar aromatic motifs similar to those found in known glycan-binding proteins. The proteins identified in the screen were significantly associated with carbohydrate-related functions according to gene ontology (GO) enrichment analysis, and predicted motifs were found frequently within novel folds and glycan-binding sites not included in the training set. In addition to numerous binding sites predicted in structural genomics proteins of unknown function, one novel prediction was a surface motif (W34/W36/W192) in the tobacco pathogenesis-related protein, PR-5d. Phylogenetic analysis revealed that the surface motif is exclusive to a subfamily of PR-5 proteins from the Solanaceae family of plants, and is absent completely in more distant homologs. To confirm PR-5d's insoluble-polysaccharide binding activity, a cellulose-pulldown assay of tobacco proteins was performed and PR-5d was identified in the cellulose-binding fraction by mass spectrometry. Based on the combined results, we propose that the putative binding site in PR-5d may be an evolutionary adaptation of Solanaceae plants including potato, tomato, and tobacco, towards defense against cellulose-containing pathogens such as species of the deadly oomycete genus, Phytophthora. More generally, the results demonstrate that coplanar aromatic clusters on protein surfaces are a structural signature of glycan-binding proteins, and can be used to computationally predict novel glycan-binding proteins from 3 D structure.

Do dynamic cement-on-cement knee spacers provide better function and activity during two-stage exchange?

PubMed

Jaekel, David J; Day, Judd S; Klein, Gregg R; Levine, Harlan; Parvizi, Javad; Kurtz, Steven M

2012-09-01

Implantation of an antibiotic bone cement spacer is used to treat infection of a TKA. Dynamic spacers fashioned with cement-on-cement articulating surfaces potentially facilitate patient mobility and reduce bone loss as compared with their static counterparts, while consisting of a biomaterial not traditionally used for load-bearing articulations. However, their direct impact on patient mobility and wear damage while implanted remains poorly understood. We characterized patient activity, surface damage, and porous structure of dynamic cement-on-cement spacers. We collected 22 dynamic and 14 static knee antibiotic cement spacers at revision surgeries at times ranging from 0.5 to 13 months from implantation. For these patients, we obtained demographic data and UCLA activity levels. We characterized surface damage using the Hood damage scoring method and used micro-CT analysis to observe the internal structure, cracking, and porosity of the cement. The average UCLA score was higher for patients with dynamic spacers than for patients with static spacers, with no differences in BMI or age. Burnishing was the only prevalent damage mode on all the bearing surfaces. Micro-CT analysis revealed the internal structure of the spacers was porous and highly inhomogeneous, including heterogeneous dispersion of radiopaque material and cavity defects. The average porosity was 8% (range, 1%-29%) and more than ½ of the spacers had pores greater than 1 mm in diameter. Our observations suggest dynamic, cement-on-cement spacers allow for increased patient activity without catastrophic failure. Despite the antibiotic loading and internal structural inhomogeneity, burnishing was the only prevalent damage mode that could be consistently classified with no evidence of fracture or delamination. The porous structure of the spacers varied highly across the surfaces without influencing the material failure.

Optical fiber tip with point light source of SPPs driven by three-dimensional nanostructured asymmetric metal-insulator-metal layer cap

NASA Astrophysics Data System (ADS)

Oshikane, Yasushi; Murai, Kensuke; Nakano, Motohiro

2015-09-01

Numerical analysis of three dimensional optical electro-magnetic field in a circular-truncated conical optical fiber covered by asymmetric MIM structure has been performed by a commercial finite element method package, COMSOL Multiphysics coupled with Wave Optics Module. The outermost thick metallic layer has twin nano-hole, and the waveguiding twin-hole could draw surface plasmon polaritions (SPPs) excited in the MIM structure to the surface. Finally the guided two SPPs could unite each other and may create a single bright spot. The systematic simulation is continuing, and the results will give us valuable counsel for control of surface plasmon polaritons (SPPs) appearing around the MIM structure and twin nano-hole. (1) Optimal design of the 3D FEM model for 8-core Xeon server and rational approach for the FEM analysis, (2) behavior of SPPs affected by wavelength and polarization of light travel through fiber, (3) change in excitation condition of SPPs caused by shape of the MIM structure and twin-hole, (4) effectiveness of additional nanostructures that are aimed at focusing control of two SPPs come out from the corners of twin-hole, (5) scanning ability of the MIM/twin-hole probe at nanostructured sample surface (i.e. amount of forward and backward scattering of SPPs) will be presented and discussed. Several FIBed prototypes and their characteristic of light emission will also reported.

Monitoring of surface-fatigue crack propagation in a welded steel angle structure using guided waves and principal component analysis

NASA Astrophysics Data System (ADS)

Lu, Mingyu; Qu, Yongwei; Lu, Ye; Ye, Lin; Zhou, Limin; Su, Zhongqing

2012-04-01

An experimental study is reported in this paper demonstrating monitoring of surface-fatigue crack propagation in a welded steel angle structure using Lamb waves generated by an active piezoceramic transducer (PZT) network which was freely surface-mounted for each PZT transducer to serve as either actuator or sensor. The fatigue crack was initiated and propagated in welding zone of a steel angle structure by three-point bending fatigue tests. Instead of directly comparing changes between a series of specific signal segments such as S0 and A0 wave modes scattered from fatigue crack tips, a variety of signal statistical parameters representing five different structural status obtained from marginal spectrum in Hilbert-huang transform (HHT), indicating energy progressive distribution along time period in the frequency domain including all wave modes of one wave signal were employed to classify and distinguish different structural conditions due to fatigue crack initiation and propagation with the combination of using principal component analysis (PCA). Results show that PCA based on marginal spectrum is effective and sensitive for monitoring the growth of fatigue crack although the received signals are extremely complicated due to wave scattered from weld, multi-boundaries, notch and fatigue crack. More importantly, this method indicates good potential for identification of integrity status of complicated structures which cause uncertain wave patterns and ambiguous sensor network arrangement.

Modeling the atomistic growth behavior of gold nanoparticles in solution

NASA Astrophysics Data System (ADS)

Turner, C. Heath; Lei, Yu; Bao, Yuping

2016-04-01

The properties of gold nanoparticles strongly depend on their three-dimensional atomic structure, leading to an increased emphasis on controlling and predicting nanoparticle structural evolution during the synthesis process. In order to provide this atomistic-level insight and establish a link to the experimentally-observed growth behavior, a kinetic Monte Carlo simulation (KMC) approach is developed for capturing Au nanoparticle growth characteristics. The advantage of this approach is that, compared to traditional molecular dynamics simulations, the atomistic nanoparticle structural evolution can be tracked on time scales that approach the actual experiments. This has enabled several different comparisons against experimental benchmarks, and it has helped transition the KMC simulations from a hypothetical toy model into a more experimentally-relevant test-bed. The model is initially parameterized by performing a series of automated comparisons of Au nanoparticle growth curves versus the experimental observations, and then the refined model allows for detailed structural analysis of the nanoparticle growth behavior. Although the Au nanoparticles are roughly spherical, the maximum/minimum dimensions deviate from the average by approximately 12.5%, which is consistent with the corresponding experiments. Also, a surface texture analysis highlights the changes in the surface structure as a function of time. While the nanoparticles show similar surface structures throughout the growth process, there can be some significant differences during the initial growth at different synthesis conditions.

Growth Twinning and Generation of High-Frequency Surface Nanostructures in Ultrafast Laser-Induced Transient Melting and Resolidification.

PubMed

Sedao, Xxx; Shugaev, Maxim V; Wu, Chengping; Douillard, Thierry; Esnouf, Claude; Maurice, Claire; Reynaud, Stéphanie; Pigeon, Florent; Garrelie, Florence; Zhigilei, Leonid V; Colombier, Jean-Philippe

2016-07-26

The structural changes generated in surface regions of single crystal Ni targets by femtosecond laser irradiation are investigated experimentally and computationally for laser fluences that, in the multipulse irradiation regime, produce sub-100 nm high spatial frequency surface structures. Detailed experimental characterization of the irradiated targets combining electron back scattered diffraction analysis with high-resolution transmission electron microscopy reveals the presence of multiple nanoscale twinned domains in the irradiated surface regions of single crystal targets with (111) surface orientation. Atomistic- and continuum-level simulations performed for experimental irradiation conditions reproduce the generation of twinned domains and establish the conditions leading to the formation of growth twin boundaries in the course of the fast transient melting and epitaxial regrowth of the surface regions of the irradiated targets. The observation of growth twins in the irradiated Ni(111) targets provides strong evidence of the role of surface melting and resolidification in the formation of high spatial frequency surface structures. This also suggests that the formation of twinned domains can be used as a sensitive measure of the levels of liquid undercooling achieved in short pulse laser processing of metals.

Surface-structure sensitivity of CeO 2 nanocrystals in photocatalysis and enhancing the reactivity with nanogold

DOE PAGES

Lei, Wanying; Zhang, Tingting; Gu, Lin; ...

2015-06-19

Structure–function correlations are a central theme in heterogeneous (photo)catalysis. In this research, using aberration-corrected scanning transmission electron microscopy (STEM), the atomic surface structures of well-defined one-dimensional (1D) CeO 2 nanorods (NRs) and 3D nanocubes (NCs) are directly visualized at subangstrom resolution. CeO 2 NCs predominantly expose the {100} facet, with {110} and {111} as minor cutoff facets at the respective edges and corners. Notably, the outermost surface layer of the {100} facet is nearly O-terminated. Neither surface relaxations nor reconstructions on {100} are observed, indicating unusual polarity compensation, which is primarily mediated by near-surface oxygen vacancies. The surface of CeOmore » 2 NRs is highly stepped, with the enclosed {110} facet exposing Ce cations and O anions on terraces. On the basis of STEM profile-view imaging and electronic structure analysis, the photoreactivity of CeO2 nanocrystals toward aqueous methyl orange degradation under UV is revealed to be surface-structure-sensitive, following the order: {110} >> {100}. The underlying surface-structure sensitivity can be attributed to the variation in low-coordinate surface cerium cations between {110} and {100} facets. To further enhance light absorption, Au nanoparticles (NPs) are deposited on CeO 2 NRs to form Au/CeO 2 plasmonic nanocomposites, which dramatically promotes the photoreactivity that is Au particle size- and excitation light wavelength-dependent. The mechanisms responsible for the enhancement of photocatalytic activity are discussed, highlighting the crucial role of photoexcited charge carrier transfer.« less

A kinetic model for the characteristic surface morphologies of thin films by directional vapor deposition

NASA Astrophysics Data System (ADS)

Li, Kun-Dar; Huang, Po-Yu

2017-12-01

In order to simulate a process of directional vapor deposition, in this study, a numerical approach was applied to model the growth and evolution of surface morphologies for the crystallographic structures of thin films. The critical factors affecting the surface morphologies in a deposition process, such as the crystallographic symmetry, anisotropic interfacial energy, shadowing effect, and deposition rate, were all enclosed in the theoretical model. By altering the parameters of crystallographic symmetry in the structures, the faceted nano-columns with rectangular and hexagonal shapes were established in the simulation results. Furthermore, for revealing the influences of the anisotropic strength and the deposition rate theoretically on the crystallographic structure formations, various parameters adjusted in the numerical calculations were also investigated. Not only the morphologies but also the surface roughnesses for different processing conditions were distinctly demonstrated with the quantitative analysis of the simulations.

In Situ Guided Wave Structural Health Monitoring System

NASA Technical Reports Server (NTRS)

Zhao, George; Tittmann, Bernhard R.

2011-01-01

Aircraft engine rotating equipment operates at high temperatures and stresses. Noninvasive inspection of microcracks in those components poses a challenge for nondestructive evaluation. A low-cost, low-profile, high-temperature ultrasonic guided wave sensor was developed that detects cracks in situ. The transducer design provides nondestructive evaluation of structures and materials. A key feature of the sensor is that it withstands high temperatures and excites strong surface wave energy to inspect surface and subsurface cracks. The sol-gel bismuth titanate-based surface acoustic wave (SAW) sensor can generate efficient SAWs for crack inspection. The sensor is very thin (submillimeter) and can generate surface waves up to 540 C. Finite element analysis of the SAW transducer design was performed to predict the sensor behavior, and experimental studies confirmed the results. The sensor can be implemented on structures of various shapes. With a spray-coating process, the sensor can be applied to the surface of large curvatures. It has minimal effect on airflow or rotating equipment imbalance, and provides good sensitivity.

Task Analysis - Aircraft Structural Maintenance AFSC 458X2

DTIC Science & Technology

1989-08-01

GAGES OR METERS 13 10 23 SELECT WEIGHT MEASURING SCALES 15 6 21 RECALL TYPES, PROPERTIES, AND CHARACTERISTICS 8 11 19 OF PLASTICS SELECT COMMON...SURFACES (K0494) 121 00480 SHOT PEEN METAL SURFACES (K0498) 123 00490 BALANCE AIRCRAFT CONTROL SURFACES 125 00500 CLEAN PLASTICS (0275) 127 00510...STORE TRANSPARENT PLASTICS IN PROPER ENVIRONMENT (J0299) 128 00520 POLISH OUT SURFACE SCRATCHES 129 00530 CUT PLASTICS 131 00540 RESEARCH AIRCRAFT

Analysis of the Effect of Cooling Intensity Under Volume-Surface Hardening on Formation of Hardened Structures in Steel 20GL

NASA Astrophysics Data System (ADS)

Evseev, D. G.; Savrukhin, A. V.; Neklyudov, A. N.

2018-01-01

Computer simulation of the kinetics of thermal processes and structural and phase transformations in the wall of a bogie side frame produced from steel 20GL is performed with allowance for the differences in the cooling intensity under volume-surface hardening. The simulation is based on the developed method employing the diagram of decomposition of austenite at different cooling rates. The data obtained are used to make conclusion on the effect of the cooling intensity on propagation of martensite structure over the wall section.

5-(1-Aryl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1H-tetrazoles: Synthesis, structural characterization, Hirshfeld analysis, anti-inflammatory and anti-bacterial studies

NASA Astrophysics Data System (ADS)

Kumbar, Mahadev N.; Kamble, Ravindra R.; Dasappa, Jagadeesh Prasad; Bayannavar, Praveen K.; Khamees, Hussien Ahmed; Mahendra, M.; Joshi, Shrinivas D.; Dodamani, Suneel; Rasal, V. P.; Jalalpure, Sunil

2018-05-01

A series of novel 5-(1-aryl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1H-tetrazoles 7(h-s) were designed and synthesized. Structural characterization was done by spectral and single crystal X-ray studies. The intermolecular interactions of compound 7n were quantified and visualized using Hirshfeld surface analysis. Structures of newly synthesized compounds were docked into active site of COX-2 enzyme PDB:

Analysis of defect structure in silicon. Characterization of samples from UCP ingot 5848-13C

NASA Technical Reports Server (NTRS)

Natesh, R.; Guyer, T.; Stringfellow, G. B.

1982-01-01

Statistically significant quantitative structural imperfection measurements were made on samples from ubiquitous crystalline process (UCP) Ingot 5848 - 13 C. Important trends were noticed between the measured data, cell efficiency, and diffusion length. Grain boundary substructure appears to have an important effect on the conversion efficiency of solar cells from Semix material. Quantitative microscopy measurements give statistically significant information compared to other microanalytical techniques. A surface preparation technique to obtain proper contrast of structural defects suitable for QTM analysis was perfected.

Surface Acoustic Wave Transducer Study.

DTIC Science & Technology

1978-05-01

B. Network Analysis 48 C. Experimental Results 53 D. Conc lusions 56 VI. Analysis of SAW Propagation in Layered Structures . . . 56 A. Introduction...unLdtrect1ona~ transducer and the associated matching networks . The capacity weighted transducer consists of a layered structure in which the lower...CAPACITIVELY WEIGHTED TRANSDUCERS A. Introduction The capacitive tap weight network transducer (CNN) has been pre- .5 sented in the interim as an

Synthesis, structural characterization, Hirshfeld surface analysis and spectroscopic studies of cadmium (II) chloride complex with 4-hydroxy-1-methylpiperidine

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

Soudani, S.; Ferretti, V.; Jelsch, C.

The chemical preparation, crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the novel cadmium (II) 4-hydroxy-1-methylpiperidine complex, Cd{sub 4}Cl{sub 10}(C{sub 6}H{sub 14}NO){sub 2}·2H{sub 2}O, have been reported. The atomic arrangement can be described as built up by an anionic framework, formed by edge sharing CdCl{sub 6} and CdCl{sub 5}O octahedral linear chains spreading along the a-axis. These chains are interconnected by water molecules via O–H⋯Cl and O–H⋯O hydrogen bonds to form layers parallel to (011) plane. The organic cations are inserted between layers through C–H⋯Cl hydrogen bonds. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analysis revealsmore » that the H{sub C}⋯Cl and H{sub C}⋯H{sub C} intermolecular interactions are the most abundant contacts of the organic cation in the crystal packing. The statistical analysis of crystal contacts reveals the driving forces in the packing formation. The {sup 13}C and {sup 15}N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks and of the IR bands.« less

Cell behavior related to implant surfaces with different microstructure and chemical composition: an in vitro analysis.

PubMed

Conserva, Enrico; Lanuti, Anna; Menini, Maria

2010-01-01

This paper reports on an in vitro comparison of osteoblast and mesenchymal stem cell (MSC) adhesion, proliferation, and differentiation related to two different surface treatments applied to the same implant design to determine whether the interaction between cells and implants is influenced by surface structure and chemical composition of the implants. Thirty-nine implants with a sandblasted (SB) surface and 39 implants with a grit-blasted and high-temperature acid-etched (GBAE) surface were used. The implant macrostructures and microstructures were analyzed by high- and low-voltage scanning electron microscopy (SEM) and by stereo-SEM. The surface chemical composition was investigated by energy dispersive analysis and x-ray photoemission spectroscopy. SaOS-2 osteoblasts and human MSCs were used for the evaluation of cell proliferation and alkaline phosphatase enzymatic activity in contact with the two surfaces. The GBAE surface showed fewer contaminants and a very high percentage of titanium (19.7%) compared to the SB surface (14.2%). The two surfaces showed similar mean roughness (Ra), but the depth (Rz) and density (RSm) of the porosity were significantly increased in the GBAE surface. The GBAE surface presented more osteoblast and MSC proliferation than the SB surface. No statistically significant differences in alkaline phosphatase activity were found between surfaces for either cellular line. The GBAE surface showed less surface contaminants and a higher percentage of titanium (19.7%) than the SB surface. The macro/micropore structured design and chemical composition of the GBAE surface allowed greater cell adhesion and proliferation and an earlier cell spreading but did not play an obvious role in in vitro cellular differentiation.

Analysis of complex elastic structures by a Rayleigh-Ritz component modes method using Lagrange multipliers. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Klein, L. R.

1974-01-01

The free vibrations of elastic structures of arbitrary complexity were analyzed in terms of their component modes. The method was based upon the use of the normal unconstrained modes of the components in a Rayleigh-Ritz analysis. The continuity conditions were enforced by means of Lagrange Multipliers. Examples of the structures considered are: (1) beams with nonuniform properties; (2) airplane structures with high or low aspect ratio lifting surface components; (3) the oblique wing airplane; and (4) plate structures. The method was also applied to the analysis of modal damping of linear elastic structures. Convergence of the method versus the number of modes per component and/or the number of components is discussed and compared to more conventional approaches, ad-hoc methods, and experimental results.

The Urban Heat Island Impact in Consideration of Spatial Pattern of Urban Landscape and Structure

NASA Astrophysics Data System (ADS)

Kim, J.; Lee, D. K.; Jeong, W.; Sung, S.; Park, J.

2015-12-01

Preceding study has established a clear relationship between land surface temperature and area of land covers. However, only few studies have specifically examined the effects of spatial patterns of land covers and urban structure. To examine how much the local climate is affected by the spatial pattern in highly urbanized city, we investigated the correlation between land surface temperature and spatial patterns of land covers. In the analysis of correlation, we categorized urban structure to four different land uses: Apartment residential area, low rise residential area, industrial area and central business district. Through this study, we aims to examine the types of residential structure and land cover pattern for reducing urban heat island and sustainable development. Based on land surface temperature, we investigated the phenomenon of urban heat island through using the data of remote sensing. This study focused on Daegu in Korea. This city, one of the hottest city in Korea has basin form. We used high-resolution land cover data and land surface temperature by using Landsat8 satellite image to examine 100 randomly selected sample sites of 884.15km2 (1)In each land use, we quantified several landscape-levels and class-level landscape metrics for the sample study sites. (2)In addition, we measured the land surface temperature in 3 year hot summer seasons (July to September). Then, we investigated the pattern of land surface temperature for each land use through Ecognition package. (3)We deducted the Pearson correlation coefficients between land surface temperature and each landscape metrics. (4)We analyzed the variance among the four land uses. (5)Using linear regression, we determined land surface temperature model for each land use. (6)Through this analysis, we aims to examine the best pattern of land cover and artificial structure for reducing urban heat island effect in highly urbanized city. The results of linear regression showed that proportional land cover of grass, tree, water and impervious surfaces well explained the temperature in apartment residential areas. In contrast, the changes in the pattern of water, grass, tree and impervious surfaces were the best to determine the temperature in low rise residential area, central business district and industrial area.

Analytical and Photogrammetric Characterization of a Planar Tetrahedral Truss

NASA Technical Reports Server (NTRS)

Wu, K. Chauncey; Adams, Richard R.; Rhodes, Marvin D.

1990-01-01

Future space science missions are likely to require near-optical quality reflectors which are supported by a stiff truss structure. This support truss should conform closely with its intended shape to minimize its contribution to the overall surface error of the reflector. The current investigation was conducted to evaluate the planar surface accuracy of a regular tetrahedral truss structure by comparing the results of predicted and measured node locations. The truss is a 2-ring hexagonal structure composed of 102 equal-length truss members. Each truss member is nominally 2 meters in length between node centers and is comprised of a graphite/epoxy tube with aluminum nodes and joints. The axial stiffness and the length variation of the truss components were determined experimentally and incorporated into a static finite element analysis of the truss. From this analysis, the root mean square (RMS) surface error of the truss was predicted to be 0.11 mm (0004 in). Photogrammetry tests were performed on the assembled truss to measure the normal displacements of the upper surface nodes and to determine if the truss would maintain its intended shape when subjected to repeated assembly. Considering the variation in the truss component lengths, the measures rms error of 0.14 mm (0.006 in) in the assembled truss is relatively small. The test results also indicate that a repeatable truss surface is achievable. Several potential sources of error were identified and discussed.

Further Investigations of High Temperature Knitted Spring Tubes for Advanced Control Surface Seal Applications

NASA Technical Reports Server (NTRS)

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

2006-01-01

Knitted metallic spring tubes are the structural backbones that provide resiliency in control surface seals for use on current and future reusable space launch vehicles. Control surface seals fill the space between movable control surfaces such as body flaps, rudders and elevons, and the static body structures to which they are attached. These seals must remain in continuous contact with opposing surfaces to prevent the ingestion of damaging hot gases encountered during atmospheric re-entry. The Inconel X-750 (Special Metals Corporation) spring tube utilized in the baseline control surface seal shows significant resiliency loss when compressed at temperatures as low as 1200 F. High temperature compression testing and microstructural analysis show that creep is the dominant deformation mechanism leading to permanent set and resiliency loss in tested spring tube samples. Additional evaluation using a structured design of experiments approach shows that spring tube performance, primarily high temperature resiliency, can be enhanced through material substitution of Rene 41 (Allvac) alloy (for the baseline Inconel X-750 material) when coupled with specialized thermal processing.

Trend-surface analysis of morphometric parameters: A case study in southeastern Brazil

NASA Astrophysics Data System (ADS)

Grohmann, Carlos Henrique

2005-10-01

Trend-surface analysis was carried out on data from morphometric parameters isobase and hydraulic gradient. The study area, located in the eastern border of Quadrilátero Ferrífero, southeastern Brazil, presents four main geomorphological units, one characterized by fluvial dissection, two of mountainous relief, with a scarp of hundreds of meters of fall between them, and a flat plateau in the central portion of the fluvially dissected terrains. Morphometric maps were evaluated in GRASS-GIS and statistics were made on R statistical language, using the spatial package. Analysis of variance (ANOVA) was made to test the significance of each surface and the significance of increasing polynomial degree. The best results were achieved with sixth-order surface for isobase and second-order surface for hydraulic gradient. Shape and orientation of residual maps contours for selected trends were compared with structures inferred from several morphometric maps, and a good correlation is present.

Generating Atomistic Slab Surfaces with Adsorbates

DTIC Science & Technology

2017-12-01

OTHER DEALINGS IN THE SOFTWARE. from six.moves import range import os import sys import math import copy import numpy as np from...import StructureMatcher from math import acos from mpinterfaces.utils import align_axis, add_vacuum from pymatgen.analysis.structure_matcher import

Atomistic Method Applied to Computational Modeling of Surface Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo H.; Abel, Phillip B.

2000-01-01

The formation of surface alloys is a growing research field that, in terms of the surface structure of multicomponent systems, defines the frontier both for experimental and theoretical techniques. Because of the impact that the formation of surface alloys has on surface properties, researchers need reliable methods to predict new surface alloys and to help interpret unknown structures. The structure of surface alloys and when, and even if, they form are largely unpredictable from the known properties of the participating elements. No unified theory or model to date can infer surface alloy structures from the constituents properties or their bulk alloy characteristics. In spite of these severe limitations, a growing catalogue of such systems has been developed during the last decade, and only recently are global theories being advanced to fully understand the phenomenon. None of the methods used in other areas of surface science can properly model even the already known cases. Aware of these limitations, the Computational Materials Group at the NASA Glenn Research Center at Lewis Field has developed a useful, computationally economical, and physically sound methodology to enable the systematic study of surface alloy formation in metals. This tool has been tested successfully on several known systems for which hard experimental evidence exists and has been used to predict ternary surface alloy formation (results to be published: Garces, J.E.; Bozzolo, G.; and Mosca, H.: Atomistic Modeling of Pd/Cu(100) Surface Alloy Formation. Surf. Sci., 2000 (in press); Mosca, H.; Garces J.E.; and Bozzolo, G.: Surface Ternary Alloys of (Cu,Au)/Ni(110). (Accepted for publication in Surf. Sci., 2000.); and Garces, J.E.; Bozzolo, G.; Mosca, H.; and Abel, P.: A New Approach for Atomistic Modeling of Pd/Cu(110) Surface Alloy Formation. (Submitted to Appl. Surf. Sci.)). Ternary alloy formation is a field yet to be fully explored experimentally. The computational tool, which is based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of the energetics, consists of a small number of simple PCbased computer codes that deal with the different aspects of surface alloy formation. Two analysis modes are available within this package. The first mode provides an atom-by-atom description of real and virtual stages 1. during the process of surface alloying, based on the construction of catalogues of configurations where each configuration describes one possible atomic distribution. BFS analysis of this catalogue provides information on accessible states, possible ordering patterns, and details of island formation or film growth. More importantly, it provides insight into the evolution of the system. Software developed by the Computational Materials Group allows for the study of an arbitrary number of elements forming surface alloys, including an arbitrary number of surface atomic layers. The second mode involves large-scale temperature-dependent computer 2. simulations that use the BFS method for the energetics and provide information on the dynamic processes during surface alloying. These simulations require the implementation of Monte-Carlo-based codes with high efficiency within current workstation environments. This methodology capitalizes on the advantages of the BFS method: there are no restrictions on the number or type of elements or on the type of crystallographic structure considered. This removes any restrictions in the definition of the configuration catalogues used in the analytical calculations, thus allowing for the study of arbitrary ordering patterns, ultimately leading to the actual surface alloy structure. Moreover, the Monte Carlo numerical technique used for the large-scale simulations allows for a detailed visualization of the simulated process, the main advantage of this type of analysis being the ability to understand the underlying features that drive these processes. Because of the simplicity of the BFS method for e energetics used in these calculations, a detailed atom-by-atom analysis can be performed at any point in the simulation, providing necessary insight on the details of the process. The main objective of this research program is to develop a tool to guide experimenters in understanding and interpreting often unexpected results in alloy formation experiments. By reducing the computational effort without losing physical accuracy, we expect that powerful simulation tools will be developed in the immediate future, which will allow material scientists to easily visualize and analyze processes at a level not achievable experimentally.

Panel acoustic contribution analysis.

PubMed

Wu, Sean F; Natarajan, Logesh Kumar

2013-02-01

Formulations are derived to analyze the relative panel acoustic contributions of a vibrating structure. The essence of this analysis is to correlate the acoustic power flow from each panel to the radiated acoustic pressure at any field point. The acoustic power is obtained by integrating the normal component of the surface acoustic intensity, which is the product of the surface acoustic pressure and normal surface velocity reconstructed by using the Helmholtz equation least squares based nearfield acoustical holography, over each panel. The significance of this methodology is that it enables one to analyze and rank relative acoustic contributions of individual panels of a complex vibrating structure to acoustic radiation anywhere in the field based on a single set of the acoustic pressures measured in the near field. Moreover, this approach is valid for both interior and exterior regions. Examples of using this method to analyze and rank the relative acoustic contributions of a scaled vehicle cabin are demonstrated.

The Mass Surface Density Distribution of a High-Mass Protocluster forming from an IRDC and GMC

NASA Astrophysics Data System (ADS)

Lim, Wanggi; Tan, Jonathan C.; Kainulainen, Jouni; Ma, Bo; Butler, Michael

2016-01-01

We study the probability distribution function (PDF) of mass surface densities of infrared dark cloud (IRDC) G028.36+00.07 and its surrounding giant molecular cloud (GMC). Such PDF analysis has the potential to probe the physical processes that are controlling cloud structure and star formation activity. The chosen IRDC is of particular interest since it has almost 100,000 solar masses within a radius of 8 parsecs, making it one of the most massive, dense molecular structures known and is thus a potential site for the formation of a high-mass, "super star cluster". We study mass surface densities in two ways. First, we use a combination of NIR, MIR and FIR extinction maps that are able to probe the bulk of the cloud structure that is not yet forming stars. This analysis also shows evidence for flattening of the IR extinction law as mass surface density increases, consistent with increasing grain size and/or growth of ice mantles. Second, we study the FIR and sub-mm dust continuum emission from the cloud, especially utlizing Herschel PACS and SPIRE images. We first subtract off the contribution of the foreground diffuse emission that contaminates these images. Next we examine the effects of background subtraction and choice of dust opacities on the derived mass surface density PDF. The final derived PDFs from both methods are compared, including also with other published studies of this cloud. The implications for theoretical models and simulations of cloud structure, including the role of turbulence and magnetic fields, are discussed.

Characterization of Geologic Structures and Host Rock Properties Relevant to the Hydrogeology of the Standard Mine in Elk Basin, Gunnison County, Colorado

USGS Publications Warehouse

Caine, Jonathan S.; Manning, Andrew H.; Berger, Byron R.; Kremer, Yannick; Guzman, Mario A.; Eberl, Dennis D.; Schuller, Kathryn

2010-01-01

The Standard Mine Superfund Site is a source of mine drainage and associated heavy metal contamination of surface and groundwaters. The site contains Tertiary polymetallic quartz veins and fault zones that host precious and base metal sulfide mineralization common in Colorado. To assist the U.S. Environmental Protection Agency in its effort to remediate mine-related contamination, we characterized geologic structures, host rocks, and their potential hydraulic properties to better understand the sources of contaminants and the local hydrogeology. Real time kinematic and handheld global positioning systems were used to locate and map precisely the geometry of the surface traces of structures and mine-related features, such as portals. New reconnaissance geologic mapping, field and x-ray diffraction mineralogy, rock sample collection, thin-section analysis, and elemental geochemical analysis were completed to characterize hydrothermal alteration, mineralization, and subsequent leaching of metallic phases. Surface and subsurface observations, fault vein and fracture network characterization, borehole geophysical logging, and mercury injection capillary entry pressure data were used to document potential controls on the hydrologic system.

Bioturbating shrimp alter the structure and diversity of bacterial communities in coastal marine sediments.

PubMed

Laverock, Bonnie; Smith, Cindy J; Tait, Karen; Osborn, A Mark; Widdicombe, Steve; Gilbert, Jack A

2010-12-01

Bioturbation is a key process in coastal sediments, influencing microbially driven cycling of nutrients as well as the physical characteristics of the sediment. However, little is known about the distribution, diversity and function of the microbial communities that inhabit the burrows of infaunal macroorganisms. In this study, terminal-restriction fragment length polymorphism analysis was used to investigate variation in the structure of bacterial communities in sediment bioturbated by the burrowing shrimp Upogebia deltaura or Callianassa subterranea. Analyses of 229 sediment samples revealed significant differences between bacterial communities inhabiting shrimp burrows and those inhabiting ambient surface and subsurface sediments. Bacterial communities in burrows from both shrimp species were more similar to those in surface-ambient than subsurface-ambient sediment (R=0.258, P<0.001). The presence of shrimp was also associated with changes in bacterial community structure in surrounding surface sediment, when compared with sediments uninhabited by shrimp. Bacterial community structure varied with burrow depth, and also between individual burrows, suggesting that the shrimp's burrow construction, irrigation and maintenance behaviour affect the distribution of bacteria within shrimp burrows. Subsequent sequence analysis of bacterial 16S rRNA genes from surface sediments revealed differences in the relative abundance of bacterial taxa between shrimp-inhabited and uninhabited sediments; shrimp-inhabited sediment contained a higher proportion of proteobacterial sequences, including in particular a twofold increase in Gammaproteobacteria. Chao1 and ACE diversity estimates showed that taxon richness within surface bacterial communities in shrimp-inhabited sediment was at least threefold higher than that in uninhabited sediment. This study shows that bioturbation can result in significant structural and compositional changes in sediment bacterial communities, increasing bacterial diversity in surface sediments and resulting in distinct bacterial communities even at depth within the burrow. In an area of high macrofaunal abundance, this could lead to alterations in the microbial transformations of important nutrients at the sediment-water interface.

Autonomous molecular cascades for evaluation of cell surfaces

NASA Astrophysics Data System (ADS)

Rudchenko, Maria; Taylor, Steven; Pallavi, Payal; Dechkovskaia, Alesia; Khan, Safana; Butler, Vincent P., Jr.; Rudchenko, Sergei; Stojanovic, Milan N.

2013-08-01

Molecular automata are mixtures of molecules that undergo precisely defined structural changes in response to sequential interactions with inputs. Previously studied nucleic acid-based automata include game-playing molecular devices (MAYA automata) and finite-state automata for the analysis of nucleic acids, with the latter inspiring circuits for the analysis of RNA species inside cells. Here, we describe automata based on strand-displacement cascades directed by antibodies that can analyse cells by using their surface markers as inputs. The final output of a molecular automaton that successfully completes its analysis is the presence of a unique molecular tag on the cell surface of a specific subpopulation of lymphocytes within human blood cells.

The use of interpractive graphic displays for interpretation of surface design parameters

NASA Technical Reports Server (NTRS)

Talcott, N. A., Jr.

1981-01-01

An interactive computer graphics technique known as the Graphic Display Data method has been developed to provide a convenient means for rapidly interpreting large amounts of surface design data. The display technique should prove valuable in such disciplines as aerodynamic analysis, structural analysis, and experimental data analysis. To demonstrate the system's features, an example is presented of the Graphic Data Display method used as an interpretive tool for radiation equilibrium temperature distributions over the surface of an aerodynamic vehicle. Color graphic displays were also examined as a logical extension of the technique to improve its clarity and to allow the presentation of greater detail in a single display.

Estimating the relationship between urban 3D morphology and land surface temperature using airborne LiDAR and Landsat-8 Thermal Infrared Sensor data

NASA Astrophysics Data System (ADS)

Lee, J. H.

2015-12-01

Urban forests are known for mitigating the urban heat island effect and heat-related health issues by reducing air and surface temperature. Beyond the amount of the canopy area, however, little is known what kind of spatial patterns and structures of urban forests best contributes to reducing temperatures and mitigating the urban heat effects. Previous studies attempted to find the relationship between the land surface temperature and various indicators of vegetation abundance using remote sensed data but the majority of those studies relied on two dimensional area based metrics, such as tree canopy cover, impervious surface area, and Normalized Differential Vegetation Index, etc. This study investigates the relationship between the three-dimensional spatial structure of urban forests and urban surface temperature focusing on vertical variance. We use a Landsat-8 Thermal Infrared Sensor image (acquired on July 24, 2014) to estimate the land surface temperature of the City of Sacramento, CA. We extract the height and volume of urban features (both vegetation and non-vegetation) using airborne LiDAR (Light Detection and Ranging) and high spatial resolution aerial imagery. Using regression analysis, we apply empirical approach to find the relationship between the land surface temperature and different sets of variables, which describe spatial patterns and structures of various urban features including trees. Our analysis demonstrates that incorporating vertical variance parameters improve the accuracy of the model. The results of the study suggest urban tree planting is an effective and viable solution to mitigate urban heat by increasing the variance of urban surface as well as evaporative cooling effect.

Study of advanced composite structural design concepts for an arrow wing supersonic cruise configuration, task 3

NASA Technical Reports Server (NTRS)

1978-01-01

A structural design study was conducted to assess the relative merits of structural concepts using advanced composite materials for an advanced supersonic aircraft cruising at Mach 2.7. The configuration and structural arrangement developed during Task I and II of the study, was used as the baseline configuration. Allowable stresses and strains were established for boron and advanced graphite fibers based on projected fiber properties available in the next decade. Structural concepts were designed and analyzed using graphite polyimide and boron polyimide, applied to stiffened panels and conventional sandwich panels. The conventional sandwich panels were selected as the structural concept to be used on the wing structure. The upper and lower surface panels of the Task I arrow wing were redesigned using high-strength graphite polyimide sandwich panels over the titanium spars and ribs. The ATLAS computer system was used as the basis for stress analysis and resizing the surface panels using the loads from the Task II study, without adjustment for change in aeroelastic deformation. The flutter analysis indicated a decrease in the flutter speed compared to the baseline titanium wing design. The flutter analysis indicated a decrease in the flutter speed compared to the baseline titanium wing design. The flutter speed was increased to that of the titanium wing, with a weight penalty less than that of the metallic airplane.

Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

NASA Astrophysics Data System (ADS)

Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

2013-01-01

In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

Active screen cage pulsed dc discharge for implanting copper in polytetrafluoroethylene (PTFE)

NASA Astrophysics Data System (ADS)

Zaka-ul-Islam, Mujahid; Naeem, Muhammad; Shafiq, Muhammad; Sitara; Jabbar Al-Rajab, Abdul; Zakaullah, Muhammad

2017-07-01

Polymers such as polytetrafluoroethylene (PTFE) are widely used in artificial organs where long-term anti-bacterial properties are required to avoid bacterial proliferation. Copper or silver ion implantation on the polymer surface is known as a viable method to generate long-term anti-bacterial properties. Here, we have tested pulsed DC plasma with copper cathodic cage for the PTFE surface treatment. The surface analysis of the treated specimens suggests that the surface, structural properties, crystallinity and chemical structure of the PTFE have been changed, after the plasma treatment. The copper release tests show that copper ions are released from the polymer at a slow rate and quantity of the released copper increases with the plasma treatment time.

First principles investigation of heterogeneous catalysis on metal oxide surfaces

NASA Astrophysics Data System (ADS)

Ghoussoub, Mireille

Metal oxides possess unique electronic and structural properties that render them highly favourable for applications in heterogeneous catalysis. In this study, computational atomistic modelling based on Density Functional Theory was used to investigate the reduction of carbon dioxide over hydroxylated indium oxide nanoparticles, as well at the activation of methane over oxygen-covered bimetallic surfaces. The first study employed metadynamics-biased ab initio molecular dynamics to obtain the free energy surface of the various reaction steps at finite temperature. In the second study, the nudged elastic band method was used to probe the C-H activation mechanisms for different surface configurations. In both cases, activation energies, reaction energies, transition state structures, and charge analysis results are used to explain the underlying mechanistic pathways.

Quantifying Residual Stresses by Means of Thermoelastic Stress Analysis

NASA Technical Reports Server (NTRS)

Gyekenyesi, Andrew L.; Baaklini, George Y.

2001-01-01

This study focused on the application of the Thermoelastic Stress Analysis (TSA) technique as a tool for assessing the residual stress state of structures. TSA is based on the fact that materials experience small temperature changes when compressed or expanded. When a structure is cyclically loaded, a surface temperature profile results which correlates to the surface stresses. The cyclic surface temperature is measured with an infrared camera. Traditionally, the amplitude of a TSA signal was theoretically defined to be linearly dependent on the cyclic stress amplitude. Recent studies have established that the temperature response is also dependent on the cyclic mean stress (i.e., the static stress state of the structure). In a previous study by the authors, it was shown that mean stresses significantly influenced the TSA results for titanium- and nickel-based alloys. This study continued the effort of accurate direct measurements of the mean stress effect by implementing various experimental modifications. In addition, a more in-depth analysis was conducted which involved analyzing the second harmonic of the temperature response. By obtaining the amplitudes of the first and second harmonics, the stress amplitude and the mean stress at a given point on a structure subjected to a cyclic load can be simultaneously obtained. The experimental results showed good agreement with the theoretical predictions for both the first and second harmonics of the temperature response. As a result, confidence was achieved concerning the ability to simultaneously obtain values for the static stress state as well as the cyclic stress amplitude of structures subjected to cyclic loads using the TSA technique. With continued research, it is now feasible to establish a protocol that would enable the monitoring of residual stresses in structures utilizing TSA.

Advances in single-molecule magnet surface patterning through microcontact printing.

PubMed

Mannini, Matteo; Bonacchi, Daniele; Zobbi, Laura; Piras, Federica M; Speets, Emiel A; Caneschi, Andrea; Cornia, Andrea; Magnani, Agnese; Ravoo, Bart Jan; Reinhoudt, David N; Sessoli, Roberta; Gatteschi, Dante

2005-07-01

We present an implementation of strategies to deposit single-molecule magnets (SMMs) using microcontact printing microCP). We describe different approaches of microCP to print stripes of a sulfur-functionalized dodecamanganese (III, IV) cluster on gold surfaces. Comparison by atomic force microscopy profile analysis of the patterned structures confirms the formation of a chemically stable single layer of SMMs. Images based on chemical contrast, obtained by time-of-flight secondary ion mass spectrometry, confirm the patterned structure.

Minimizing distortion and internal forces in truss structures by simulated annealing

NASA Technical Reports Server (NTRS)

Kincaid, Rex K.; Padula, Sharon L.

1990-01-01

Inaccuracies in the length of members and the diameters of joints of large space structures may produce unacceptable levels of surface distortion and internal forces. Here, two discrete optimization problems are formulated, one to minimize surface distortion (DSQRMS) and the other to minimize internal forces (FSQRMS). Both of these problems are based on the influence matrices generated by a small-deformation linear analysis. Good solutions are obtained for DSQRMS and FSQRMS through the use of a simulated annealing heuristic.

Structure determination of the ordered (2 × 1) phase of NiSi surface alloy on Ni(111) using low-energy electron diffraction

NASA Astrophysics Data System (ADS)

Sazzadur Rahman, Md.; Amirul Islam, Md.; Saha, Bidyut Baran; Nakagawa, Takeshi; Mizuno, Seigi

2015-12-01

The (2 × 1) structure of the two-dimensional nickel silicide surface alloy on Ni(111) was investigated using quantitative low-energy electron diffraction analysis. The unit cell of the determined silicide structure contains one Si and one Ni atom, corresponding to a chemical formula of NiSi. The Si atoms adopt substitutional face-centered cubic hollow sites on the Ni(111) substrate. The Ni-Si bond lengths were determined to be 2.37 and 2.34 Å. Both the alloy surface and the underlying first layers of Ni atoms exhibit slight corrugation. The Ni-Si interlayer distance is smaller than the Ni-Ni interlayer distance, which indicates that Si atoms and underlying Ni atoms strongly interact.

Copper tolerance in Frankia sp. strain EuI1c involves surface binding and copper transport.

PubMed

Rehan, Medhat; Furnholm, Teal; Finethy, Ryan H; Chu, Feixia; El-Fadly, Gomaah; Tisa, Louis S

2014-09-01

Several Frankia strains have been shown to be copper-tolerant. The mechanism of their copper tolerance was investigated for Frankia sp. strain EuI1c. Copper binding was shown by binding studies. Unusual globular structures were observed on the surface of the bacterium. These globular structures were composed of aggregates containing many relatively smaller "leaf-like" structures. Scanning electron microscopy with energy-dispersive X-ray (SEM-EDAX) analysis of these structures indicated elevated copper and phosphate levels compared to the control cells. Fourier transform infrared spectroscopy (FTIR) analysis indicated an increase in extracellular phosphate on the cell surface of copper-stressed cells. Bioinformatics' analysis of the Frankia sp. strain EuI1c genome revealed five potential cop genes: copA, copZ, copC, copCD, and copD. Experiments with Frankia sp. strain EuI1c using qRT-PCR indicated an increase in messenger RNA (mRNA) levels of the five cop genes upon Cu(2+) stress. After 5 days of Cu(2+) stress, the copA, copZ, copC, copCD, and copD mRNA levels increased 25-, 8-, 18-, 18-, and 25-fold, respectively. The protein profile of Cu(2+)-stressed Frankia sp. strain EuI1c cells revealed the upregulation of a 36.7 kDa protein that was identified as FraEuI1c_1092 (sulfate-binding periplasmic transport protein). Homologues of this gene were only present in the genomes of the Cu(2+)-resistant Frankia strains (EuI1c, DC12, and CN3). These data indicate that copper tolerance by Frankia sp. strain EuI1c involved the binding of copper to the cell surface and transport proteins.

Modeling of induced seismicity and ground vibrations associated with geologic CO 2 storage, and assessing their effects on surface structures and human perception

DOE PAGES

Rutqvist, Jonny; Cappa, Frédéric; Rinaldi, Antonio P.; ...

2014-05-01

In this paper, we present model simulations of ground motions caused by CO 2 -injection-induced fault reactivation and analyze the results in terms of the potential for damage to ground surface structures and nuisance to the local human population. It is an integrated analysis from cause to consequence, including the whole chain of processes starting from earthquake inception in the subsurface, wave propagation toward the ground surface, and assessment of the consequences of ground vibration. For a small magnitude (M w =3) event at a hypocenter depth of about 1000m, we first used the simulated ground-motion wave train in anmore » inverse analysis to estimate source parameters (moment magnitude, rupture dimensions and stress drop), achieving good agreement and thereby verifying the modeling of the chain of processes from earthquake inception to ground vibration. We then analyzed the ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV) and frequency content, with comparison to U.S. Geological Survey's instrumental intensity scales for earthquakes and the U.S. Bureau of Mines' vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. Our results confirm the appropriateness of using PGV (rather than PGA) and frequency for the evaluation of potential ground-vibration effects on structures and humans from shallow injection-induced seismic events. For the considered synthetic M w =3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, but would certainly be felt by the local population.« less

SFG analysis of the molecular structures at the surfaces and buried interfaces of PECVD ultralow-dielectric constant pSiCOH: Reactive ion etching and dielectric recovery

NASA Astrophysics Data System (ADS)

Myers, John N.; Zhang, Xiaoxian; Huang, Huai; Shobha, Hosadurga; Grill, Alfred; Chen, Zhan

2017-05-01

Molecular structures at the surface and buried interface of an amorphous ultralow-k pSiCOH dielectric film were quantitatively characterized before and after reactive ion etching (RIE) and subsequent dielectric repair using sum frequency generation (SFG) vibrational spectroscopy and Auger electron spectroscopy. SFG results indicated that RIE treatment of the pSiCOH film resulted in a depletion of ˜66% of the surface methyl groups and changed the orientation of surface methyl groups from ˜47° to ˜40°. After a dielectric recovery process that followed the RIE treatment, the surface molecular structure was dominated by methyl groups with an orientation of ˜55° and the methyl surface coverage at the repaired surface was 271% relative to the pristine surface. Auger depth profiling indicated that the RIE treatment altered the top ˜25 nm of the film and that the dielectric recovery treatment repaired the top ˜9 nm of the film. Both SFG and Auger profiling results indicated that the buried SiCNH/pSiCOH interface was not affected by the RIE or the dielectric recovery process. Beyond characterizing low-k materials, the developed methodology is general and can be used to distinguish and characterize different molecular structures and elemental compositions at the surface, in the bulk, and at the buried interface of many different polymer or organic thin films.

Novel method for controllable fabrication of a superhydrophobic CuO surface on AZ91D magnesium alloy.

PubMed

She, Zuxin; Li, Qing; Wang, Zhongwei; Li, Longqin; Chen, Funan; Zhou, Juncen

2012-08-01

A novel method for controllable fabrication of a superhydrophobic CuO surface on AZ91D magnesium alloy is reported in this paper. Hierarchical structure composed of micro/nano-featherlike CuO was obtained by electrodeposition of Cu-Zn alloy coating and subsequently an electrochemical anodic treatment in alkaline solution. After modification with lauric acid, the surface became hydrophobicity/superhydrophobicity. The formation of featherlike CuO structures was controllable by varying the coating composition. By applying SEM, ICP-AES, and water contact angle analysis, the effects of coating composition on the surface morphology and hydrophobicity of the as-prepared surfaces were detailedly studied. The results indicated that at the optimal condition, the surface showed a good superhydrophobicity with a water contact angle as high as 155.5 ± 1.3° and a sliding angle as low as about 3°. Possible growth mechanism of featherlike CuO hierarchical structure was discussed. Additionally, the anticorrosion effect of the superhydrophobic surface was studied by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) measurements. The interface model for anticorrosion mechanism of superhydrophobic surface in corrosive medium was proposed. Besides, the mechanical stability test indicated that the resulting superhydrophobic surfaces have good mechanical stability.

Formation mechanism of photo-induced nested wrinkles on siloxane-photomonomer hybrid film

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

Suzuki, Kazumasa; International Laboratory of Materials Science and Nanotechnology; Laboratorio di Scienz

Nested wrinkle structures, hierarchical surface wrinkles of different periodicities of sub-μm and tens-μm, have been fabricated on a siloxane-photomonomer hybrid film via a photo-induced surface polymerization of acrylamide. The formation mechanism of the nested wrinkle structures is examined based on a time-dependent structure observation and chemical composition analyses. In-situ observation of the evolving surface structure showed that sub-μm scale wrinkles first formed, subsequently the tens-μm scale ones did. In-situ FT-IR analysis indicated that the nested wrinkles formation took place along with the development of siloxane network of under layer. A cross sectional observation of the film revealed that the filmmore » was composed of three layers. FT-IR spectra of the film revealed that the surface and interior layers were polyacrylamide rich layer and siloxane-polymer rich layer, respectively. The intermediate layer formed as a diffusion layer by migration of acrylamide from interior to the surface. These three layers have different chemical compositions and therefore different mechanical characteristics, which allows the wrinkle formation. Shrinkage of siloxane-polymer interior layers, as a result of polycondensation of siloxane network, induced mechanical instabilities at interlayers, to form the nested wrinkle structures.« less

[Adsorption mechanism of furfural onto modified rice husk charcoals].

PubMed

Deng, Yong; Wang, Xianhua; Li, Yunchao; Shao, Jing'ai; Yang, Haiping; Chen, Hanping

2015-10-01

To evaluate the absorptive characteristics of furfural onto biomass charcoals derived from rice husk pyrolysis, we studied the information of the structure and surface chemistry properties of the rice husk charcoals modified by thermal treatment under nitrogen and carbon dioxide flow and adsorption mechanism of furfural. The modified samples are labeled as RH-N2 and RH-CO2. Fresh rice husk charcoal sample (RH-450) and modified samples were characterized by elemental analysis, nitrogen adsorption-desorption isotherms, Fourier-transform infrared spectroscopy and Boehm titration. The results show that fresh rice husk charcoal obtained at 450 degrees C had a large number of organic groups on its surface and poor pore structure. After the modification under nitrogen and carbon dioxide flow, oxygenic organics in rice husk charcoals decompose further, leading to the reduction of acidic functional groups on charcoals surface, and the increase of the pyrone structures of the basic groups. Meanwhile, pore structure was improved significantly and the surface area was increased, especially for the micropores. This resulted in the increase of π-π dispersion between the surfaces of rice husk charcoals and furfural molecular. With making comprehensive consideration of π-π dispersion and pore structure, the best removal efficiency of furfural was obtained by rice husk charcoal modified under carbon dioxide flow.

Study of α-Cu 0.82Al 0.18(100) using low energy ion scattering

NASA Astrophysics Data System (ADS)

Zhu, L.; Muhlen, E. Zur; O'Connor, D. J.; King, B. V.; MacDonald, R. J.

1996-07-01

The clean α-Cu 0.82Al 0.18(100) surface has been investigated using low energy ion scattering. The surface structure was found to be similar to the structure of the Cu(100) surface. By measuring the first layer concentration of Al using He + and Ne + beams and standard calibration procedure, the α-Cu 0.82Al 0.18(100) surface was found to be slightly Al-rich. Analysis of multiple scattering of ions suggests that Al atoms do not form islands. It was also found that Al atoms sit higher than the Cu atoms on the surface. By comparison with computer simulations (SABRE and FAN2D), the buckling of Al was found to be 0.16 ± 0.07 Å. No reconstructions were observed on the surface by low energy ion scattering which is in agreement with previous LEED studies.

Analysis of Surface and Bulk Behavior in Ni-Pd Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Rondald D.

2003-01-01

The most salient features of the surface structure and bulk behavior of Ni-Pd alloys have been studied using the BFS method for alloys. Large-scale atomistic simulations were performed to investigate surface segregation profiles as a function of temperature, crystal face, and composition. Pd enrichment of the first layer was observed in (111) and (100) surfaces, and enrichment of the top two layers occurred for (110) surfaces. In all cases, the segregation profile shows alternate planes enriched and depleted in Pd. In addition, the phase structure of bulk Ni-Pd alloys as a function of temperature and composition was studied. A weak ordering tendency was observed at low temperatures, which helps explain the compositional oscillations in the segregation profiles. Finally, based on atom-by-atom static energy calculations, a comprehensive explanation for the observed surface and bulk features will be presented in terms of competing chemical and strain energy effects.

User's manual for FRAC3D: Supplement to report on stress analysis for structures with surface cracks

NASA Technical Reports Server (NTRS)

Bell, J. C.; Hopper, A. T.; Hayes, P. A.

1978-01-01

The FRAC3D computer program, designed for use in analyzing stresses in structures (including plates, bars, or blocks) which may contain part-circular surface cracks or embedded circular cracks is described. Instructions are provided for preparing input, including that for the supporting programs LATTICE and MATSOL as well as for FRAC3D. The course of a substantial illustrative calculation is shown with both input and output. The formulas underlying the calculations are summarized and related to the subroutines in which they are used. Many issues of strategy in using this program for analysing stresses around surface cracks are elucidated.

Fabricated nanogap-rich plasmonic nanostructures through an optothermal surface bubble in a droplet.

PubMed

Karim, Farzia; Vasquez, Erick S; Zhao, Chenglong

2018-01-15

A rapid and cost-effective method for the fabrication of nanogap-rich structures is demonstrated in this Letter. The method utilizes the Marangoni convection around an optothermal surface bubble inside a liquid droplet with a nanoliter volume. The liquid droplet containing metallic nanoparticles reduces the sample consumption and confines the liquid flow. The optothermal surface bubble creates a strong convective flow that allows for the rapid deposition of the metallic nanoparticles to form nanogap-rich structures on any substrate under ambient conditions. This method will enable a broad range of applications such as biosensing, environmental analysis, and nonlinear optics.

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.

Sequence-Dependent Structure/Function Relationships of Catalytic Peptide-Enabled Gold Nanoparticles Generated under Ambient Synthetic Conditions

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

Bedford, Nicholas M.; Hughes, Zak E.; Tang, Zhenghua

Peptide-enabled nanoparticle (NP) synthesis routes can create and/or assemble functional nanomaterials under environmentally friendly conditions, with properties dictated by complex interactions at the biotic/abiotic interface. Manipulation of this interface through sequence modification can provide the capability for material properties to be tailored to create enhanced materials for energy, catalysis, and sensing applications. Fully realizing the potential of these materials requires a comprehensive understanding of sequence-dependent structure/function relationships that is presently lacking. In this work, the atomic-scale structures of a series of peptide-capped Au NPs are determined using a combination of atomic pair distribution function analysis of high-energy X-ray diffraction datamore » and advanced molecular dynamics (MD) simulations. The Au NPs produced with different peptide sequences exhibit varying degrees of catalytic activity for the exemplar reaction 4-nitrophenol reduction. The experimentally derived atomic-scale NP configurations reveal sequence-dependent differences in structural order at the NP surface. Replica exchange with solute-tempering MD simulations are then used to predict the morphology of the peptide overlayer on these Au NPs and identify factors determining the structure/catalytic properties relationship. We show that the amount of exposed Au surface, the underlying surface structural disorder, and the interaction strength of the peptide with the Au surface all influence catalytic performance. A simplified computational prediction of catalytic performance is developed that can potentially serve as a screening tool for future studies. Our approach provides a platform for broadening the analysis of catalytic peptide-enabled metallic NP systems, potentially allowing for the development of rational design rules for property enhancement.« less

Influence of gas-powder laser cladding’s technological parameters on structural characteristics of corrosion-resistant steels’ restored surface layer

NASA Astrophysics Data System (ADS)

Krylova, S. E.; Oplesnin, S. P.; Goltyapin, M. I.

2018-03-01

The results of the developed industrial technology for surface restoration of corrosion-resistant steels by laser surfacing are presented in the article. A comparative analysis of the microstructure of the welded wear-resistant layer, the fusion zone with the base material and the diffusion zone for different technological surfacing regimes are given. Dyrometric studies and nondestructive testing of the deposited layer for defects were performed

Hydration and Thermal Expansion in Anatase Nanoparticles

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

Zhu, He; Li, Qiang; Ren, Yang

A tunable thermal expansion is reported in nanosized anatase by taking advantage of surface hydration. The coefficient of thermal expansion of 4 nm TiO2 along a-axis is negative with a hydrated surface and is positive without a hydrated surface. High-energy synchrotron X-ray pair distribution function analysis combined with ab initio calculations on the specific hydrated surface are carried out to reveal the local structure distortion that is responsible for the unusual negative thermal expansion.

A Monte Carlo approach applied to ultrasonic non-destructive testing

NASA Astrophysics Data System (ADS)

Mosca, I.; Bilgili, F.; Meier, T.; Sigloch, K.

2012-04-01

Non-destructive testing based on ultrasound allows us to detect, characterize and size discrete flaws in geotechnical and architectural structures and materials. This information is needed to determine whether such flaws can be tolerated in future service. In typical ultrasonic experiments, only the first-arriving P-wave is interpreted, and the remainder of the recorded waveform is neglected. Our work aims at understanding surface waves, which are strong signals in the later wave train, with the ultimate goal of full waveform tomography. At present, even the structural estimation of layered media is still challenging because material properties of the samples can vary widely, and good initial models for inversion do not often exist. The aim of the present study is to combine non-destructive testing with a theoretical data analysis and hence to contribute to conservation strategies of archaeological and architectural structures. We analyze ultrasonic waveforms measured at the surface of a variety of samples, and define the behaviour of surface waves in structures of increasing complexity. The tremendous potential of ultrasonic surface waves becomes an advantage only if numerical forward modelling tools are available to describe the waveforms accurately. We compute synthetic full seismograms as well as group and phase velocities for the data. We invert them for the elastic properties of the sample via a global search of the parameter space, using the Neighbourhood Algorithm. Such a Monte Carlo approach allows us to perform a complete uncertainty and resolution analysis, but the computational cost is high and increases quickly with the number of model parameters. Therefore it is practical only for defining the seismic properties of media with a limited number of degrees of freedom, such as layered structures. We have applied this approach to both synthetic layered structures and real samples. The former contributed to benchmark the propagation of ultrasonic surface waves in typical materials tested with a non-destructive technique (e.g., marble, unweathered and weathered concrete and natural stone).

Rotational Parameters from Vibronic Eigenfunctions of Jahn-Teller Active Molecules

NASA Astrophysics Data System (ADS)

Garner, Scott M.; Miller, Terry A.

2017-06-01

The structure in rotational spectra of many free radical molecules is complicated by Jahn-Teller distortions. Understanding the magnitudes of these distortions is vital to determining the equilibrium geometric structure and details of potential energy surfaces predicted from electronic structure calculations. For example, in the recently studied {\\widetilde{A}^2E^{''} } state of the NO_3 radical, the magnitudes of distortions are yet to be well understood as results from experimental spectroscopic studies of its vibrational and rotational structure disagree with results from electronic structure calculations of the potential energy surface. By fitting either vibrationally resolved spectra or vibronic levels determined by a calculated potential energy surface, we obtain vibronic eigenfunctions for the system as linear combinations of basis functions from products of harmonic oscillators and the degenerate components of the electronic state. Using these vibronic eigenfunctions we are able to predict parameters in the rotational Hamiltonian such as the Watson Jahn-Teller distortion term, h_1, and compare with the results from the analysis of rotational experiments.

Impact load-induced micro-structural damage and micro-structure associated mechanical response of concrete made with different surface roughness and porosity aggregates

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

Erdem, Savas, E-mail: evxse1@nottingham.ac.uk; Dawson, Andrew Robert; Thom, Nicholas Howard

2012-02-15

The relationship between the nature of micro damage under impact loading and changes in mechanical behavior associated with different microstructures is studied for concretes made with two different coarse aggregates having significant differences mainly in roughness and porosity - sintered fly ash and uncrushed gravel. A range of techniques including X-ray diffraction, digital image analysis, mercury porosimetry, X-ray computed tomography, laser surface profilometry and scanning electron microscopy were used to characterize the aggregates and micro-structures. The concrete prepared with lightweight aggregates was stronger in compression than the gravel aggregate concrete due to enhanced hydration as a result of internal curing.more » In the lightweight concrete, it was deduced that an inhomogeneous micro-structure led to strain incompatibilities and consequent localized stress concentrations in the mix, leading to accelerated failure. The pore structure, compressibility, and surface texture of the aggregates are of paramount importance for the micro-cracking growth.« less

Exact surface-plasmon polariton solutions at a lossy interface.

PubMed

Norrman, Andreas; Setälä, Tero; Friberg, Ari T

2013-04-01

Making use of a rigorous electromagnetic treatment, we demonstrate that the approximate results that are customarily employed for the analysis of a plasmon field at a metal/dielectric boundary are incorrect even in some situations in which they are supposed to hold. We show further that a new type of surface-plasmon solution exists that does not follow from the standard approximate analysis. Energy-flow considerations indicate that the new polariton is a backward-propagating surface wave, as encountered in manmade structures. Our results are likely to find applications in metal/semiconductor and metamaterial plasmonics.

Reactive Behavior of Explosive Billets in Deflagration Tube of Varied Confinements

NASA Astrophysics Data System (ADS)

Hu, Haibo; Guo, Yingwen; Li, Tao; Fu, Hua; Shang, Hailin; Wen, Shanggang; Qiu, Tian; LaboratoryShock Wave; Detonation Physics Research Team

2017-06-01

The deflagration process of small size cylinder billets of pressed HMX-based explosive JO-9159 and the deflagration tube wall deformation is recorded by combined pressure velocity-meter high-speed frame photographic and radiographic diagnostic system. The influence of confinement structure strength on deflagration evolution behavior is compared with analysis of convective flame propagation along the slot between explosive billet and confinement wall.The follow-up reaction inside the cracks on the initiation site end surface on the side surfaces and between the end surfaces of explosive billets is restored with the analysis results of post experimental explosive billet remains.

A new multicomponent salt of imidazole and tetrabromoterepthalic acid: structural, optical, thermal, electrical transport properties and antibacterial activity along with Hirshfeld surface analysis.

PubMed

Dey, Sanjoy Kumar; Saha, Rajat; Singha, Soumen; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Ray, Partha Pratim; Bandhyopadhyay, Debasis; Kumar, Sanjay

2015-06-05

Herein, we report the structural, optical, thermal and electrical transport properties of a new multicomponent salt (TBTA(2-))·2(IM(+))·(water) [TBTA-IM] of tetrabromoterepthalic acid (TBTA) with imidazole (IM). The crystal structure of TBTA-IM is determined by both the single crystal and powder X-ray diffraction techniques. The structural analysis has revealed that the supramolecular charge assisted O(-)⋯HN(+) hydrogen bonding and Br⋯π interactions play the most vital role in formation of this multicomponent supramolecular assembly. The Hirshfeld surface analysis has been carried out to investigate supramolecular interactions and associated 2D fingerprint plots reveal the relative contribution of these interactions in the crystal structure quantitatively. According to theoretical analysis the HOMO-LUMO energy gap of the salt is 2.92 eV. The salt has been characterized by IR, UV-vis and photoluminescence spectroscopic studies. It shows direct optical transition with band gaps of 4.1 eV, which indicates that the salt is insulating in nature. The photoluminescence spectrum of the salt is significantly different from that of TBTA. Further, a comparative study on the antibacterial activity of the salt with respect to imidazole, Gatifloxacin and Ciprofloxacin has been performed. Moreover, the current-voltage (I-V) characteristic of ITO/TBTA-IM/Al sandwich structure exhibits good rectifying property and the electron tunneling process governs the electrical transport mechanism of the device. Copyright © 2015 Elsevier B.V. All rights reserved.

Supramolecular assembly of (Z)-ethyl 2-cyano-3-((4-fluorophenyl)amino) acrylate, crystal structure, Hirshfeld surface analysis and DFT studies

NASA Astrophysics Data System (ADS)

Matos, Catiúcia R. M. O.; Vitorino, Letícia S.; de Oliveira, Pedro H. R.; de Souza, Maria Cecília B. V.; Cunha, Anna C.; Boechat, Fernanda da C. S.; Resende, Jackson A. L. C.; Carneiro, José Walkimar de M.; Ronconi, Célia M.

2016-09-01

A mixture of the E and Z isomers of ethyl 2-cyano-3-((4-fluorophenyl)amino) acrylate was synthesized and characterized by elemental analysis, attenuated total reflectance-Fourier transform infrared spectroscopy, 1H and 13C nuclear magnetic resonance spectroscopy. The structure of the Z isomer was determined by single crystal X-ray diffraction, which revealed a three-dimensional supramolecular network governed by Csbnd H⋯N, Csbnd H⋯O, and Csbnd H⋯F hydrogen bonds and π⋯π stacking interactions. The combination of these interactions plays an important role in stabilizing the self-assembly process and the molecular conformation. Hirshfeld surface analysis indicated the roles of the noncovalent interactions in the crystal packing, which were quantified by fingerprint plots and DFT calculations.

Surface analysis characterisation of gum binders used in modern watercolour paints

NASA Astrophysics Data System (ADS)

Sano, Naoko; Cumpson, Peter J.

2016-02-01

Conducting this study has demonstrated that not only SEM-EDX but also XPS can be an efficient tool for characterising watercolour paint surfaces. We find that surface effects are mediated by water. Once the powdered components in the watercolour come into contact with water they dramatically transform their chemical structures at the surface and show the presence of pigment components with a random dispersion within the gum layer. Hence the topmost surface of the paint is confirmed as being composed of the gum binder components. This result is difficult to confirm using just one analytical technique (either XPS or SEM-EDX). In addition, peak fitting of C1s XPS spectra suggests that the gum binder in the commercial watercolour paints is probably gum arabic (by comparison with the reference materials). This identification is not conclusive, but the combination techniques of XPS and SEM shows the surface structure with material distribution of the gum binder and the other ingredients of the watercolour paints. Therefore as a unique technique, XPS combined with SEM-EDX may prove a useful method in the study of surface structure for not only watercolour objects but also other art objects; which may in future help in the conservation for art.

Orientation-dependent hydration structures at yttria-stabilized cubic zirconia surfaces

DOE PAGES

Hou, Binyang; Kim, Seunghyun; Kim, Taeho; ...

2016-11-30

Water interaction with surfaces is very important and plays key roles in many natural and technological processes. Because the experimental challenges that arise when studying the interaction water with specific crystalline surfaces, most studies on metal oxides have focused on powder samples, which averaged the interaction over different crystalline surfaces. As a result, studies on the crystal orientation-dependent interaction of water with metal oxides are rarely available in the literature. In this work, water adsorption at 8 mol % yttria-stabilized cubic single crystal zirconia (100) and (111) surfaces was studied in terms of interfacial hydration structures using high resolution X-raymore » reflectivity measurements. The interfacial electron density profiles derived from the structure factor analysis of the measured data show the existence of multiple layers of adsorbed water with additional peculiar metal adsorption near the oxide surfaces.Surface relaxation, depletion, and interaction between the adsorbed layers and bulk water are found to vary greatly between the two surfaces and are also different when compared to the previously studied (110) surface. The fractional ratio between chemisorbed and physisorbed water species were also quantitatively estimated, which turned out to vary dramatically from surface to surface. Finally, the result gives us a unique opportunity to reconsider the simplified 2:1 relation between chemisorption and physisorption, originally proposed by Morimoto et al. based on the adsorption isotherms of water on powder metal oxide samples.« less

Failure Analysis of Composite Structure Materials.

DTIC Science & Technology

1987-05-27

cracking intersected the trailing edge of the skin at a radius for a runout of an overhanging tab. Extensive delamination was evident or each side of...structure with an abrasive cutoff wheel to minimize artifacts. Detailed crack mapping of the delamination surfaces was performed by optical microscopy

Optical performance assessment under environmental and mechanical perturbations in large, deployable telescopes

NASA Astrophysics Data System (ADS)

Folley, Christopher; Bronowicki, Allen

2005-09-01

Prediction of optical performance for large, deployable telescopes under environmental conditions and mechanical disturbances is a crucial part of the design verification process of such instruments for all phases of design and operation: ground testing, commissioning, and on-orbit operation. A Structural-Thermal-Optical-Performance (STOP) analysis methodology is often created that integrates the output of one analysis with the input of another. The integration of thermal environment predictions with structural models is relatively well understood, while the integration of structural deformation results into optical analysis/design software is less straightforward. A Matlab toolbox has been created that effectively integrates the predictions of mechanical deformations on optical elements generated by, for example, finite element analysis, and computes optical path differences for the distorted prescription. The engine of the toolbox is the real ray-tracing algorithm that allows the optical surfaces to be defined in a single, global coordinate system thereby allowing automatic alignment of the mechanical coordinate system with the optical coordinate system. Therefore, the physical location of the optical surfaces is identical in the optical prescription and the finite element model. The application of rigid body displacements to optical surfaces, however, is more general than for use solely in STOP analysis, such as the analysis of misalignments during the commissioning process. Furthermore, all the functionality of Matlab is available for optimization and control. Since this is a new tool for use on flight programs, it has been verified against CODE V. The toolbox' functionality, to date, is described, verification results are presented, and, as an example of its utility, results of a thermal distortion analysis are presented using the James Webb Space Telescope (JWST) prescription.

Evaluation of high temperature structural adhesives for extended service. [supersonic cruise aircraft research

NASA Technical Reports Server (NTRS)

Hill, S. G.

1981-01-01

Eight different Ti-6Al-4V surface treatments were investigated for each of 10 candidate resins. Primers (two for each resin) were studied for appropriate cure and thickness and initial evaluation of bond joints began using various combinations of the adhesive resins and surface treatments. Surface failure areas of bonded titanium coupons were analyzed by electron microscopy and surface chemical analysis techniques. Results of surface characterization and failure analysis are described for lap shear bond joints occurring with adhesive systems consisting of: (1) LARC-13 adhesive, Pasa jell surface treatment; (2) LARC-13 adhesive, 10 volt CAA treatment; (3) PPQ adhesive, 10 volt CAA treatment; and (4) PPQ adhesive, 5 volt CAA treatment. The failure analysis concentrated on the 10,000 hr 505K (450 F) exposed specimens which exhibited adhesive failure. Environmental exposure data being generated on the PPQ-10 volt CAA and the LARC-TPI-10 volt CAA adhesive systems is included.

Compositional depth profile of a native oxide LPCVD MNOS structure using X-ray photoelectron spectroscopy and chemical etching

NASA Technical Reports Server (NTRS)

Wurzbach, J. A.; Grunthaner, F. J.

1983-01-01

It is pointed out that there is no report of an unambiguous analysis of the composition and interfacial structure of MNOS (metal-nitride oxide semiconductor) systems, despite the technological importance of these systems. The present investigation is concerned with a study of an MNOS structure on the basis of a technique involving the use of X-ray photoelectron spectroscopy (XPS) with a controlled stopped-flow chemical-etching procedure. XPS is sensitive to the structure of surface layers, while stopped-flow etching permits the controlled removal of overlying material on a scale of atomic layers, to expose new surface layers as a function of thickness. Therefore, with careful analysis of observed intensities at measured depths, this combination of techniques provides depth resolution between 5 and 10 A. According to the obtained data there is intact SiO2 at the substrate interface. There appears to be a thin layer containing excess bonds to silicon on top of the SiO2.

Exploring image data assimilation in the prospect of high-resolution satellite oceanic observations

NASA Astrophysics Data System (ADS)

Durán Moro, Marina; Brankart, Jean-Michel; Brasseur, Pierre; Verron, Jacques

2017-07-01

Satellite sensors increasingly provide high-resolution (HR) observations of the ocean. They supply observations of sea surface height (SSH) and of tracers of the dynamics such as sea surface salinity (SSS) and sea surface temperature (SST). In particular, the Surface Water Ocean Topography (SWOT) mission will provide measurements of the surface ocean topography at very high-resolution (HR) delivering unprecedented information on the meso-scale and submeso-scale dynamics. This study investigates the feasibility to use these measurements to reconstruct meso-scale features simulated by numerical models, in particular on the vertical dimension. A methodology to reconstruct three-dimensional (3D) multivariate meso-scale scenes is developed by using a HR numerical model of the Solomon Sea region. An inverse problem is defined in the framework of a twin experiment where synthetic observations are used. A true state is chosen among the 3D multivariate states which is considered as a reference state. In order to correct a first guess of this true state, a two-step analysis is carried out. A probability distribution of the first guess is defined and updated at each step of the analysis: (i) the first step applies the analysis scheme of a reduced-order Kalman filter to update the first guess probability distribution using SSH observation; (ii) the second step minimizes a cost function using observations of HR image structure and a new probability distribution is estimated. The analysis is extended to the vertical dimension using 3D multivariate empirical orthogonal functions (EOFs) and the probabilistic approach allows the update of the probability distribution through the two-step analysis. Experiments show that the proposed technique succeeds in correcting a multivariate state using meso-scale and submeso-scale information contained in HR SSH and image structure observations. It also demonstrates how the surface information can be used to reconstruct the ocean state below the surface.

Optimal condition for fabricating superhydrophobic Aluminum surfaces with controlled anodizing processes

NASA Astrophysics Data System (ADS)

Saffari, Hamid; Sohrabi, Beheshteh; Noori, Mohammad Reza; Bahrami, Hamid Reza Talesh

2018-03-01

A single step anodizing process is used to produce micro-nano structures on Aluminum (1050) substrates with sulfuric acid as electrolyte. Therefore, surface energy of the anodized layer is reduced using stearic acid modification. Undoubtedly, effects of different parameters including anodizing time, electrical current, and type and concentration of electrolyte on the final contact angle are systemically studied and optimized. Results show that anodizing current of 0.41 A, electrolyte (sulfuric acid) concentration of 15 wt.% and anodizing time of 90 min are optimal conditions which give contact angle as high as 159.2° and sliding angle lower than 5°. Moreover, the study reveals that adding oxalic acid to the sulfuric acid cannot enhance superhydrophobicity of the samples. Also, scanning electron microscopy images of samples show that irregular (bird's nest) structures present on the surface instead of high-ordered honeycomb structures expecting from normal anodizing process. Additionally, X-ray diffraction analysis of the samples shows that only amorphous structures present on the surface. The Brunauer-Emmett-Teller (BET) specific surface area of the anodized layer is 2.55 m2 g-1 in optimal condition. Ultimately, the surface keeps its hydrophobicity in air and deionized water (DIW) after one week and 12 weeks, respectively.

High-sensitivity four-layer polymer fiber-optic evanescent wave sensor.

PubMed

Xin, Xin; Zhong, Nianbing; Liao, Qiang; Cen, Yanyan; Wu, Ruohua; Wang, Zhengkun

2017-05-15

We present a novel four-layer structure consisting of bottom, second, third, and surface layers in the sensing region, for a D-shaped step-index fiber-optic evanescent wave (FOEW) sensor. To reduce the background noise, the surface of the longitudinal section in the D-shaped region is coated with a light-absorbing film. We check the morphologies of the second and surface layers, examine the refractive indices (RIs) of the third and surface layers, and analyze the composition of the surface layer. We also investigate the effects of the thicknesses and RIs of the third and surface layers and the LA film on the light transmission and sensitivity of the FOEW sensors. The results highlight the very good sensitivity of the proposed FOEW sensor with a four-layer structure, which reached -0.077 (μg/l) -1 in the detection of the target antibody; the sensitivity of the novel FOEW sensor was 7.60 and 1.52 times better than that of a conventional sensor with a core-cladding structure and an FOEW sensor with a three-layer structure doped with GeO 2 . The applications of this high-sensitivity FOEW sensor can be extended to biodefense, disease diagnosis, and biomedical and biochemical analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

In Situ Nondestructive Analysis of Kalanchoe pinnata Leaf Surface Structure by Polarization-Modulation Infrared Reflection-Absorption Spectroscopy.

PubMed

Hama, Tetsuya; Kouchi, Akira; Watanabe, Naoki; Enami, Shinichi; Shimoaka, Takafumi; Hasegawa, Takeshi

2017-12-14

The outermost surface of the leaves of land plants is covered with a lipid membrane called the cuticle that protects against various stress factors. Probing the molecular-level structure of the intact cuticle is highly desirable for understanding its multifunctional properties. We report the in situ characterization of the surface structure of Kalanchoe pinnata leaves using polarization-modulation infrared reflection-absorption spectroscopy (PM-IRRAS). Without sample pretreatment, PM-IRRAS measures the IR spectra of the leaf cuticle of a potted K. pinnata plant. The peak position of the CH 2 -related modes shows that the cuticular waxes on the leaf surface are mainly crystalline, and the alkyl chains are highly packed in an all-trans zigzag conformation. The surface selection rule of PM-IRRAS revealed the average orientation of the cuticular molecules, as indicated by the positive and negative signals of the IR peaks. This unique property of PM-IRRAS revealed that the alkyl chains of the waxes and the main chains of polysaccharides are oriented almost perpendicular to the leaf surface. The nondestructive, background-free, and environmental gas-free nature of PM-IRRAS allows the structure and chemistry of the leaf cuticle to be studied directly in its native environment.

Radiation Heat Transfer Between Diffuse-Gray Surfaces Using Higher Order Finite Elements

NASA Technical Reports Server (NTRS)

Gould, Dana C.

2000-01-01

This paper presents recent work on developing methods for analyzing radiation heat transfer between diffuse-gray surfaces using p-version finite elements. The work was motivated by a thermal analysis of a High Speed Civil Transport (HSCT) wing structure which showed the importance of radiation heat transfer throughout the structure. The analysis also showed that refining the finite element mesh to accurately capture the temperature distribution on the internal structure led to very large meshes with unacceptably long execution times. Traditional methods for calculating surface-to-surface radiation are based on assumptions that are not appropriate for p-version finite elements. Two methods for determining internal radiation heat transfer are developed for one and two-dimensional p-version finite elements. In the first method, higher-order elements are divided into a number of sub-elements. Traditional methods are used to determine radiation heat flux along each sub-element and then mapped back to the parent element. In the second method, the radiation heat transfer equations are numerically integrated over the higher-order element. Comparisons with analytical solutions show that the integration scheme is generally more accurate than the sub-element method. Comparison to results from traditional finite elements shows that significant reduction in the number of elements in the mesh is possible using higher-order (p-version) finite elements.

Surface characteristic of chemically converted graphene coated low carbon steel by electro spray coating method for polymer electrolyte membrane fuel cell bipolar plate.

PubMed

Kim, Jungsoo; Kim, Yang Do; Nam, Dae Geun

2013-05-01

Graphene was coated on low carbon steel (SS400) by electro spray coating method to improve its properties of corrosion resistance and contact resistance. Exfoliated graphite was made of the graphite by chemical treatment (Chemically Converted Graphene, CCG). CCG is distributed using dispersing agent, and low carbon steel was coated with diffuse graphene solution by electro spray coating method. The structure of the CCG was analyzed using XRD and the coating layer of surface was analyzed using SEM. Analysis showed that multi-layered graphite structure was destroyed and it was transformed in to fine layers graphene structure. And the result of SEM analysis on the surface and the cross section, graphene layer was uniformly formed with 3-5 microm thickness on the surface of substrate. Corrosion resistance test was applied in the corrosive solution which is similar to the polymer electrolyte membrane fuel cell (PEMFC) stack inside. And interfacial contact resistance (ICR) test was measured to simulate the internal operating conditions of PEMFC stack. As a result of measuring corrosion resistance and contact resistance, it could be confirmed that low carbon steel coated with CCG was revealed to be more effective in terms of its applicability as PEMFC bipolar plate.

New catalyst supports prepared by surface modification of graphene- and carbon nanotube structures with nitrogen containing carbon coatings

NASA Astrophysics Data System (ADS)

Oh, Eun-Jin; Hempelmann, Rolf; Nica, Valentin; Radev, Ivan; Natter, Harald

2017-02-01

We present a new and facile method for preparation of nitrogen containing carbon coatings (NCC) on the surface of graphene- and carbon nanotubes (CNT), which has an increased electronic conductivity. The modified carbon system can be used as catalyst support for electrocatalytic applications, especially for polymer electrolyte membrane fuel cells (PEMFC). The surface modification is performed by impregnating carbon structures with a nitrogen containing ionic liquid (IL) with a defined C:N ratio, followed by a thermal treatment under ambient conditions. We investigate the influence of the main experimental parameters (IL amount, temperature, substrate morphology) on the formation of the NCC. Additionally, the structure and the chemical composition of the resulting products are analyzed by electron microscopic techniques (SEM, TEM), energy disperse X-ray analysis (EDX), X-ray photoelectron spectroscopy (XPS) and hot extraction analysis. The modified surface has a nitrogen content of 29 wt% which decreases strongly at temperatures above 600 °C. The new catalyst supports are used for the preparation of PEMFC anodes which are characterized by polarization measurements and electrochemical impedance spectroscopy (EIS). Compared to unmodified graphene and CNT samples the electronic conductivity of the modified systems is increased by a factor of 2 and shows improved mass transport properties.

Comparison of Cornea Module and DermaInspect for noninvasive imaging of ocular surface pathologies

NASA Astrophysics Data System (ADS)

Steven, Philipp; Müller, Maya; Koop, Norbert; Rose, Christian; Hüttmann, Gereon

2009-11-01

Minimally invasive imaging of ocular surface pathologies aims at securing clinical diagnosis without actual tissue probing. For this matter, confocal microscopy (Cornea Module) is in daily use in ophthalmic practice. Multiphoton microscopy is a new optical technique that enables high-resolution imaging and functional analysis of living tissues based on tissue autofluorescence. This study was set up to compare the potential of a multiphoton microscope (DermaInspect) to the Cornea Module. Ocular surface pathologies such as pterygia, papillomae, and nevi were investigated in vivo using the Cornea Module and imaged immediately after excision by DermaInspect. Two excitation wavelengths, fluorescence lifetime imaging and second-harmonic generation (SHG), were used to discriminate different tissue structures. Images were compared with the histopathological assessment of the samples. At wavelengths of 730 nm, multiphoton microscopy exclusively revealed cellular structures. Collagen fibrils were specifically demonstrated by second-harmonic generation. Measurements of fluorescent lifetimes enabled the highly specific detection of goblet cells, erythrocytes, and nevus-cell clusters. At the settings used, DermaInspect reaches higher resolutions than the Cornea Module and obtains additional structural information. The parallel detection of multiphoton excited autofluorescence and confocal imaging could expand the possibilities of minimally invasive investigation of the ocular surface toward functional analysis at higher resolutions.

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.

Craterlike structures on the laser cut surface

NASA Astrophysics Data System (ADS)

Shulyatyev, V. B.; Orishich, A. M.

2017-10-01

Analysis of the laser cut surface morphology remain topical. It is related with the fact that the surface roughness is the main index of the cut quality. The present paper deals with the experimental study of the relatively unstudied type of defects on the laser cut surface, dimples, or craters. According to the measurement results, amount of craters per unit of the laser cut surface area rises as the sheet thickness rises. The crater diameter rises together with the sheet thickness and distance from the upper sheet edge. The obtained data permit concluding that the defects like craters are observed predominantly in the case of thick sheets. The results agree with the hypothesis of crater formation as impact structures resulting from the melt drops getting on the cut channel walls upon separation from the cut front by the gas flow.

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.

A New Technique to Produce Clean and Thin Silicon Films In Situ in a UHV Electron Microscope for TEM-TED Studies of Surfaces

NASA Astrophysics Data System (ADS)

Ozawa, Soh-ichiro; Yamanaka, Akira; Kobayashi, Kunio; Tanishiro, Yasumasa; Yagi, Katsumichi

1990-04-01

A new technique of in situ oxygen gas reaction thinning of Si films at around 750-800°C in an ultrahigh-vacuum electron microscope was developed. The technique produced films as thin as 10 to 20 nm. Such a thin film allows us to observe surface atomic steps, out-of-phase boundaries and {1/7 0}, {1/7 1/7} and {2/7 0} spots from the Si(111)7× 7 surface. These spots were not observed in previous studies, having been masked by strong inelastic scattering. The technique is useful not only for detecting clear diffraction spots of kinematical intensity for surface structure analysis but also for observation of high-resolution plan-view structure images of clean and adsorbed surfaces.

Supramolecular engineering of carbon nanostructures

NASA Astrophysics Data System (ADS)

Jian, Kengqing

This thesis identifies a new and flexible route to control graphene layer structure in carbons, which is the key to carbon properties and applications, and focuses on the synthesis, structure-property relationships, and potential applications of new "supramolecular" carbon nanomaterials. This new approach begins with the studies of surface anchoring and assembly mechanisms among planar discotic liquid crystals. The results show that disk-like polyaromatics exhibit weak noncovalent interactions with most surfaces and prefer edge-on anchoring at these surfaces; only on a few surfaces such as graphite and platinum, they prefer face-on anchoring. A theory of pi-pi bond preservation has been proposed to explain the wetting, anchoring, and assembly phenomena. Based on the assembly study, a supramolecular approach was developed, which uses surfaces, flows, and confinement to create well-defined order in discotic liquid crystals, which can then be covalently captured by cross-linking and converted into a carbon material whose structure is an accurate replica of the molecular order in the precursor. This technique has been successfully applied to create innovative nanocarbons with controllable nanostructures. The new nanomaterials synthesized by supramolecular route include organic and carbon films with precise crystal structure control using surface anchoring and flow. Lithographic techniques were employed to make micro-patterned surfaces with preprogrammed molecular orientations. Fully dense and ordered carbon thin films were prepared from lytropic liquid crystals. These films exhibit surfaces rich in edge-sites and are either anisotropic unidirectional or multi-domain. In addition, four different types of high-aspect-ratio nanocarbons were synthesized and analyzed: (1) "orthogonal" carbon nanofibers with perpendicular graphene layers, (2) "concentric" C/C-composite nanofibers with graphene layers parallel to the fiber axis, (3) "inverted" nanotubes exhibiting graphene edge planes at both inner and outer surfaces, and (4) nanoribbons. Finally, a set of mesoporous carbons were synthesized with both porous structure and interfacial structure systematically controlled by liquid crystal templating. A quantitative model was developed for carbon surface area prediction. In addition to synthesis, this thesis includes extensive structural analysis and some surface characterization of these nanomaterials, and offers ideas to exploit their unique properties for applications in composites, displays, nanomedicine, and the environment.

Enhancements to NURBS-Based FEA Airfoil Modeler: SABER

NASA Technical Reports Server (NTRS)

Saleeb, A. F.; Trowbridge, D. A.

2003-01-01

NURBS (Non-Uniform Rational B-Splines) have become a common way for CAD programs to fit a smooth surface to discrete geometric data. This concept has been extended to allow for the fitting of analysis data in a similar manner and "attaching" the analysis data to the geometric definition of the structure. The "attaching" of analysis data to the geometric definition allows for a more seamless sharing of data between analysis disciplines. NURBS have become a useful tool in the modeling of airfoils. The use of NURBS has allowed for the development of software that easily and consistently generates plate finite element models of the midcamber surface of a given airfoil. The resulting displacements can then be applied to the original airfoil surface and the deformed shape calculated.

Auto correlation analysis of coda waves from local earthquakes for detecting temporal changes in shallow subsurface structures - The 2011 Tohoku-Oki, Japan, earthquake -

NASA Astrophysics Data System (ADS)

Nakahara, H.

2013-12-01

For monitoring temporal changes in subsurface structures, I propose to use auto correlation functions of coda waves from local earthquakes recorded at surface receivers, which probably contain more body waves than surface waves. Because the use of coda waves requires earthquakes, time resolution for monitoring decreases. But at regions with high seismicity, it may be possible to monitor subsurface structures in sufficient time resolutions. Studying the 2011 Tohoku-Oki (Mw 9.0), Japan, earthquake for which velocity changes have been already reported by previous studies, I try to validate the method. KiK-net stations in northern Honshu are used in the analysis. For each moderate earthquake, normalized auto correlation functions of surface records are stacked with respect to time windows in S-wave coda. Aligning the stacked normalized auto correlation functions with time, I search for changes in arrival times of phases. The phases at lag times of less than 1s are studied because changes at shallow depths are focused. Based on the stretching method, temporal variations in the arrival times are measured at the stations. Clear phase delays are found to be associated with the mainshock and to gradually recover with time. Amounts of the phase delays are in the order of 10% on average with the maximum of about 50% at some stations. For validation, the deconvolution analysis using surface and subsurface records at the same stations are conducted. The results show that the phase delays from the deconvolution analysis are slightly smaller than those from the auto correlation analysis, which implies that the phases on the auto correlations are caused by larger velocity changes at shallower depths. The auto correlation analysis seems to have an accuracy of about several percents, which is much larger than methods using earthquake doublets and borehole array data. So this analysis might be applicable to detect larger changes. In spite of these disadvantages, this analysis is still attractive because it can be applied to many records on the surface in regions where no boreholes are available. Acknowledgements: Seismograms recorded by KiK-net managed by National Research Institute for Earth Science and Disaster Prevention (NIED) were used in this study. This study was partially supported by JST J-RAPID program and JSPS KAKENHI Grant Numbers 24540449 and 23540449.

Synthesis of P(AM-co-MAA)/AEM composite microspheres with lichi-like surface structure using porous microgel as template.

PubMed

Yang, Juxiang; Hu, Daodao; Xue, Min; Yang, Xing

2014-03-15

The P(AM-co-MAA)/AEM composite microspheres with lichi-like structure were synthesized by the hydrolysis and condensation of 3-(trimethoxysilyl)-propyldimethyloctadecyl-ammonium chloride (AEM) located within porous poly(acrylamide-co-methylacrylic acid) (P(AM-co-MAA)) microgels in an ammonia water atmosphere. The morphology and composition of the composite microspheres were characterized by scanning electron microscopy (SEM), thermogravimetric analysis (TGA), Fourier transform infrared spectrometer (FI-IR), and X-ray photoelectron spectroscopy (XPS), respectively. The results indicated that the composite microspheres with lichi-like surface structure could be obtained by controlling the loaded amount of AEM, the hydrolysis-condensation time of AEM, and the cross-linking degree of the porous P(AM-co-MAA) microgels. On the basis of the results, the mechanism on the formation of the microspheres with lichi-like surface structure was proposed. The multiple factors play a role in the formation of the specific surface morphology. The pores of the porous microgels make AEM behavior localized; the migration of AEM along with solvent evaporation leads to the structural change; the hydrolysis-condensation of AEM brings the temporarily structural solidification; the surface tension of hydrophobic AEM in hydrophilic atmosphere induces AEM liquid membrane constriction. Although the mechanism is complicated, the method is very simple. Based on the analogous principle, other composite materials with lichi-like structure could be constructed by altering precursor and porous template. Copyright © 2013 Elsevier Inc. All rights reserved.

Analysis of tuning methods in semiconductor frequency-selective surfaces

NASA Astrophysics Data System (ADS)

Shemelya, Corey; Palm, Dominic; Fip, Tassilo; Rahm, Marco

2017-02-01

Advanced technology, such as sensing and communication equipment, has recently begun to combine optically sensitive nano-scale structures with customizable semiconductor material systems. Included within this broad field of study is the aptly named frequency-selective surface; which is unique in that it can be artificially designed to produce a specific electromagnetic or optical response. With the inherent utility of a frequency-selective surface, there has been an increased interest in the area of dynamic frequency-selective surfaces, which can be altered through optical or electrical tuning. This area has had exciting break throughs as tuning methods have evolved; however, these methods are typically energy intensive (optical tuning) or have met with limited success (electrical tuning). As such, this work investigates multiple structures and processes which implement semiconductor electrical biasing and/or optical tuning. Within this study are surfaces ranging from transmission meta-structures to metamaterial surface-waves and the associated coupling schemes. This work shows the utility of each design, while highlighting potential methods for optimizing dynamic meta-surfaces. As an added constraint, the structures were also designed to operate in unison with a state-of-the-art Ti:Sapphire Spitfire Ace and Spitfire Ace PA dual system (12 Watt) with pulse front matching THz generation and an EOS detection system. Additionally, the Ti:Sapphire laser system would provide the means for optical tunablity, while electrical tuning can be obtained through external power supplies.

Structured Light Based 3d Scanning for Specular Surface by the Combination of Gray Code and Phase Shifting

NASA Astrophysics Data System (ADS)

Zhang, Yujia; Yilmaz, Alper

2016-06-01

Surface reconstruction using coded structured light is considered one of the most reliable techniques for high-quality 3D scanning. With a calibrated projector-camera stereo system, a light pattern is projected onto the scene and imaged by the camera. Correspondences between projected and recovered patterns are computed in the decoding process, which is used to generate 3D point cloud of the surface. However, the indirect illumination effects on the surface, such as subsurface scattering and interreflections, will raise the difficulties in reconstruction. In this paper, we apply maximum min-SW gray code to reduce the indirect illumination effects of the specular surface. We also analysis the errors when comparing the maximum min-SW gray code and the conventional gray code, which justifies that the maximum min-SW gray code has significant superiority to reduce the indirect illumination effects. To achieve sub-pixel accuracy, we project high frequency sinusoidal patterns onto the scene simultaneously. But for specular surface, the high frequency patterns are susceptible to decoding errors. Incorrect decoding of high frequency patterns will result in a loss of depth resolution. Our method to resolve this problem is combining the low frequency maximum min-SW gray code and the high frequency phase shifting code, which achieves dense 3D reconstruction for specular surface. Our contributions include: (i) A complete setup of the structured light based 3D scanning system; (ii) A novel combination technique of the maximum min-SW gray code and phase shifting code. First, phase shifting decoding with sub-pixel accuracy. Then, the maximum min-SW gray code is used to resolve the ambiguity resolution. According to the experimental results and data analysis, our structured light based 3D scanning system enables high quality dense reconstruction of scenes with a small number of images. Qualitative and quantitative comparisons are performed to extract the advantages of our new combined coding method.

ToF-SIMS measurements with topographic information in combined images.

PubMed

Koch, Sabrina; Ziegler, Georg; Hutter, Herbert

2013-09-01

In 2D and 3D time-of-flight secondary ion mass spectrometric (ToF-SIMS) analysis, accentuated structures on the sample surface induce distorted element distributions in the measurement. The origin of this effect is the 45° incidence angle of the analysis beam, recording planar images with distortion of the sample surface. For the generation of correct element distributions, these artifacts associated with the sample surface need to be eliminated by measuring the sample surface topography and applying suitable algorithms. For this purpose, the next generation of ToF-SIMS instruments will feature a scanning probe microscope directly implemented in the sample chamber which allows the performance of topography measurements in situ. This work presents the combination of 2D and 3D ToF-SIMS analysis with topographic measurements by ex situ techniques such as atomic force microscopy (AFM), confocal microscopy (CM), and digital holographic microscopy (DHM). The concept of the combination of topographic and ToF-SIMS measurements in a single representation was applied to organic and inorganic samples featuring surface structures in the nanometer and micrometer ranges. The correct representation of planar and distorted ToF-SIMS images was achieved by the combination of topographic data with images of 2D as well as 3D ToF-SIMS measurements, using either AFM, CM, or DHM for the recording of topographic data.

Thermal Strain Analysis of Optic Fiber Sensors

PubMed Central

Her, Shiuh-Chuan; Huang, Chih-Ying

2013-01-01

An optical fiber sensor surface bonded onto a host structure and subjected to a temperature change is analytically studied in this work. The analysis is developed in order to assess the thermal behavior of an optical fiber sensor designed for measuring the strain in the host structure. For a surface bonded optical fiber sensor, the measuring sensitivity is strongly dependent on the bonding characteristics which include the protective coating, adhesive layer and the bonding length. Thermal stresses can be generated due to a mismatch of thermal expansion coefficients between the optical fiber and host structure. The optical fiber thermal strain induced by the host structure is transferred via the adhesive layer and protective coating. In this investigation, an analytical expression of the thermal strain and stress in the optical fiber is presented. The theoretical predictions are validated using the finite element method. Numerical results show that the thermal strain and stress are linearly dependent on the difference in thermal expansion coefficients between the optical fiber and host structure and independent of the thermal expansion coefficients of the adhesive and coating. PMID:23385407

Cost-Benefit Analysis For Alternative Low-Emission Surface Preparation/ Depainting Technologies for Structural Steel

NASA Technical Reports Server (NTRS)

Lewis, Pattie

2007-01-01

Stennis Space Center (SSC), Kennedy Space Center (KSC) and Air Force Space Command (AFSPC) identified particulate emissions and waste generated from the depainting process of steel structures as hazardous materials to be eliminated or reduced. A Potential Alternatives Report, Potential Alternatives Report for Validation of Alternative Low Emission Surface Preparation/Depainting Technologies for Structural Steel, provided a technical analyses of identified alternatives to the current coating removal processes, criteria used to select alternatives for further analysis, and a list of those alternatives recommended for testing. The initial coating removal alternatives list was compiled using literature searches and stakeholder recommendations. The involved project participants initially considered approximately 13 alternatives. In late 2003, core project members selected the following depainting processes to be further evaluated: (1) Plastic Blast Media-Quickstrip(R)-A. (2) Hard Abrasive-Steel-Magic(R). (3) Sponge Blasting-Sponge-Jet(R). (4) Liquid Nitrogen-NItroJet(R). (5) Mechanical Removal with Vacuum Attachment-DESCO and OCM Clean-Air (6) Laser Coating Removal Alternatives were tested in accordance with the Joint Test Protocol for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel, and the Field Evaluation Test Plan for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel. Results of the testing are documented in the Joint Test Report. This Cost-Benefit Analysis (CBA) focuses on the three alternatives (Quickstrip(R)-A, SteelMagic (R), and Sponge-Jet(R)) that were considered viable alternatives for large area operations based on the results of the field demonstration and lab testing. This CBA was created to help participants determine if implementation of the candidate alternatives is economically justified. Each of the alternatives examined reduced Environmental Activity (EA) Costs-those costs associated with complying with environmental regulations. One alternative, Steel-Magic(R), also showed reduced Direct Costs and reduced total costs.

Surface topography, nano-mechanics and secondary structure of wheat gluten pretreated by alternate dual-frequency ultrasound and the correlation to enzymolysis.

PubMed

Zhang, Yanyan; Wang, Bei; Zhou, Cunshan; Atungulu, Griffiths G; Xu, Kangkang; Ma, Haile; Ye, Xiaofei; Abdualrahman, Mohammed A Y

2016-07-01

The effects of alternate dual-frequency ultrasound (ADFU) pretreatment on the degree of hydrolysis (DH) of wheat gluten (WG) and angiotensin I-converting enzyme (ACE) inhibitory activity were investigated in this research. The surface topography, nano-mechanics and secondary structure of WG were also determined using atomic force microscope (AFM) and circular dichroism (CD). The correlations of ACE inhibitory activity and DH with surface topography, nano-mechanics and secondary structure of WG were determined using Pearson's correlation analysis. The results showed that with an increase in either pretreatment duration or power, the ACE inhibitory activity of the hydrolysate also increases, reaching maximum at 10 min and 150 W/L, respectively, and then decreases thereafter. Similarly, AFM analysis showed that as the pretreatment duration or power increases, the surface roughness also increase and again a decrease occurs thereafter. As the pretreatment duration or power increased, the Young's modulus and adhesion of WG also increased and then declined. Young's modulus and adhesions average values were compared with ACE inhibitory activity reversely. The result of the CD spectra analysis exhibited losses in the relative percentage of α-helix of WG. Pearson's correlation analysis showed that the average values of Young's modulus and the relative percentage of α-helix correlated with ACE inhibitory activity of the hydrolysates linearly and significantly (P<0.05); the relative percentage of β-sheet correlated linearly with DH of WG significantly (P<0.05). In conclusion, ADFU pretreatment is an efficient method in proteolysis due to its physical and chemical effect on the Young's modulus, α-helix and β-sheet of WG. Copyright © 2015 Elsevier B.V. All rights reserved.

Self-Assembled Gold Nano-Ripple Formation by Gas Cluster Ion Beam Bombardment.

PubMed

Tilakaratne, Buddhi P; Chen, Quark Y; Chu, Wei-Kan

2017-09-08

In this study, we used a 30 keV argon cluster ion beam bombardment to investigate the dynamic processes during nano-ripple formation on gold surfaces. Atomic force microscope analysis shows that the gold surface has maximum roughness at an incident angle of 60° from the surface normal; moreover, at this angle, and for an applied fluence of 3 × 10 16 clusters/cm², the aspect ratio of the nano-ripple pattern is in the range of ~50%. Rutherford backscattering spectrometry analysis reveals a formation of a surface gradient due to prolonged gas cluster ion bombardment, although the surface roughness remains consistent throughout the bombarded surface area. As a result, significant mass redistribution is triggered by gas cluster ion beam bombardment at room temperature. Where mass redistribution is responsible for nano-ripple formation, the surface erosion process refines the formed nano-ripple structures.

Factors Affecting the Development of Oxide Scales on Austenitic Stainless Steels during Hot Rolling in Steckel Mills

NASA Astrophysics Data System (ADS)

Cobo, S. J.; Rainforth, W. M.

2008-10-01

The hot rolling of austenitic stainless steels in Steckel Mills introduces particular characteristics to the development of oxides scales and surface structures. In this work, the formation of oxide structures during multipass hot rolling of 302 steel was studied under different sets of processing parameters in a laboratory system designed for the simulation of the Steckel process. The resulting surface structures were characterized by a set of complementary techniques involving scanning electron microscopy, energy-dispersive spectroscopy (EDS), X-ray diffraction (XRD), and glow discharge optical spectroscopy (GDOS). The surface analysis revealed two alternative surface structures: one consisting in a thin protective oxide layer rich in Cr2O3 and the other consisting in thick complex structures containing several successive nonprotective oxide scale and metal layers resulting from a cyclic oxidation pattern involving stages of protective oxidation, chemical breakaway, and duplex oxidation. The critical condition that determined the activation of one mechanism or the other was identified associated with the parabolic rate constant for Cr2O3 growth and the diffusivity of Cr in the alloy. The effects of changes in temperature, deformation, and furnace atmosphere are discussed. Alternatives for controlling scale development are presented.

Crystal structures, DFT calculations and Hirshfeld surface analyses of three new cobalt(III) Schiff base complexes derived from meso-1,2-diphenyl-1,2-ethylenediamine

NASA Astrophysics Data System (ADS)

Masoudi, Mohaddeseh; Behzad, Mahdi; Arab, Ali; Tarahhomi, Atekeh; Rudbari, Hadi Amiri; Bruno, Giuseppe

2016-10-01

Three new Cobalt(III) Schiff base complexes were synthesized and characterized by spectroscopic methods and x-ray crystallography. The DFT optimized structures of the complexes agreed well with the corresponding x-ray structures. According to the calculated vibrational normal modes, the observed signals in the IR spectra of the complexes were assigned. The experimental UV-Vis spectra of the complexes were also discussed considering the calculated excited states and molecular orbitals. Hirshfeld surface analysis was carried out to study the inter-contact interactions in these complexes. These studies provided comprehensive description of such inter-contact interactions by means of an appealing graphical approach using 3D Hirshfeld surfaces and 2D fingerprint plots derived from the surfaces. It indicated the dominant role of various hydrogen intermolecular interactions such as H⋯H (above 60%), C⋯H/H⋯C (near 15%-20%), O⋯H/H⋯O (about 16% or 17% for structures with counter ion ClO4-) and H⋯F (17% for structure with counter ion PF6-) contacts into the crystal packing which are discussed in details.

Supramolecular structure formation of Langmuir-Blodgett films of comblike precursor and polyimide

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

Goloudina, S. I., E-mail: goloudina@mail.ru; Luchinin, V. V.; Rozanov, V. V.

2013-03-15

The surface structure of Langmuir-Blodgett films of a comblike polyimide precursor-a rigid-chain polyamic acid alkylamine salt bearing multichains of tertiary amine-and films of the corresponding polyimide were studied by atomic force microscopy (AFM). An analysis of the images of the surface of three-layer films revealed a domain structure. It was found that the Langmuir-Blodgett film formation of the precursor occurs as a result of the layer-by-layer deposition of two-dimensional domains (composed of polyamic acid salt molecules on the water surface) onto a substrate. The formation of domains in a monolayer is associated with the chemical structure of the precursor, tomore » be more precise, with the rigidity of the main chain and the presence of closely spaced aliphatic side chains in the polymer chain, whose total cross-section area is close to the surface area of the projection onto the plane of the repeating unit of the main chain. Polyimide films inherit the domain structure of the precursor films; the inhomogeneity of the film thickness substantially decreases, whereas the domain size and character of their distribution in the film remain unchanged.« less

Analytical and Experimental Characterization of Gravity Induced Deformations In Subscale Gossamer Structures

NASA Technical Reports Server (NTRS)

Johnston, John D.; Blandino, Joseph R.; McEvoy, Kiley C.

2004-01-01

The development of gossamer space structures such as solar sails and sunshields presents many challenges due to their large size and extreme flexibility. The post-deployment structural geometry exhibited during ground testing may significantly depart from the in-space configuration due to the presence of gravity-induced deformations (gravity sag) of lightly preloaded membranes. This paper describes a study carried out to characterize gravity sag in two subscale gossamer structures: a single quadrant from a 2 m, 4 quadrant square solar sail and a 1.7 m membrane layer from a multi-layer sunshield The behavior of the test articles was studied over a range of preloads and in several orientations with respect to gravity. An experimental study was carried out to measure the global surface profiles using photogrammetry, and nonlinear finite element analysis was used to predict the behavior of the test articles. Comparison of measured and predicted surface profiles shows that the finite dement analysis qualitatively predicts deformed shapes comparable to those observed in the laboratory. Quantitatively, finite element analysis predictions for peak gravity-induced deformations in both test articles were within 10% of measured values. Results from this study provide increased insight into gravity sag behavior in gossamer structures, and demonstrates the potential to analytically predict gravity-induced deformations to within reasonable accuracy.

Spectroscopic and molecular docking studies on N,N-di-tert-butoxycarbonyl (Boc)-2-amino pyridine: A potential bioactive agent for lung cancer treatment

NASA Astrophysics Data System (ADS)

Mohamed Asath, R.; Premkumar, R.; Mathavan, T.; Milton Franklin Benial, A.

2017-09-01

Potential energy surface scan was performed and the most stable molecular structure of the N,N-di-tert-butoxycarbonyl (Boc)-2-amino pyridine (DBAP) molecule was predicted. The most stable molecular structure of the molecule was optimized using B3LYP method with cc-pVTZ basis set. Anticancer activity of the DBAP molecule was evaluated by molecular docking analysis. The structural parameters and vibrational wavenumbers were calculated for the optimized molecular structure. The experimental and theoretical wavenumbers were assigned and compared. Ultraviolet-Visible spectrum was simulated and validated experimentally. The molecular electrostatic potential surface was simulated and Fukui function calculations were also carried out to investigate the reactive nature of the DBAP molecule. The natural bond orbital analysis was also performed to probe the intramolecular interactions and confirm the bioactivity of the DBAP molecule. The molecular docking analysis reveals the better inhibitory nature of the DBAP molecule against the epidermal growth factor receptor (EGFR) protein which causes lung cancer. Hence, the present study unveils the structural and bioactive nature of the title molecule. The DBAP molecule was identified as a potential inhibitor against the lung cancer which may be useful in further development of drug designing in the treatment of lung cancer.

Seismic loading due to mining: Wave amplification and vibration of structures

NASA Astrophysics Data System (ADS)

Lokmane, N.; Semblat, J.-F.; Bonnet, G.; Driad, L.; Duval, A.-M.

2003-04-01

A vibration induced by the ground motion, whatever its source is, can in certain cases damage surface structures. The scientific works allowing the analysis of this phenomenon are numerous and well established. However, they generally concern dynamic motion from real earthquakes. The goal of this work is to analyse the impact of shaking induced by mining on the structures located on the surface. The methods allowing to assess the consequences of earthquakes of strong amplitude are well established, when the methodology to estimate the consequences of moderate but frequent dynamic loadings is not well defined. The mining such as the "Houillères de Bassin du Centre et du Midi" (HBCM) involves vibrations which are regularly felt on the surface. An extracting work of coal generates shaking similar to those caused by earthquakes (standard waves and laws of propagation) but of rather low magnitude. On the other hand, their recurrent feature makes the vibrations more harmful. A three-dimensional modeling of standard structure of the site was carried out. The first results show that the fundamental frequencies of this structure are compatible with the amplification measurements carried out on site. The motion amplification in the surface soil layers is then analyzed. The modeling works are performed on the surface soil layers of Gardanne (Provence), where measurements of microtremors were performed. The analysis of H/V spectral ratio (horizontal on vertical component) indeed makes it possible to characterize the fundamental frequencies of the surface soil layers. This experiment also allows to characterize local evolution of amplification induced by the topmost soil layers. The numerical methods we consider to model seismic wave propagation and amplification in the site, is the Boundary Element Methode (BEM) The main advantage of the boundary element method is to get rid of artificial truncations of the mesh (as in Finite Element Method) in the case of infinite medium. For dynamic problems, these truncations lead to spurious wave reflections giving a numerical error in the solution. The experimental and numerical (BEM) results on surface motion amplification are then compared in terms of both amplitude and frequency range.

Automatic recognition of surface landmarks of anatomical structures of back and posture

NASA Astrophysics Data System (ADS)

Michoński, Jakub; Glinkowski, Wojciech; Witkowski, Marcin; Sitnik, Robert

2012-05-01

Faulty postures, scoliosis and sagittal plane deformities should be detected as early as possible to apply preventive and treatment measures against major clinical consequences. To support documentation of the severity of deformity and diminish x-ray exposures, several solutions utilizing analysis of back surface topography data were introduced. A novel approach to automatic recognition and localization of anatomical landmarks of the human back is presented that may provide more repeatable results and speed up the whole procedure. The algorithm was designed as a two-step process involving a statistical model built upon expert knowledge and analysis of three-dimensional back surface shape data. Voronoi diagram is used to connect mean geometric relations, which provide a first approximation of the positions, with surface curvature distribution, which further guides the recognition process and gives final locations of landmarks. Positions obtained using the developed algorithms are validated with respect to accuracy of manual landmark indication by experts. Preliminary validation proved that the landmarks were localized correctly, with accuracy depending mostly on the characteristics of a given structure. It was concluded that recognition should mainly take into account the shape of the back surface, putting as little emphasis on the statistical approximation as possible.

Tailoring pore properties of MCM-48 silica for selective adsorption of CO2.

PubMed

Kim, Sangil; Ida, Junichi; Guliants, Vadim V; Lin, Jerry Y S

2005-04-07

Four different types of amine-attached MCM-48 silicas were prepared and investigated for CO(2) separation from N(2). Monomeric and polymeric hindered and unhindered amines were attached to the pore surface of the MCM-48 silica and characterized with respect to their CO(2) sorption properties. The pore structures and amino group content in these modified silicas were investigated by XRD, FT-IR, TGA, N(2) adsorption/desorption at 77 K and CHN/Si analysis, which confirmed that in all cases the amino groups were attached to the pore surface of MCM-48 at 1.5-5.2 mmol/g. The N(2) adsorption/desorption analysis showed a considerable decrease of the pore volume and surface area for the MCM-48 silica containing a polymeric amine (e.g., polyethyleneimine). The CO(2) adsorption rates and capacities of the amine-attached MCM-48 samples were studied employing a sorption microbalance. The results obtained indicated that in addition to the concentration of surface-attached amino groups, specific interactions between CO(2) and the surface amino groups, and the resultant pore structure after amine group attachment have a significant impact on CO(2) adsorption properties of these promising adsorbent materials.

Thermal-distortion analysis of an antenna strongback for geostationary high-frequency microwave applications

NASA Technical Reports Server (NTRS)

Farmer, Jeffrey T.; Wahls, Deborah M.; Wright, Robert L.

1990-01-01

The global change technology initiative calls for a geostationary platform for Earth science monitoring. One of the major science instruments is the high frequency microwave sounder (HFMS) which uses a large diameter, high resolution, high frequency microwave antenna. This antenna's size and required accuracy dictates the need for a segmented reflector. On-orbit disturbances may be a significant factor in its design. A study was performed to examine the effects of the geosynchronous thermal environment on the performance of the strongback structure for a proposed antenna concept for this application. The study included definition of the strongback and a corresponding numerical model to be used in the thermal and structural analyses definition of the thermal environment, determination of structural element temperature throughout potential orbits, estimation of resulting thermal distortions, and assessment of the structure's capability to meet surface accuracy requirements. Analyses show that shadows produced by the antenna reflector surface play a major role in increasing thermal distortions. Through customization of surface coating and element expansion characteristics, the segmented reflector concept can meet the tight surface accuracy requirements.

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.

High lateral resolution exploration using surface waves from noise records

NASA Astrophysics Data System (ADS)

Chávez-García, Francisco José Yokoi, Toshiaki

2016-04-01

Determination of the shear-wave velocity structure at shallow depths is a constant necessity in engineering or environmental projects. Given the sensitivity of Rayleigh waves to shear-wave velocity, subsoil structure exploration using surface waves is frequently used. Methods such as the spectral analysis of surface waves (SASW) or multi-channel analysis of surface waves (MASW) determine phase velocity dispersion from surface waves generated by an active source recorded on a line of geophones. Using MASW, it is important that the receiver array be as long as possible to increase the precision at low frequencies. However, this implies that possible lateral variations are discarded. Hayashi and Suzuki (2004) proposed a different way of stacking shot gathers to increase lateral resolution. They combined strategies used in MASW with the common mid-point (CMP) summation currently used in reflection seismology. In their common mid-point with cross-correlation method (CMPCC), they cross-correlate traces sharing CMP locations before determining phase velocity dispersion. Another recent approach to subsoil structure exploration is based on seismic interferometry. It has been shown that cross-correlation of a diffuse field, such as seismic noise, allows the estimation of the Green's Function between two receivers. Thus, a virtual-source seismic section may be constructed from the cross-correlation of seismic noise records obtained in a line of receivers. In this paper, we use the seismic interferometry method to process seismic noise records obtained in seismic refraction lines of 24 geophones, and analyse the results using CMPCC to increase the lateral resolution of the results. Cross-correlation of the noise records allows reconstructing seismic sections with virtual sources at each receiver location. The Rayleigh wave component of the Green's Functions is obtained with a high signal-to-noise ratio. Using CMPCC analysis of the virtual-source seismic lines, we are able to identify lateral variations of phase velocity inside the seismic line, and increase the lateral resolution compared with results of conventional analysis.

Thermal protection system gap analysis using a loosely coupled fluid-structural thermal numerical method

NASA Astrophysics Data System (ADS)

Huang, Jie; Li, Piao; Yao, Weixing

2018-05-01

A loosely coupled fluid-structural thermal numerical method is introduced for the thermal protection system (TPS) gap thermal control analysis in this paper. The aerodynamic heating and structural thermal are analyzed by computational fluid dynamics (CFD) and numerical heat transfer (NHT) methods respectively. An interpolation algorithm based on the control surface is adopted for the data exchanges on the coupled surface. In order to verify the analysis precision of the loosely coupled method, a circular tube example was analyzed, and the wall temperature agrees well with the test result. TPS gap thermal control performance was studied by the loosely coupled method successfully. The gap heat flux is mainly distributed in the small region at the top of the gap which is the high temperature region. Besides, TPS gap temperature and the power of the active cooling system (CCS) calculated by the traditional uncoupled method are higher than that calculated by the coupled method obviously. The reason is that the uncoupled method doesn't consider the coupled effect between the aerodynamic heating and structural thermal, however the coupled method considers it, so TPS gap thermal control performance can be analyzed more accurately by the coupled method.

Autogenous teeth used for bone grafting: a comparison with traditional grafting materials.

PubMed

Kim, Young-Kyun; Kim, Su-Gwan; Yun, Pil-Young; Yeo, In-Sung; Jin, Seung-Chan; Oh, Ji-Su; Kim, Heung-Joong; Yu, Sun-Kyoung; Lee, Sook-Young; Kim, Jae-Sung; Um, In-Woong; Jeong, Mi-Ae; Kim, Gyung-Wook

2014-01-01

This study evaluated the surface structures and physicochemical characteristics of a novel autogenous tooth bone graft material currently in clinical use. The material's surface structure was compared with a variety of other bone graft materials via scanning electron microscope (SEM). The crystalline structure of the autogenous tooth bone graft material from the crown (AutoBT crown) and root (AutoBT root), xenograft (BioOss), alloplastic material (MBCP), allograft (ICB), and autogenous mandibular cortical bone were compared using x-ray diffraction (XRD) analysis. The solubility of each material was measured with the Ca/P dissolution test. The results of the SEM analysis showed that the pattern associated with AutoBT was similar to that from autogenous cortical bones. In the XRD analysis, AutoBT root and allograft showed a low crystalline structure similar to that of autogenous cortical bones. In the CaP dissolution test, the amount of calcium and phosphorus dissolution in AutoBT was significant from the beginning, while displaying a pattern similar to that of autogenous cortical bones. In conclusion, autogenous tooth bone graft materials can be considered to have physicochemical characteristics similar to those of autogenous bones. Copyright © 2014 Elsevier Inc. All rights reserved.

Molecular Eigensolution Symmetry Analysis and Fine Structure

PubMed Central

Harter, William G.; Mitchell, Justin C.

2013-01-01

Spectra of high-symmetry molecules contain fine and superfine level cluster structure related to J-tunneling between hills and valleys on rovibronic energy surfaces (RES). Such graphic visualizations help disentangle multi-level dynamics, selection rules, and state mixing effects including widespread violation of nuclear spin symmetry species. A review of RES analysis compares it to that of potential energy surfaces (PES) used in Born–Oppenheimer approximations. Both take advantage of adiabatic coupling in order to visualize Hamiltonian eigensolutions. RES of symmetric and D2 asymmetric top rank-2-tensor Hamiltonians are compared with Oh spherical top rank-4-tensor fine-structure clusters of 6-fold and 8-fold tunneling multiplets. Then extreme 12-fold and 24-fold multiplets are analyzed by RES plots of higher rank tensor Hamiltonians. Such extreme clustering is rare in fundamental bands but prevalent in hot bands, and analysis of its superfine structure requires more efficient labeling and a more powerful group theory. This is introduced using elementary examples involving two groups of order-6 (C6 and D3~C3v), then applied to families of Oh clusters in SF6 spectra and to extreme clusters. PMID:23344041

Study on evaluation methods for Rayleigh wave dispersion characteristic

USGS Publications Warehouse

Shi, L.; Tao, X.; Kayen, R.; Shi, H.; Yan, S.

2005-01-01

The evaluation of Rayleigh wave dispersion characteristic is the key step for detecting S-wave velocity structure. By comparing the dispersion curves directly with the spectra analysis of surface waves (SASW) method, rather than comparing the S-wave velocity structure, the validity and precision of microtremor-array method (MAM) can be evaluated more objectively. The results from the China - US joint surface wave investigation in 26 sites in Tangshan, China, show that the MAM has the same precision with SASW method in 83% of the 26 sites. The MAM is valid for Rayleigh wave dispersion characteristic testing and has great application potentiality for site S-wave velocity structure detection.

Effect of the Parameters of Gas-Powder Laser Surfacing on the Structural Characteristics of Reconditioned Surface Layer of Corrosion-Resistant Steels

NASA Astrophysics Data System (ADS)

Krylova, S. E.; Oplesnin, S. P.; Manakov, N. A.; Yasakov, A. S.; Strizhov, A. O.

2018-01-01

Results of the developed commercial process for reconditioning the surface of corrosion-resistant steels by the method of laser surfacing are presented. A comparative analysis of the microstructures of the deposited wear-resistant layer, of the zone of fusion with the matrix material and of the diffusion zone after different variants of surfacing is performed. The hardness of the deposited layer is measured and a nondestructive inspection of the latter for the presence of flaws is performed.

Multidisciplinary Thermal Analysis of Hot Aerospace Structures

DTIC Science & Technology

2010-05-02

Seidel iteration. Such a strategy simplifies explicit/implicit treatment , subcycling, load balancing, software modularity, and replacements as better... Stefan -Boltzmann constant , E is the emissivity of the surface, f is the form factor from the surface to the reference surface, Br is the temperature of...Stokes equations using Gauss- Seidel line Relaxation, Computers and Fluids, 17, pp.l35-150, 1989. [22] Hung C.M. and MacCormack R.W., Numerical

Slip-additive migration, surface morphology, and performance on injection moulded high-density polyethylene closures.

PubMed

Dulal, Nabeen; Shanks, Robert; Gengenbach, Thomas; Gill, Harsharn; Chalmers, David; Adhikari, Benu; Pardo Martinez, Isaac

2017-11-01

The amount and distribution of slip agents, erucamide, and behenamide, on the surface of high-density polyethene, is determined by integral characteristics of slip agent structure and polymer morphology. A suite of surface analysis techniques was applied to correlate physicochemical properties with slip-additive migration behaviour and their surface morphology. The migration, surface morphology and physicochemical properties of the slip additives, crystallinity and orientation of polyethene spherulites and interaction between slip additives and high-density polyethene influence the surface characteristics. The high-density polyethene closures were produced with erucamide and behenamide separately and stored until they produced required torque. Surface composition was determined employing spectroscopy and gas chromatography. The distribution of additives was observed under optical, scanning electron and atomic force microscopes. The surface energy, crystallinity and application torque were measured using contact angle, differential scanning calorimeter and a torque force tester respectively. Each slip additive produced a characteristic amide peak at 1645cm -1 in infrared spectroscopy and peaks of oxygen and nitrogen in X-ray photoelectron spectroscopy, suggesting their presence on the surface. The erucamide produced placoid scale-like structures and behenamide formed denticulate structures. The surface erucamide and behenamide responsible for reducing the torque was found to be 15.7µg/cm 2 and 1.7µg/cm 2 . Copyright © 2017 Elsevier Inc. All rights reserved.

Generation of wavy structure on lipid membrane by peripheral proteins: a linear elastic analysis.

PubMed

Mahata, Paritosh; Das, Sovan Lal

2017-05-01

We carry out a linear elastic analysis to study wavy structure generation on lipid membrane by peripheral membrane proteins. We model the lipid membrane as linearly elastic and anisotropic material. The hydrophobic insertion by proteins into the lipid membrane has been idealized as penetration of rigid rod-like inclusions into the membrane and the electrostatic interaction between protein and membrane has been modeled by a distributed surface traction acting on the membrane surface. With the proposed model we study curvature generation by several binding domains of peripheral membrane proteins containing BAR domains and amphipathic alpha-helices. It is observed that electrostatic interaction is essential for curvature generation by the BAR domains. © 2017 Federation of European Biochemical Societies.

Structural and optical properties of antimony-germanate-borate glass and glass fiber co-doped Eu3+ and Ag nanoparticles.

PubMed

Zmojda, Jacek; Kochanowicz, Marcin; Miluski, Piotr; Baranowska, Agata; Pisarski, Wojciech A; Pisarska, Joanna; Jadach, Renata; Sitarz, Maciej; Dorosz, Dominik

2018-08-05

In the paper analysis of structural and luminescent properties of antimony-germanate-borate glasses and glass fiber co-doped with 0.6AgNO 3 /0.2Eu 2 O 3 are presented. Heat treatment of the fabricated glass and optical fiber (400 °C, 12 h) enabled to obtain Ag nanoparticles (NPs) with average size 30-50 nm on their surface. It has been proofed that silver ions migrate to the glass surface, where they are reduced to Ag 0 nanoparticles. Simultaneously, FTIR analysis showed that heat treatment of the glass and optical fiber increases the local symmetry of the Eu 3+ site. Copyright © 2018 Elsevier B.V. All rights reserved.

STEM-EELS analysis of multipole surface plasmon modes in symmetry-broken AuAg nanowire dimers

NASA Astrophysics Data System (ADS)

Schubert, Ina; Sigle, Wilfried; van Aken, Peter A.; Trautmann, Christina; Toimil-Molares, Maria Eugenia

2015-03-01

Surface plasmon coupling in nanowires separated by small gaps generates high field enhancements at the position of the gap and is thus of great interest for sensing applications. It is known that the nanowire dimensions and in particular the symmetry of the structures has strong influence on the plasmonic properties of the dimer structure. Here, we report on multipole surface plasmon coupling in symmetry-broken AuAg nanowire dimers. Our dimers, consisting of two nanowires with different lengths and separated by gaps of only 10 to 30 nm, were synthesized by pulsed electrochemical deposition in ion track-etched polymer templates. Electron energy-loss spectroscopy in scanning transmission electron microscopy allows us to resolve up to nine multipole order surface plasmon modes of these dimers spectrally separated from each other. The spectra evidence plasmon coupling between resonances of different multipole order, resulting in the generation of additional plasmonic modes. Since such complex structures require elaborated synthesis techniques, dimer structures with complex composition, morphology and shape are created. We demonstrate that finite element simulations on pure Au dimers can predict the generated resonances in the fabricated structures. The excellent agreement of our experiment on AuAg dimers with finite integration simulations using CST microwave studio manifests great potential to design complex structures for sensing applications.

Effect of gamma-irradiation of bovine serum albumin solution on the formation of zigzag film textures

NASA Astrophysics Data System (ADS)

Glibitskiy, Dmitriy M.; Gorobchenko, Olga A.; Nikolov, Oleg T.; Cheipesh, Tatiana A.; Roshal, Alexander D.; Zibarov, Artem M.; Shestopalova, Anna V.; Semenov, Mikhail A.; Glibitskiy, Gennadiy M.

2018-03-01

Formation of patterns on the surface of dried films of saline biopolymer solutions is influenced by many factors, including particle size and structure. Proteins may be modified under the influence of ionizing radiation. By irradiating protein solutions with gamma rays, it is possible to affect the formation of zigzag (Z) structures on the film surface. In our study, the films were obtained by desiccation of bovine serum albumin (BSA) solutions, which were irradiated by a 60Co gamma-source at doses ranging from 1 Gy to 12 kGy. The analysis of the resulting textures on the surface of the films was carried out by calculating the specific length of Z-structures. The results are compared against the absorption and fluorescence spectroscopy and dynamic light scattering (DLS) data. Gamma-irradiation of BSA solutions in the 1-200 Gy range practically does not influence the amount of Z-structures on the film surface. The decrease in fluorescence intensity and increase in absorbance intensity point to the destruction of BSA structure at 2 and 12 kGy, and DLS shows a more than 160% increase in particle size as a result of BSA aggregation at 2 kGy. This prevents the formation of Z-structures, which is reflected in the decrease of their specific length.

Surface determination through atomically resolved secondary-electron imaging

PubMed Central

Ciston, J.; Brown, H. G.; D'Alfonso, A. J.; Koirala, P.; Ophus, C.; Lin, Y.; Suzuki, Y.; Inada, H.; Zhu, Y.; Allen, L. J.; Marks, L. D.

2015-01-01

Unique determination of the atomic structure of technologically relevant surfaces is often limited by both a need for homogeneous crystals and ambiguity of registration between the surface and bulk. Atomically resolved secondary-electron imaging is extremely sensitive to this registration and is compatible with faceted nanomaterials, but has not been previously utilized for surface structure determination. Here we report a detailed experimental atomic-resolution secondary-electron microscopy analysis of the c(6 × 2) reconstruction on strontium titanate (001) coupled with careful simulation of secondary-electron images, density functional theory calculations and surface monolayer-sensitive aberration-corrected plan-view high-resolution transmission electron microscopy. Our work reveals several unexpected findings, including an amended registry of the surface on the bulk and strontium atoms with unusual seven-fold coordination within a typically high surface coverage of square pyramidal TiO5 units. Dielectric screening is found to play a critical role in attenuating secondary-electron generation processes from valence orbitals. PMID:26082275

Surface determination through atomically resolved secondary-electron imaging

DOE PAGES

Ciston, J.; Brown, H. G.; D’Alfonso, A. J.; ...

2015-06-17

We report that unique determination of the atomic structure of technologically relevant surfaces is often limited by both a need for homogeneous crystals and ambiguity of registration between the surface and bulk. Atomically resolved secondary-electron imaging is extremely sensitive to this registration and is compatible with faceted nanomaterials, but has not been previously utilized for surface structure determination. Here we show a detailed experimental atomic-resolution secondary-electron microscopy analysis of the c(6 x 2) reconstruction on strontium titanate (001) coupled with careful simulation of secondary-electron images, density functional theory calculations and surface monolayer-sensitive aberration-corrected plan-view high-resolution transmission electron microscopy. Our workmore » reveals several unexpected findings, including an amended registry of the surface on the bulk and strontium atoms with unusual seven-fold coordination within a typically high surface coverage of square pyramidal TiO 5 units. Lastly, dielectric screening is found to play a critical role in attenuating secondary-electron generation processes from valence orbitals.« less

Effect on structure and mechanical property of tungsten irradiated by high intensity pulsed ion beam

NASA Astrophysics Data System (ADS)

Mei, Xianxiu; Zhang, Xiaonan; Liu, Xiaofei; Wang, Younian

2017-09-01

The anti-thermal radiation performance of tungsten was investigated by high intensity pulsed ion beam technology. The ion beam was mainly composed of Cn+ (70%) and H+ (30%) at an acceleration voltage of 250 kV under different energy densities for different number of pulses. GIXRD analysis showed that no obvious phase structural changes occurred on the tungsten, and microstress generated. SEM analysis exhibited that there was no apparent irradiation damage on the surface of tungsten at the low irradiation frequency (3 times and 10 times) and at the low energy density (0.25 J/cm2 and 0.7 J/cm2). Cracks appeared on the surface of tungsten after 100-time and 300-time irradiation. Shedding phenomenon even appeared on the surface of tungsten at the energy densities of 1.4 J/cm2 and 2.0 J/cm2. The surface nano-hardness of tungsten decreased with the increase of the pulse times and the energy density. The tungsten has good anti-thermal radiation properties under certain heat load environment.

Structure evolution of zinc oxide thin films deposited by unbalance DC magnetron sputtering

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

Aryanto, Didik, E-mail: didi027@lipi.go.id; Materials Research Group, Physics Department, Universitas Negeri Semarang, Gunungpati, Semarang 50229 Jawa Tengah; Marwoto, Putut

Zinc oxide (ZnO) thin films are deposited on corning glass substrates using unbalanced DC magnetron sputtering. The effect of growth temperature on surface morphology and crystallographic orientation of ZnO thin film is studied using atomic force microscopy (AFM) and X-ray diffraction (XRD) techniques. The surface morphology and crystallographic orientation of ZnO thin film are transformed against the increasing of growth temperature. The mean grain size of film and the surface roughness are inversely and directly proportional towards the growth temperature from room temperature to 300 °C, respectively. The smaller grain size and finer roughness of ZnO thin film are obtainedmore » at growth temperature of 400 °C. The result of AFM analysis is in good agreement with the result of XRD analysis. ZnO thin films deposited in a series of growth temperatures have hexagonal wurtzite polycrystalline structures and they exhibit transformations in the crystallographic orientation. The results in this study reveal that the growth temperature strongly influences the surface morphology and crystallographic orientation of ZnO thin film.« less

EVOLUTION OF NEAR-SURFACE FLOWS INFERRED FROM HIGH-RESOLUTION RING-DIAGRAM ANALYSIS

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

Bogart, Richard S.; Baldner, Charles S.; Basu, Sarbani

2015-07-10

Ring-diagram analysis of acoustic waves observed at the photosphere can provide a relatively robust determination of the sub-surface flows at a particular time under a particular region. The depth of penetration of the waves is related to the size of the region, hence the depth extent of the measured flows is inversely proportional to the spatial resolution. Most ring-diagram analysis has focused on regions of extent ∼15° (180 Mm) or more in order to provide reasonable mode sets for inversions. Helioseismic and Magnetic Imager (HMI) data analysis also provides a set of ring fit parameters on a scale three timesmore » smaller. These provide flow estimates for the outer 1% (7 Mm) of the Sun only, with very limited depth resolution, but with spatial resolution adequate to map structures potentially associated with the belts and regions of magnetic activity. There are a number of systematic effects affecting the determination of flows from a local helioseismic analysis of regions over different parts of the observable disk, and not all of them are well understood. In this study we characterize those systematic effects with higher spatial resolution so that they may be accounted for more effectively in mapping the temporal and spatial evolution of the flows. Leaving open the question of the mean structure of the global meridional circulation and the differential rotation, we describe the near-surface flow anomalies in time and latitude corresponding to the torsional oscillation pattern in differential rotation and analogous patterns in the meridional cell structure as observed by the Solar Dynamics Observatory/HMI.« less

Toward smart aerospace structures: design of a piezoelectric sensor and its analog interface for flaw detection.

PubMed

Boukabache, Hamza; Escriba, Christophe; Fourniols, Jean-Yves

2014-10-31

Structural health monitoring using noninvasive methods is one of the major challenges that aerospace manufacturers face in this decade. Our work in this field focuses on the development and the system integration of millimetric piezoelectric sensors/ actuators to generate and measure specific guided waves. The aim of the application is to detect mechanical flaws on complex composite and alloy structures to quantify efficiently the global structures' reliability. The study begins by a physical and analytical analysis of a piezoelectric patch. To preserve the structure's integrity, the transducers are directly pasted onto the surface which leads to a critical issue concerning the interfacing layer. In order to improve the reliability and mitigate the influence of the interfacing layer, the global equations of piezoelectricity are coupled with a load transfer model. Thus we can determine precisely the shear strain developed on the surface of the structure. To exploit the generated signal, a high precision analog charge amplifier coupled to a double T notch filter were designed and scaled. Finally, a novel joined time-frequency analysis based on a wavelet decomposition algorithm is used to extract relevant structures signatures. Finally, this paper provides examples of application on aircraft structure specimens and the feasibility of the system is thus demonstrated.

Toward Smart Aerospace Structures: Design of a Piezoelectric Sensor and Its Analog Interface for Flaw Detection

PubMed Central

Boukabache, Hamza; Escriba, Christophe; Fourniols, Jean-Yves

2014-01-01

Structural health monitoring using noninvasive methods is one of the major challenges that aerospace manufacturers face in this decade. Our work in this field focuses on the development and the system integration of millimetric piezoelectric sensors/ actuators to generate and measure specific guided waves. The aim of the application is to detect mechanical flaws on complex composite and alloy structures to quantify efficiently the global structures' reliability. The study begins by a physical and analytical analysis of a piezoelectric patch. To preserve the structure's integrity, the transducers are directly pasted onto the surface which leads to a critical issue concerning the interfacing layer. In order to improve the reliability and mitigate the influence of the interfacing layer, the global equations of piezoelectricity are coupled with a load transfer model. Thus we can determine precisely the shear strain developed on the surface of the structure. To exploit the generated signal, a high precision analog charge amplifier coupled to a double T notch filter were designed and scaled. Finally, a novel joined time-frequency analysis based on a wavelet decomposition algorithm is used to extract relevant structures signatures. Finally, this paper provides examples of application on aircraft structure specimens and the feasibility of the system is thus demonstrated. PMID:25365457

Quantitative Protein Topography Analysis and High-Resolution Structure Prediction Using Hydroxyl Radical Labeling and Tandem-Ion Mass Spectrometry (MS)*

PubMed Central

Kaur, Parminder; Kiselar, Janna; Yang, Sichun; Chance, Mark R.

2015-01-01

Hydroxyl radical footprinting based MS for protein structure assessment has the goal of understanding ligand induced conformational changes and macromolecular interactions, for example, protein tertiary and quaternary structure, but the structural resolution provided by typical peptide-level quantification is limiting. In this work, we present experimental strategies using tandem-MS fragmentation to increase the spatial resolution of the technique to the single residue level to provide a high precision tool for molecular biophysics research. Overall, in this study we demonstrated an eightfold increase in structural resolution compared with peptide level assessments. In addition, to provide a quantitative analysis of residue based solvent accessibility and protein topography as a basis for high-resolution structure prediction; we illustrate strategies of data transformation using the relative reactivity of side chains as a normalization strategy and predict side-chain surface area from the footprinting data. We tested the methods by examination of Ca+2-calmodulin showing highly significant correlations between surface area and side-chain contact predictions for individual side chains and the crystal structure. Tandem ion based hydroxyl radical footprinting-MS provides quantitative high-resolution protein topology information in solution that can fill existing gaps in structure determination for large proteins and macromolecular complexes. PMID:25687570

In situ surface treatment of nanocrystalline MFe2O4 (M = Co, Mg, Mn, Ni) spinel ferrites using linseed oil

NASA Astrophysics Data System (ADS)

Gherca, Daniel; Cornei, Nicoleta; Mentré, Olivier; Kabbour, Houria; Daviero-Minaud, Sylvie; Pui, Aurel

2013-12-01

This paper reports the synthesis by coprecipitation method of MFe2O4 nanoparticles using linseed oil as the in-situ surfactant. The decomposition process of the precursors and the formation process of MFe2O4 were investigated by thermogravimetric analysis and differential thermal analysis (TG-DTA). The crystal structure and surface morphology were examined by means of X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM) analysis. The results demonstrate that the surface of MFe2O4 with a diameter in the range 5-13 nm, is activated with hydrophilic groups of the surfactant which coat them and enhance the stability. Magnetic properties are discussed.

Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.

2003-01-01

Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.

The X-Ray Crystal Structure of the Keratin 1-Keratin 10 Helix 2B Heterodimer Reveals Molecular Surface Properties and Biochemical Insights into Human Skin Disease

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

Bunick, Christopher G.; Milstone, Leonard M.

Keratins 1 (K1) and 10 (K10) are the primary keratins expressed in differentiated epidermis. Mutations in K1/K10 are associated with human skin diseases. We determined the crystal structure of the complex between the distal (2B) helices of K1 and K10 to better understand how human keratin structure correlates with function. The 3.3 Å resolution structure confirms many features inferred by previous biochemical analyses, but adds unexpected insights. It demonstrates a parallel, coiled-coil heterodimer with a predominantly hydrophobic intermolecular interface; this heterodimer formed a higher order complex with a second K1-K10-2B heterodimer via a Cys401K10 disulfide link, although the bond anglemore » is unanticipated. The molecular surface analysis of K1-K10-2B identified several pockets, one adjacent to the disulfide linkage and conserved in K5-K14. The solvent accessible surface area of the K1-K10 structure is 20–25% hydrophobic. The 2B region contains mixed acidic and basic patches proximally (N-terminal), whereas it is largely acidic distally (C-terminal). Mapping of conserved and nonconserved residues between K1-K10 and K5-K14 onto the structure demonstrated the majority of unique residues align along the outer helical ridge. Finally, the structure permitted a fresh analysis of the deleterious effects caused by K1/K10 missense mutations found in patients with phenotypic skin disease.« less

Advances in the Surface Renewal Flux Measurement Method

NASA Astrophysics Data System (ADS)

Shapland, T. M.; McElrone, A.; Paw U, K. T.; Snyder, R. L.

2011-12-01

The measurement of ecosystem-scale energy and mass fluxes between the planetary surface and the atmosphere is crucial for understanding geophysical processes. Surface renewal is a flux measurement technique based on analyzing the turbulent coherent structures that interact with the surface. It is a less expensive technique because it does not require fast-response velocity measurements, but only a fast-response scalar measurement. It is therefore also a useful tool for the study of the global cycling of trace gases. Currently, surface renewal requires calibration against another flux measurement technique, such as eddy covariance, to account for the linear bias of its measurements. We present two advances in the surface renewal theory and methodology that bring the technique closer to becoming a fully independent flux measurement method. The first advance develops the theory of turbulent coherent structure transport associated with the different scales of coherent structures. A novel method was developed for identifying the scalar change rate within structures at different scales. Our results suggest that for canopies less than one meter in height, the second smallest coherent structure scale dominates the energy and mass flux process. Using the method for resolving the scalar exchange rate of the second smallest coherent structure scale, calibration is unnecessary for surface renewal measurements over short canopies. This study forms the foundation for analysis over more complex surfaces. The second advance is a sensor frequency response correction for measuring the sensible heat flux via surface renewal. Inexpensive fine-wire thermocouples are frequently used to record high frequency temperature data in the surface renewal technique. The sensible heat flux is used in conjunction with net radiation and ground heat flux measurements to determine the latent heat flux as the energy balance residual. The robust thermocouples commonly used in field experiments underestimate the sensible heat flux, yielding results that are less than 50% of the sensible heat flux measured with finer sensors. We present the methodology for correcting the thermocouple signal to avoid underestimating the heat flux at both the smallest and the second smallest coherent structure scale.

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.

Shear wave velocity model beneath CBJI station West Java, Indonesia from joint inversion of teleseismic receiver functions and surface wave dispersion

NASA Astrophysics Data System (ADS)

Simanungkalit, R. H.; Anggono, T.; Syuhada; Amran, A.; Supriyanto

2018-03-01

Earthquake signal observations around the world allow seismologists to obtain the information of internal structure of the Earth especially the Earth’s crust. In this study, we used joint inversion of receiver functions and surface wave group velocities to investigate crustal structure beneath CBJI station in West Java, Indonesia. Receiver function were calculated from earthquakes with magnitude more than 5 and at distance 30°-90°. Surface wave group velocities were calculated using frequency time analysis from earthquakes at distance of 30°- 40°. We inverted shear wave velocity model beneath the station by conducting joint inversion from receiver functions and surface wave dispersions. We suggest that the crustal thickness beneath CBJI station, West Java, Indonesia is about 35 km.

Epitaxial Growth of an Organic p-n Heterojunction: C60 on Single-Crystal Pentacene.

PubMed

Nakayama, Yasuo; Mizuno, Yuta; Hosokai, Takuya; Koganezawa, Tomoyuki; Tsuruta, Ryohei; Hinderhofer, Alexander; Gerlach, Alexander; Broch, Katharina; Belova, Valentina; Frank, Heiko; Yamamoto, Masayuki; Niederhausen, Jens; Glowatzki, Hendrik; Rabe, Jürgen P; Koch, Norbert; Ishii, Hisao; Schreiber, Frank; Ueno, Nobuo

2016-06-01

Designing molecular p-n heterojunction structures, i.e., electron donor-acceptor contacts, is one of the central challenges for further development of organic electronic devices. In the present study, a well-defined p-n heterojunction of two representative molecular semiconductors, pentacene and C60, formed on the single-crystal surface of pentacene is precisely investigated in terms of its growth behavior and crystallographic structure. C60 assembles into a (111)-oriented face-centered-cubic crystal structure with a specific epitaxial orientation on the (001) surface of the pentacene single crystal. The present experimental findings provide molecular scale insights into the formation mechanisms of the organic p-n heterojunction through an accurate structural analysis of the single-crystalline molecular contact.

Analytical coupled-wave model for photonic crystal surface-emitting quantum cascade lasers.

PubMed

Wang, Zhixin; Liang, Yong; Yin, Xuefan; Peng, Chao; Hu, Weiwei; Faist, Jérôme

2017-05-15

An analytical coupled-wave model is developed for surface-emitting photonic-crystal quantum cascade lasers (PhC-QCLs). This model provides an accurate and efficient analysis of full three-dimensional device structure with large-area cavity size. Various laser properties of interest including the band structure, mode frequency, cavity loss, mode intensity profile, and far field pattern (FFP), as well as their dependence on PhC structures and cavity size, are investigated. Comparison with numerical simulations confirms the accuracy and validity of our model. The calculated FFP and polarization profile well explain the previously reported experimental results. In particular, we reveal the possibility of switching the lasing modes and generating single-lobed FFP by properly tuning PhC structures.

Thermoelastic Stress Analysis: An NDE Tool for the Residual Stress Assessment of Metallic Alloys

NASA Technical Reports Server (NTRS)

Gyekenyesi, Andrew L.; Baaklini, George Y.

2000-01-01

During manufacturing, certain propulsion components that will be used in a cyclic fatigue environment are fabricated to contain compressive residual stresses on their surfaces because these stresses inhibit the nucleation of cracks. Overloads and elevated temperature excursions cause the induced residual stresses to dissipate while the component is still in service, lowering its resistance to crack initiation. Research at the NASA Glenn Research Center at Lewis Field has focused on employing the Thermoelastic Stress Analysis technique (TSA, also recognized as SPATE: Stress Pattern Analysis by Thermal Emission) as a tool for monitoring the residual stress state of propulsion components. TSA is based on the fact that materials experience small temperature changes when they are compressed or expanded. When a structure is cyclically loaded (i.e., cyclically compressed and expanded), the resulting surface-temperature profile correlates to the stress state of the structure s surface. The surface-temperature variations resulting from a cyclic load are measured with an infrared camera. Traditionally, the temperature amplitude of a TSA signal has been theoretically defined to be linearly dependent on the cyclic stress amplitude. As a result, the temperature amplitude resulting from an applied cyclic stress was assumed to be independent of the cyclic mean stress.

Gradient changes in structural condition of the B2 phase of NiTi surface layers after electron-beam treatments

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

Meisner, Ludmila L., E-mail: llm@ispms.tsc.ru, E-mail: egu@ispms.tsc.ru; Gudimova, Ekaterina Yu., E-mail: llm@ispms.tsc.ru, E-mail: egu@ispms.tsc.ru; Ostapenko, Marina G., E-mail: artifact@ispms.tsc.ru

2014-11-14

Structural conditions of the B2 phase of the Ti{sub 49.5}Ni{sub 50.5} alloy surface layers before and after electron-beam treatments (pulse duration τ = 150 μs, number of pulses n = 5, beam energy density E ≤ 20 J/cm{sup 2}) were studied by X-ray diffraction analysis. Analysis of the X-ray patterns demonstrates that surface layers modified by electron beam treatment contain phase with B2{sup surf} structure. It is revealed that the lattice parameter of the B2{sup surf} phase in the surface (modified) layer is also higher than the lattice parameter of the B2 phase in the underlying layer (a{sub B2} = 3.0159±0.0005). Themore » values of lattice parameter of phase B2{sup surf} amounted a{sub B2}{sup surf} = 3.0316±0.0005 Å and a{sub B2}{sup surf} = 3.0252±0.0005 Å, for the specimens after electron-beam treatment at E{sub 1} = 15 J/cm{sup 2} and E{sub 2} = 20 J/cm{sup 2}, respectively. Inflated lattice parameters a{sub B2}{sup surf} are associated with changes in the chemical composition and the presence of residual stresses in the surface region of the samples after electron-beam treatments.« less

SFG analysis of the molecular structures at the surfaces and buried interfaces of PECVD ultralow-dielectric constant pSiCOH

NASA Astrophysics Data System (ADS)

Zhang, Xiaoxian; Myers, John N.; Huang, Huai; Shobha, Hosadurga; Chen, Zhan; Grill, Alfred

2016-02-01

PECVD deposited porous SiCOH with ultralow dielectric constant has been successfully integrated as the insulator in advanced interconnects to decrease the RC delay. The effects of NH3 plasma treatment and the effectiveness of the dielectric repair on molecular structures at the surface and buried interface of a pSiCOH film deposited on top of a SiCNH film on a Si wafer were fully characterized using sum frequency generation vibrational spectroscopy (SFG), supplemented by X-ray photoelectron spectroscopy. After exposure to NH3 plasma for 18 s, about 40% of the methyl groups were removed from the pSiCOH surface, and the average orientation of surface methyl groups tilted more towards the surface. The repair method used here effectively repaired the molecular structures at the pSiCOH surface but did not totally recover the entire plasma-damaged layer. Additionally, simulated SFG spectra with various average orientations of methyl groups at the SiCNH/pSiCOH buried interface were compared with the experimental SFG spectra collected using three different laser input angles to determine the molecular structural information at the SiCNH/pSiCOH buried interface after NH3 plasma treatment and repair. The molecular structures including the coverage and the average orientation of methyl groups at the buried interface were found to be unchanged by NH3 plasma treatment and repair.

Vibration and stress analysis of soft-bonded shuttle insulation tiles. Modal analysis with compact widely space stringers

NASA Technical Reports Server (NTRS)

Ojalvo, I. U.; Austin, F.; Levy, A.

1974-01-01

An efficient iterative procedure is described for the vibration and modal stress analysis of reusable surface insulation (RSI) of multi-tiled space shuttle panels. The method, which is quite general, is rapidly convergent and highly useful for this application. A user-oriented computer program based upon this procedure and titled RESIST (REusable Surface Insulation Stresses) has been prepared for the analysis of compact, widely spaced, stringer-stiffened panels. RESIST, which uses finite element methods, obtains three dimensional tile stresses in the isolator, arrestor (if any) and RSI materials. Two dimensional stresses are obtained in the tile coating and the stringer-stiffened primary structure plate. A special feature of the program is that all the usual detailed finite element grid data is generated internally from a minimum of input data. The program can accommodate tile idealizations with up to 850 nodes (2550 degrees-of-freedom) and primary structure idealizations with a maximum of 10,000 degrees-of-freedom. The primary structure vibration capability is achieved through the development of a new rapid eigenvalue program named ALARM (Automatic LArge Reduction of Matrices to tridiagonal form).

Experimental strain modal analysis for beam-like structure by using distributed fiber optics and its damage detection

NASA Astrophysics Data System (ADS)

Cheng, Liangliang; Busca, Giorgio; Cigada, Alfredo

2017-07-01

Modal analysis is commonly considered as an effective tool to obtain the intrinsic characteristics of structures including natural frequencies, modal damping ratios, and mode shapes, which are significant indicators for monitoring the health status of engineering structures. The complex mode indicator function (CMIF) can be regarded as an effective numerical tool to perform modal analysis. In this paper, experimental strain modal analysis based on the CMIF has been introduced. Moreover, a distributed fiber-optic sensor, as a dense measuring device, has been applied to acquire strain data along a beam surface. Thanks to the dense spatial resolution of the distributed fiber optics, more detailed mode shapes could be obtained. In order to test the effectiveness of the method, a mass lump—considered as a linear damage component—has been attached to the surface of the beam, and damage detection based on strain mode shape has been carried out. The results manifest that strain modal parameters can be estimated effectively by utilizing the CMIF based on the corresponding simulations and experiments. Furthermore, damage detection based on strain mode shapes benefits from the accuracy of strain mode shape recognition and the excellent performance of the distributed fiber optics.

Internal Structure of a Lobate Debris Apron Complex in Eastern Hellas: Evidence for Multiple Mid-Latitude Glaciations on Mars

NASA Astrophysics Data System (ADS)

Quartini, E.; Holt, J. W.; Brothers, T. C.

2011-03-01

The past depositional history of a lobate debris apron complex in eastern Hellas has been investigated by conducting a combined analysis of its surface morphology and subsurface structure using a CTX mosaic and orbital radar sounding data from SHARAD.

The error structure of the SMAP single and dual channel soil moisture retrievals

USDA-ARS?s Scientific Manuscript database

Knowledge of the temporal error structure for remotely-sensed surface soil moisture retrievals can improve our ability to exploit them for hydrology and climate studies. This study employs a triple collocation type analysis to investigate both the total variance and temporal auto-correlation of erro...

Exploring the relationships between epistemic beliefs about medicine and approaches to learning medicine: a structural equation modeling analysis.

PubMed

Chiu, Yen-Lin; Liang, Jyh-Chong; Hou, Cheng-Yen; Tsai, Chin-Chung

2016-07-18

Students' epistemic beliefs may vary in different domains; therefore, it may be beneficial for medical educators to better understand medical students' epistemic beliefs regarding medicine. Understanding how medical students are aware of medical knowledge and how they learn medicine is a critical issue of medical education. The main purposes of this study were to investigate medical students' epistemic beliefs relating to medical knowledge, and to examine their relationships with students' approaches to learning medicine. A total of 340 undergraduate medical students from 9 medical colleges in Taiwan were surveyed with the Medical-Specific Epistemic Beliefs (MSEB) questionnaire (i.e., multi-source, uncertainty, development, justification) and the Approach to Learning Medicine (ALM) questionnaire (i.e., surface motive, surface strategy, deep motive, and deep strategy). By employing the structural equation modeling technique, the confirmatory factor analysis and path analysis were conducted to validate the questionnaires and explore the structural relations between these two constructs. It was indicated that medical students with multi-source beliefs who were suspicious of medical knowledge transmitted from authorities were less likely to possess a surface motive and deep strategies. Students with beliefs regarding uncertain medical knowledge tended to utilize flexible approaches, that is, they were inclined to possess a surface motive but adopt deep strategies. Students with beliefs relating to justifying medical knowledge were more likely to have mixed motives (both surface and deep motives) and mixed strategies (both surface and deep strategies). However, epistemic beliefs regarding development did not have significant relations with approaches to learning. Unexpectedly, it was found that medical students with sophisticated epistemic beliefs (e.g., suspecting knowledge from medical experts) did not necessarily engage in deep approaches to learning medicine. Instead of a deep approach, medical students with sophisticated epistemic beliefs in uncertain and justifying medical knowledge intended to employ a flexible approach and a mixed approach, respectively.

Thermal Deformation and RF Performance Analyses for the SWOT Large Deployable Ka-Band Reflectarray

NASA Technical Reports Server (NTRS)

Fang, H.; Sunada, E.; Chaubell, J.; Esteban-Fernandez, D.; Thomson, M.; Nicaise, F.

2010-01-01

A large deployable antenna technology for the NASA Surface Water and Ocean Topography (SWOT) Mission is currently being developed by JPL in response to NRC Earth Science Tier 2 Decadal Survey recommendations. This technology is required to enable the SWOT mission due to the fact that no currently available antenna is capable of meeting SWOT's demanding Ka-Band remote sensing requirements. One of the key aspects of this antenna development is to minimize the effect of the on-orbit thermal distortion to the antenna RF performance. An analysis process which includes: 1) the on-orbit thermal analysis to obtain the temperature distribution; 2) structural deformation analysis to get the geometry of the antenna surface; and 3) the RF performance with the given deformed antenna surface has been developed to accommodate the development of this antenna technology. The detailed analysis process and some analysis results will be presented and discussed by this paper.

Water vapor weathering of Taurus-Littrow orange soil - A pore-structure analysis

NASA Technical Reports Server (NTRS)

Cadenhead, D. A.; Mikhail, R. S.

1975-01-01

A pore-volume analysis was performed on water vapor adsorption data previously obtained on a fresh sample of Taurus-Littrow orange soil, and the analysis was repeated on the same sample after its exposure to moist air for a period of approximately six months. The results indicate that exposure of an outgassed sample to high relative pressures of water vapor can result in the formation of substantial micropore structure, the precise amount being dependent on the sample pretreatment, particularly the outgassing temperature. Micropore formation is explained in terms of water penetration into surface defects. In contrast, long-term exposure to moist air at low relative pressures appears to reverse the process with the elimination of micropores and enlargement of mesopores possibly through surface diffusion of metastable adsorbent material. The results are considered with reference to the storage of lunar samples.

Design and Analysis of a Micromechanical Three-Component Force Sensor for Characterizing and Quantifying Surface Roughness

NASA Astrophysics Data System (ADS)

Liang, Q.; Wu, W.; Zhang, D.; Wei, B.; Sun, W.; Wang, Y.; Ge, Y.

2015-10-01

Roughness, which can represent the trade-off between manufacturing cost and performance of mechanical components, is a critical predictor of cracks, corrosion and fatigue damage. In order to measure polished or super-finished surfaces, a novel touch probe based on three-component force sensor for characterizing and quantifying surface roughness is proposed by using silicon micromachining technology. The sensor design is based on a cross-beam structure, which ensures that the system possesses high sensitivity and low coupling. The results show that the proposed sensor possesses high sensitivity, low coupling error, and temperature compensation function. The proposed system can be used to investigate micromechanical structures with nanometer accuracy.

Analysis of material particle motion and optimizing parameters of vibration of two-mass GZS vibratory feeder

NASA Astrophysics Data System (ADS)

Nguyen, Van Xo; Golikov, N. S.

2018-05-01

The structure and kinematics of the two-mass GZS vibratory feeder operation are considered. It is established that the movement of the material's particles on the feeder surface determines its capacity. The development and analysis of the mathematical model of material's particle movement on the two-mass GZS vibratory feeder surface are shown. The results of Matlab optimization of material particles velocity function are given that allows setting rational kinematics of the feeder.

Integrated multidisciplinary analysis of segmented reflector telescopes

NASA Technical Reports Server (NTRS)

Briggs, Hugh C.; Needels, Laura

1992-01-01

The present multidisciplinary telescope-analysis approach, which encompasses thermal, structural, control and optical considerations, is illustrated for the case of an IR telescope in LEO; attention is given to end-to-end evaluations of the effects of mechanical disturbances and thermal gradients in measures of optical performance. Both geometric ray-tracing and surface-to-surface diffraction approximations are used in the telescope's optical model. Also noted is the role played by NASA-JPL's Integrated Modeling of Advanced Optical Systems computation tool, in view of numerical samples.

The Large-scale Coronal Structure of the 2017 August 21 Great American Eclipse: An Assessment of Solar Surface Flux Transport Model Enabled Predictions and Observations

NASA Astrophysics Data System (ADS)

Nandy, Dibyendu; Bhowmik, Prantika; Yeates, Anthony R.; Panda, Suman; Tarafder, Rajashik; Dash, Soumyaranjan

2018-01-01

On 2017 August 21, a total solar eclipse swept across the contiguous United States, providing excellent opportunities for diagnostics of the Sun’s corona. The Sun’s coronal structure is notoriously difficult to observe except during solar eclipses; thus, theoretical models must be relied upon for inferring the underlying magnetic structure of the Sun’s outer atmosphere. These models are necessary for understanding the role of magnetic fields in the heating of the corona to a million degrees and the generation of severe space weather. Here we present a methodology for predicting the structure of the coronal field based on model forward runs of a solar surface flux transport model, whose predicted surface field is utilized to extrapolate future coronal magnetic field structures. This prescription was applied to the 2017 August 21 solar eclipse. A post-eclipse analysis shows good agreement between model simulated and observed coronal structures and their locations on the limb. We demonstrate that slow changes in the Sun’s surface magnetic field distribution driven by long-term flux emergence and its evolution governs large-scale coronal structures with a (plausibly cycle-phase dependent) dynamical memory timescale on the order of a few solar rotations, opening up the possibility for large-scale, global corona predictions at least a month in advance.

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.

Effects of farmhouse hotel and paper mill effluents on bacterial community structures in sediment and surface water of Nanxi River, China.

PubMed

Lu, Xiao-Ming; Lu, Peng-Zhen

2014-11-01

The pyrosequencing technique was used to evaluate bacterial community structures in sediment and surface water samples taken from Nanxi River receiving effluents from a paper mill and a farmhouse hotel, respectively. For each sample, 4,610 effective bacterial sequences were selected and used to do the analysis of diversity and abundance, respectively. Bacterial phylotype richness in the sediment sample without effluent input was higher than the other samples, and the surface water sample with addition of effluent from the paper mill contained the least richness. Effluents from both the paper mill and farmhouse hotel have a potential to reduce the bacterial diversity and abundance in the sediment and surface water, especially it is more significant in the sediment. The effect of the paper mill effluent on the sediment and surface water bacterial communities was more serious than that of the farmhouse hotel effluent. Characterization of microbial community structures in the sediment and surface water from two tributaries of the downstream river indicated that various effluents from the paper mill and farmhouse hotel have the similar potential to decrease the natural variability in riverine microbial ecosystems.

Structure Line Detection from LIDAR Point Clouds Using Topological Elevation Analysis

NASA Astrophysics Data System (ADS)

Lo, C. Y.; Chen, L. C.

2012-07-01

Airborne LIDAR point clouds, which have considerable points on object surfaces, are essential to building modeling. In the last two decades, studies have developed different approaches to identify structure lines using two main approaches, data-driven and modeldriven. These studies have shown that automatic modeling processes depend on certain considerations, such as used thresholds, initial value, designed formulas, and predefined cues. Following the development of laser scanning systems, scanning rates have increased and can provide point clouds with higher point density. Therefore, this study proposes using topological elevation analysis (TEA) to detect structure lines instead of threshold-dependent concepts and predefined constraints. This analysis contains two parts: data pre-processing and structure line detection. To preserve the original elevation information, a pseudo-grid for generating digital surface models is produced during the first part. The highest point in each grid is set as the elevation value, and its original threedimensional position is preserved. In the second part, using TEA, the structure lines are identified based on the topology of local elevation changes in two directions. Because structure lines can contain certain geometric properties, their locations have small relieves in the radial direction and steep elevation changes in the circular direction. Following the proposed approach, TEA can be used to determine 3D line information without selecting thresholds. For validation, the TEA results are compared with those of the region growing approach. The results indicate that the proposed method can produce structure lines using dense point clouds.

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.

Spectromicroscopy measurements of surface morphology and band structure of exfoliated graphene

NASA Astrophysics Data System (ADS)

Knox, Kevin; Locatelli, Andrea; Cvetko, Dean; Mentes, Tevfik; Nino, Miguel; Wang, Shancai; Yilmaz, Mehmet; Kim, Philip; Osgood, Richard; Morgante, Alberto

2011-03-01

Monolayer-thick crystals, such as graphene, are an area of intense interest in condensed matter research. ~However, crystal deformations in these 2D systems are known to adversely affect conductivity and increase local chemical reactivity. Additionally, surface roughness in graphene complicates band-mapping and limits resolution in techniques such as angle resolved photoemission spectroscopy (ARPES), the theory of which was developed for atomically flat surfaces. Thus, an understanding of the surface morphology of graphene is essential to making high quality devices and important for interpreting ARPES results. In this talk, we will describe a non-invasive approach to examining the corrugation in exfoliated graphene using a combination of low energy electron microscopy (LEEM) and micro-spot low energy electron diffraction (LEED). We will also describe how such knowledge of surface roughness can be used in the analysis of ARPES data to improve resolution and extract useful information about the band-structure.

Prediction of the interaction site on the surface of an isolated protein structure by analysis of side chain energy scores.

PubMed

Liang, Shide; Zhang, Jian; Zhang, Shicui; Guo, Huarong

2004-11-15

We show that residues at the interfaces of protein-protein complexes have higher side-chain energy than other surface residues. Eight different sets of protein complexes were analyzed. For each protein pair, the complex structure was used to identify the interface residues in the unbound monomer structures. Side-chain energy was calculated for each surface residue in the unbound monomer using our previously developed scoring function.1 The mean energy was calculated for the interface residues and the other surface residues. In 15 of the 16 monomers, the mean energy of the interface residues was higher than that of other surface residues. By decomposing the scoring function, we found that the energy term of the buried surface area of non-hydrogen-bonded hydrophilic atoms is the most important factor contributing to the high energy of the interface regions. In spite of lacking hydrophilic residues, the interface regions were found to be rich in buried non-hydrogen-bonded hydrophilic atoms. Although the calculation results could be affected by the inaccuracy of the scoring function, patch analysis of side-chain energy on the surface of an isolated protein may be helpful in identifying the possible protein-protein interface. A patch was defined as 20 residues surrounding the central residue on the protein surface, and patch energy was calculated as the mean value of the side-chain energy of all residues in the patch. In 12 of the studied monomers, the patch with the highest energy overlaps with the observed interface. The results are more remarkable when only three residues with the highest energy in a patch are averaged to derive the patch energy. All three highest-energy residues of the top energy patch belong to interfacial residues in four of the eight small protomers. We also found that the residue with the highest energy score on the surface of a small protomer is very possibly the key interaction residue. (c) 2004 Wiley-Liss, Inc.

Structure Evolution and Distributions of Grain-Boundary Misorientainons in Submicrocrystalline Molybdenum Irradiated with a Pulsed Electron Beam

NASA Astrophysics Data System (ADS)

Stepanova, E. N.; Grabovetskaya, G. P.; Teresov, A. D.; Mishin, I. P.

2018-05-01

Using the methods of electron backscatter diffraction, electron microscopy and X-ray diffraction analysis, it is demonstrated that irradiation of the surface of a submicrocrystalline molybdenum specimen with a pulsed electron beam in a non-melt regime results in the formation of a gradient structure in its bulk. The irradiation temperature is shown to affect the density of defects, the value of stress, and the distributions of grain-boundary misorientations in the surface and bulk of the submicrocrystalline molybdenum specimens.

Crystal structures of CaSiO3 polymorphs control growth and osteogenic differentiation of human mesenchymal stem cells on bioceramic surfaces.

PubMed

Zhang, Nianli; Molenda, James A; Mankoci, Steven; Zhou, Xianfeng; Murphy, William L; Sahai, Nita

2013-10-01

The repair and replacement of damaged or diseased human bone tissue requires a stable interface between the orthopedic implant and living tissue. The ideal material should be both osteoconductive (promote bonding to bone) and osteoinductive (induce osteogenic differentiation of cells and generate new bone). Partially resorbable bioceramic materials with both properties are developed by expensive trial-and-error methods. Structure-reactivity relationships for predicting the osteoinductive properties of ceramics would significantly increase the efficiency of developing materials for bone tissue engineering. Here we propose the novel hypothesis that the crystal structure of a bioceramic controls the release rates, subsequent surface modifications due to precipitation of new phases, and thus, the concentrations of soluble factors, and ultimately, the attachment, viability and osteogenic differentiation of human Mesenchymal Stem Cells (hMSCs). To illustrate our hypothesis, we used two CaSiO 3 polymorphs, pseudo-wollastonite (psw, β-CaSiO 3 ) and wollastonite (wol, α-CaSiO 3 ) as scaffolds for hMSC culture. Polymorphs are materials which have identical chemical composition and stoichiometry, but different crystal structures. We combined the results of detailed surface characterizations, including environmental Scanning Electron Microscopy (SEM) back-scattered imaging, and spot-analysis and 2D elemental mapping by SEM-Energy Dispersive X-ray (SEM-EDX), High Resolution Transmission Electron Microscopy (HRTEM) and surface roughness analysis; culture medium solution analyses; and molecular/genetic assays from cell culture. Our results confirmed the hypothesis that the psw polymorph, which has a strained silicate ring structure, is more osteoinductive than the wol polymorph, which has a more stable, open silicate chain structure. The observations could be attributed to easier dissolution (resorption) of psw compared to wol, which resulted in concentration profiles that were more osteoinductive for the former. Thus, we showed that crystal structure is a fundamental parameter to be considered in the intelligent design of pro-osteogenic, partially resorbable bioceramics.

Modeling and analysis of a large deployable antenna structure

NASA Astrophysics Data System (ADS)

Chu, Zhengrong; Deng, Zongquan; Qi, Xiaozhi; Li, Bing

2014-02-01

One kind of large deployable antenna (LDA) structure is proposed by combining a number of basic deployable units in this paper. In order to avoid vibration caused by fast deployment speed of the mechanism, a braking system is used to control the spring-actuated system. Comparisons between the LDA structure and a similar structure used by the large deployable reflector (LDR) indicate that the former has potential for use in antennas with up to 30 m aperture due to its lighter weight. The LDA structure is designed to form a spherical surface found by the least square fitting method so that it can be symmetrical. In this case, the positions of the terminal points in the structure are determined by two principles. A method to calculate the cable network stretched on the LDA structure is developed, which combines the original force density method and the parabolic surface constraint. Genetic algorithm is applied to ensure that each cable reaches a desired tension, which avoids the non-convergence issue effectively. We find that the pattern for the front and rear cable net must be the same when finding the shape of the rear cable net, otherwise anticlastic surface would generate.

Immersion Freezing of Aluminas: The Effect of Crystallographic Properties on Ice Nucleation

NASA Astrophysics Data System (ADS)

King, M.; Chong, E.; Freedman, M. A.

2017-12-01

Atmospheric aerosol particles serve as the nuclei for heterogeneous ice nucleation, a process that allows for ice to form at higher temperatures and lower supersaturations with respect to ice. This process is essential to the formation of ice in cirrus clouds. Heterogeneous ice nucleation is affected by many factors including the composition, crystal structure, porosity, and surface area of the particles. However, these factors are not well understood and, as such, are difficult to account for in climate models. To test the effects of crystal structure on ice nucleation, a system of transition aluminas (Al2O3) that differ only in their crystal structure, despite being compositionally similar, were tested using immersion freezing. Particles were immersed in water and placed into a temperature controlled chamber. Freezing events were then recorded as the chamber was cooled to negative 30 °. Alpha-alumina, which is a member of the hexagonal crystal system, showed a significantly higher temperature at which all particles froze in comparison to other samples. This supports the hypothesis that, since a hexagonal crystal structure is the lowest energy state for ice, hexagonal surface structures would best facilitate ice nucleation. However, a similar sample of hexagonal chi-alumina did not show the same results. Further analysis of the samples will be done to characterize surface structures and composition. These conflicting data sets raise interesting questions about the effect of other surface features, such as surface area and porosity, on ice nucleation.

Structure-to-property relationships in fuel cell catalyst supports: Correlation of surface chemistry and morphology with oxidation resistance of carbon blacks

NASA Astrophysics Data System (ADS)

Artyushkova, Kateryna; Pylypenko, Svitlana; Dowlapalli, Madhu; Atanassov, Plamen

2012-09-01

Linking durability of carbon blacks, expressed as their oxidation resistance, used in PEMFCs as catalyst supports, with their chemistry and morphology is an important task towards designing carbon blacks with desired properties. Structure-to-property relationship between surface chemistry determined by X-ray photoelectron spectroscopy (XPS), morphological structure determined by digital image processing of scanning electron microscopy (SEM) images, physical properties, and electrochemical corrosion behavior determined in an air-breathing gas-diffusion electrode is studied for several un-altered and several modified carbon blacks. We are showing that surface chemistry, graphitic content and certain physical characteristics such as Brunauer-Emmett-Teller (BET) surface area and pore volume, determined by nitrogen adsorptions are not sufficient to explain high corrosion instability of types of carbon blacks. Inclusion of morphological characteristics, such as roughness, texture and shape parameters provide for more inclusive description and therefore more complete structure-to-property correlations of corrosion behavior of carbon blacks. This paper presents the first direct statistically-derived structure-to-property relationship, developed by multivariate analysis (MVA) that links chemical and physical structural properties of the carbon blacks to their critical properties as supports for PEMFC catalysts. We have found that balance between electrocatalytic activity and high resistance towards oxidation and corrosion is achieved by balance between amount of graphitic content and surface oxide coverage, smaller overall roughness and, finally, larger amount of big elongated and loose, and, hypothetically, more hydrophobic pores.

Electron beam irradiation impact on surface structure and wettability of ethylene-vinyl alcohol copolymer

NASA Astrophysics Data System (ADS)

El-Saftawy, A. A.; Ragheb, M. S.; Zakhary, S. G.

2018-06-01

In the present study, electron beam (EB) is utilized to tailor the surface structure and wetting behavior of ethylene-vinyl alcohol (EVOH) copolymer. The structural deformation is examined by x-ray diffractometer (XRD). The recorded patterns reveal the formation of disordered systems on the irradiated surface. Also, the surface crystallinity degree, crystallite size, and micro-strain are studied. The microstructure induced modifications of the irradiated samples are investigated by 1-dimensional proton nuclear magnetic resonance 1H NMR spectroscopic analysis. The recorded spectra showed that the hydroxyl group (O-H) absorption intensity, enhanced compared to that of methylene (-CH2) and methine (>C-H) groups. Likewise, the changes of the polymer surface chemistry are studied by Fourier transform infrared spectroscopy (FTIR) and showed that the surface polarity improved after irradiation. The contact angle method is used to prove the surface wettability improvements after irradiation. Additionally, the fucoidan-coated samples exhibit great enhancements in surface wettability and have a reduced recovery effect compared to the uncoated samples. The surface free energy and bonding adhesion are studied as well. The fucoidan-coated samples are found to have a larger adhesion strength than that of the EVOH samples (pristine and irradiated). Finally, surface morphology and roughness are traced by atomic force microscopy (AFM). The improvements in surface wettability and adhesion are attributed to the modified surface roughness and the increased surface polarity. To sum up, combining EB irradiation and fucoidan enhance the surface wettability of EVOH in a controlled way keeping the bulk properties unaffected.

From LIDAR Scanning to 3d FEM Analysis for Complex Surface and Underground Excavations

NASA Astrophysics Data System (ADS)

Chun, K.; Kemeny, J.

2017-12-01

Light detection and ranging (LIDAR) has been a prevalent remote-sensing technology applied in the geological fields due to its high precision and ease to use. One of the major applications is to use the detailed geometrical information of underground structures as a basis for the generation of three-dimensional numerical model that can be used in FEM analysis. To date, however, straightforward techniques in reconstructing numerical model from the scanned data of underground structures have not been well established or tested. In this paper, we propose a comprehensive approach integrating from LIDAR scanning to finite element numerical analysis, specifically converting LIDAR 3D point clouds of object containing complex surface geometry into finite element model. This methodology has been applied to the Kartchner Caverns in Arizona for the stability analysis. Numerical simulations were performed using the finite element code ABAQUS. The results indicate that the highlights of our technologies obtained from LIDAR is effective and provide reference for other similar engineering project in practice.

Experimental and Theoretical Investigations of Glass Surface Charging Phenomena

NASA Astrophysics Data System (ADS)

Agnello, Gabriel

Charging behavior of multi-component display-type (i.e. low alkali) glass surfaces has been studied using a combination of experimental and theoretical methods. Data obtained by way of a Rolling Sphere Test (RST), streaming/zeta potential and surface energy measurements from commercially available display glass surfaces (Corning EAGLE XGRTM and Lotus(TM) XT) suggest that charge accumulation is highly dependent on surface treatment (chemical and/or physical modification) and measurement environment, presumably through reactionary mechanisms at the surface with atmospheric moisture. It has been hypothesized that water dissociation, along with the corresponding hydroxylation of the glass surface, are important processes related to charging in glass-metal contact systems. Classical Molecular Dynamics (MD) simulations, in conjunction with various laboratory based measurements (RST, a newly developed ElectroStatic Gauge (ESG) and Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS)) on simpler Calcium AluminoSilicate (CAS) glass surfaces were used to further explore these phenomena. Analysis of simulated high-silica content (≥50%) (CAS) glass structures suggest that controlled variation of bulk chemistry can directly affect surface defect concentrations, such as non-bridging oxygen (NBO), which can be suitable high-energy sites for hydrolysis-type reactions to occur. Calculated NBO surface concentrations correlate well with charge based measurements on laboratory fabricated CAS surfaces. The data suggest that a directional/polar shift in contact-charge transfer occurs at low silica content (≤50%) where the highest concentrations of NBOs are observed. Surface charging sensitivity with respect to NBO concentration decreases as the relative humidity of the measurement environment increases; which should be expected as the highly reactive sites are progressively covered by liquid water layers. DRIFTS analysis of CAS powders expand on this analysis showing a gradual increase in molecular water absorption at the surface in samples containing ≥60% silica, and an abrupt decrease in those with ≤60% silica. This behavior is very likely related to the aforementioned charge polarity shift (negative (-) to positive (+)) in low silica containing glasses, leading to the conclusion that structural defect mediated charge accumulation and/or transfer are likely to be important mechanisms related to the contact charging of glass surfaces.

[Hybrid 3-D rendering of the thorax and surface-based virtual bronchoscopy in surgical and interventional therapy control].

PubMed

Seemann, M D; Gebicke, K; Luboldt, W; Albes, J M; Vollmar, J; Schäfer, J F; Beinert, T; Englmeier, K H; Bitzer, M; Claussen, C D

2001-07-01

The aim of this study was to demonstrate the possibilities of a hybrid rendering method, the combination of a color-coded surface and volume rendering method, with the feasibility of performing surface-based virtual endoscopy with different representation models in the operative and interventional therapy control of the chest. In 6 consecutive patients with partial lung resection (n = 2) and lung transplantation (n = 4) a thin-section spiral computed tomography of the chest was performed. The tracheobronchial system and the introduced metallic stents were visualized using a color-coded surface rendering method. The remaining thoracic structures were visualized using a volume rendering method. For virtual bronchoscopy, the tracheobronchial system was visualized using a triangle surface model, a shaded-surface model and a transparent shaded-surface model. The hybrid 3D visualization uses the advantages of both the color-coded surface and volume rendering methods and facilitates a clear representation of the tracheobronchial system and the complex topographical relationship of morphological and pathological changes without loss of diagnostic information. Performing virtual bronchoscopy with the transparent shaded-surface model facilitates a reasonable to optimal, simultaneous visualization and assessment of the surface structure of the tracheobronchial system and the surrounding mediastinal structures and lesions. Hybrid rendering relieve the morphological assessment of anatomical and pathological changes without the need for time-consuming detailed analysis and presentation of source images. Performing virtual bronchoscopy with a transparent shaded-surface model offers a promising alternative to flexible fiberoptic bronchoscopy.

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.

Surface displacement based shape analysis of central brain structures in preterm-born children

NASA Astrophysics Data System (ADS)

Garg, Amanmeet; Grunau, Ruth E.; Popuri, Karteek; Miller, Steven; Bjornson, Bruce; Poskitt, Kenneth J.; Beg, Mirza Faisal

2016-03-01

Many studies using T1 magnetic resonance imaging (MRI) data have found associations between changes in global metrics (e.g. volume) of brain structures and preterm birth. In this work, we use the surface displacement feature extracted from the deformations of the surface models of the third ventricle, fourth ventricle and brainstem to capture the variation in shape in these structures at 8 years of age that may be due to differences in the trajectory of brain development as a result of very preterm birth (24-32 weeks gestation). Understanding the spatial patterns of shape alterations in these structures in children who were born very preterm as compared to those who were born at full term may lead to better insights into mechanisms of differing brain development between these two groups. The T1 MRI data for the brain was acquired from children born full term (FT, n=14, 8 males) and preterm (PT, n=51, 22 males) at age 8-years. Accurate segmentation labels for these structures were obtained via a multi-template fusion based segmentation method. A high dimensional non-rigid registration algorithm was utilized to register the target segmentation labels to a set of segmentation labels defined on an average-template. The surface displacement data for the brainstem and the third ventricle were found to be significantly different (p < 0.05) between the PT and FT groups. Further, spatially localized clusters with inward and outward deformation were found to be associated with lower gestational age. The results from this study present a shape analysis method for pediatric MRI data and reveal shape changes that may be due to preterm birth.

Electrolytes in a nanometer slab-confinement: Ion-specific structure and solvation forces

NASA Astrophysics Data System (ADS)

Kalcher, Immanuel; Schulz, Julius C. F.; Dzubiella, Joachim

2010-10-01

We study the liquid structure and solvation forces of dense monovalent electrolytes (LiCl, NaCl, CsCl, and NaI) in a nanometer slab-confinement by explicit-water molecular dynamics (MD) simulations, implicit-water Monte Carlo (MC) simulations, and modified Poisson-Boltzmann (PB) theories. In order to consistently coarse-grain and to account for specific hydration effects in the implicit methods, realistic ion-ion and ion-surface pair potentials have been derived from infinite-dilution MD simulations. The electrolyte structure calculated from MC simulations is in good agreement with the corresponding MD simulations, thereby validating the coarse-graining approach. The agreement improves if a realistic, MD-derived dielectric constant is employed, which partially corrects for (water-mediated) many-body effects. Further analysis of the ionic structure and solvation pressure demonstrates that nonlocal extensions to PB (NPB) perform well for a wide parameter range when compared to MC simulations, whereas all local extensions mostly fail. A Barker-Henderson mapping of the ions onto a charged, asymmetric, and nonadditive binary hard-sphere mixture shows that the strength of structural correlations is strongly related to the magnitude and sign of the salt-specific nonadditivity. Furthermore, a grand canonical NPB analysis shows that the Donnan effect is dominated by steric correlations, whereas solvation forces and overcharging effects are mainly governed by ion-surface interactions. However, steric corrections to solvation forces are strongly repulsive for high concentrations and low surface charges, while overcharging can also be triggered by steric interactions in strongly correlated systems. Generally, we find that ion-surface and ion-ion correlations are strongly coupled and that coarse-grained methods should include both, the latter nonlocally and nonadditive (as given by our specific ionic diameters), when studying electrolytes in highly inhomogeneous situations.

Metagenomic analysis of microbial communities yields insight into impacts of nanoparticle design

NASA Astrophysics Data System (ADS)

Metch, Jacob W.; Burrows, Nathan D.; Murphy, Catherine J.; Pruden, Amy; Vikesland, Peter J.

2018-01-01

Next-generation DNA sequencing and metagenomic analysis provide powerful tools for the environmentally friendly design of nanoparticles. Herein we demonstrate this approach using a model community of environmental microbes (that is, wastewater-activated sludge) dosed with gold nanoparticles of varying surface coatings and morphologies. Metagenomic analysis was highly sensitive in detecting the microbial community response to gold nanospheres and nanorods with either cetyltrimethylammonium bromide or polyacrylic acid surface coatings. We observed that the gold-nanoparticle morphology imposes a stronger force in shaping the microbial community structure than does the surface coating. Trends were consistent in terms of the compositions of both taxonomic and functional genes, which include antibiotic resistance genes, metal resistance genes and gene-transfer elements associated with cell stress that are relevant to public health. Given that nanoparticle morphology remained constant, the potential influence of gold dissolution was minimal. Surface coating governed the nanoparticle partitioning between the bioparticulate and aqueous phases.

Synthesis and Characterization of Chitosan-p-t-Butylcalix[4]arene acid

NASA Astrophysics Data System (ADS)

Handayani, D. S.; Frimadasi, W.; Kusumaningsih, T.; Pranoto

2018-03-01

The synthesis of chitosan-p-t-butylcalix[4]arene acid was done with DIC (N, N’-diisopropylcarbodiimide) as the coupling agent. The structural analysis of the chitosan-p-t-butylcalix[4]arene acid was conducted by spectrophotometer Fourier Transform Infra Red (FTIR) and X-Ray Diffraction (XRD). Meanwhile, the surface area was investigated by Surface Area Analysis, the Scanning Electrone Microscope (SEM) analysed the surface morphology, and also the melting point temperature was determined. FTIR analysis on Chitosan-p-t-butylcalix[4]arene provides an overlapped absorption of -OH and -NH groups at 3438.26 cm-1. Meanwhile, a C = C aromatic bond present at 1480.43 cm-1. XRD analysis shows some broaden peaks due to the amorphous phase of the prepared material. The prepared material is a brownish yellow solid, odorless and porous. The melting point, surface area, and the average pore radius are above 300 °C, 9.42 m2 / g, and 52.5938 Å, respectively.

Use of LEED, Auger emission spectroscopy and field ion microscopy in microstructural studies

NASA Technical Reports Server (NTRS)

Ferrante, J.; Buckley, D. H.; Pepper, S. V.; Brainard, W. A.

1972-01-01

Surface research tools such as LEED, Auger emission spectroscopy analysis, and field ion microscopy are discussed. Examples of their use in studying adhesion, friction, wear, and lubrication presented. These tools have provided considerable insight into the basic nature of solid surface interactions. The transfer of metals from one surface to another at the atomic level has been observed and studied with each of these devices. The field ion microscope has been used to study polymer-metal interactions and Auger analysis to study the mechanism of polymer adhesion to metals. LEED and Auger analysis have identified surface segregation of alloying elements and indicated the influence of these elements in metallic adhesion. LEED and Auger analysis have assisted in adsorption studies in determining the structural arrangement and quantity of adsorbed species present in making an understanding of the influence of these species on adhesion possible. These devices are assisting in the furtherance of understanding of the fundamental mechanism involved in the adhesion, friction, wear, and lubrication processes.

Porous micropillar structures for retaining low surface tension liquids.

PubMed

Agonafer, Damena D; Lee, Hyoungsoon; Vasquez, Pablo A; Won, Yoonjin; Jung, Ki Wook; Lingamneni, Srilakshmi; Ma, Binjian; Shan, Li; Shuai, Shuai; Du, Zichen; Maitra, Tanmoy; Palko, James W; Goodson, Kenneth E

2018-03-15

The ability to manipulate fluid interfaces, e.g., to retain liquid behind or within porous structures, can be beneficial in multiple applications, including microfluidics, biochemical analysis, and the thermal management of electronic systems. While there are a variety of strategies for controlling the disposition of liquid water via capillarity, such as the use of chemically modified porous adhesive structures and capillary stop valves or surface geometric features, methods that work well for low surface tension liquids are far more difficult to implement. This study demonstrates the microfabrication of a silicon membrane that can retain exceptionally low surface tension fluorinated liquids against a significant pressure difference across the membrane via an array of porous micropillar structures. The membrane uses capillary forces along the triple phase contact line to maintain stable liquid menisci that yield positive working Laplace pressures. The micropillars have inner diameters and thicknesses of 1.5-3 μm and ∼1 μm, respectively, sustaining Laplace pressures up to 39 kPa for water and 9 kPa for Fluorinert™ (FC-40). A theoretical model for predicting the change in pressure as the liquid advances along the porous micropillar structure is derived based on a free energy analysis of the liquid meniscus with capped spherical geometry. The theoretical prediction was found to overestimate the burst pressure compared with the experimental measurements. To elucidate this deviation, transient numerical simulations based on the Volume of Fluid (VOF) were performed to explore the liquid pressure and evolution of meniscus shape under different flow rates (i.e., Capillary numbers). The results from VOF simulations reveal strong dynamic effects where the anisotropic expansion of liquid along the outer micropillar edge leads to an irregular meniscus shape before the liquid spills along the micropillar edge. These findings suggest that the analytical prediction of burst Laplace pressure obtained under quasi-static condition (i.e., equilibrium thermodynamic analysis under low capillary number) is not applicable to highly dynamic flow conditions, where the liquid meniscus shape deformation by flow perturbation cannot be restored by surface tension force instantaneously. Therefore, the critical burst pressure is dependent on the liquid velocity and viscosity under dynamic flow conditions. A numerical simulation using Surface Evolver also predicts that surface defects along the outer micropillar edge can yield up to 50% lower Laplace pressures than those predicted with ideal feature geometries. The liquid retention strategy developed here can facilitate the routing and phase management of dielectric working fluids for application in heat exchangers. Further improvements in the retention performance can be realized by optimizing the fabrication process to reduce surface defects. Copyright © 2017 Elsevier Inc. All rights reserved.

Differentiations of Chitin Content and Surface Morphologies of Chitins Extracted from Male and Female Grasshopper Species

PubMed Central

Kaya, Murat; Lelešius, Evaldas; Nagrockaitė, Radvilė; Sargin, Idris; Arslan, Gulsin; Mol, Abbas; Baran, Talat; Can, Esra; Bitim, Betul

2015-01-01

In this study, we used Fourier transform infrared spectroscopy (FT-IR), elemental analysis (EA), thermogravimetric analysis (TGA), X-ray diffractometry (XRD), and scanning electron microscopy (SEM) to investigate chitin structure isolated from both sexes of four grasshopper species. FT-IR, EA, XRD, and TGA showed that the chitin was in the alpha form. With respect to gender, two main differences were observed. First, we observed that the quantity of chitin was greater in males than in females and the dry weight of chitin between species ranged from 4.71% to 11.84%. Second, using SEM, we observed that the male chitin surface structure contained 25 – 90nm wide nanofibers and 90 – 250 nm nanopores, while no pores or nanofibers were observed in the chitin surface structure of the majority of females (nanofibers were observed only in M. desertus females). In contrast, the elemental analysis, thermal properties, and crystalline index values for chitin were similar in males and females. Also, we carried out enzymatic digestion of the isolated chitins using commercial chitinase from Streptomyces griseus. We observed that there were no big differences in digestion rate of the chitins from both sexes and commercial chitin. The digestion rates were for grasshoppers’ chitins; 88.45–95.48% and for commercial chitin; 94.95%. PMID:25635814

Experiment Research on Hot-Rolling Processing of Nonsmooth Pit Surface.

PubMed

Gu, Yun-Qing; Fan, Tian-Xing; Mou, Jie-Gang; Yu, Wei-Bo; Zhao, Gang; Wang, Evan

2016-01-01

In order to achieve the nonsmooth surface drag reduction structure on the inner polymer coating of oil and gas pipelines and improve the efficiency of pipeline transport, a structural model of the machining robot on the pipe inner coating is established. Based on machining robot, an experimental technique is applied to research embossing and coating problems of rolling-head, and then the molding process rules under different conditions of rolling temperatures speeds and depth are analyzed. Also, an orthogonal experiment analysis method is employed to analyze the different effects of hot-rolling process apparatus on the embossed pits morphology and quality of rolling. The results also reveal that elevating the rolling temperature or decreasing the rolling speed can also improve the pit structure replication rates of the polymer coating surface, and the rolling feed has little effect on replication rates. After the rolling-head separates from the polymer coating, phenomenon of rebounding and refluxing of the polymer coating occurs, which is the reason of inability of the process. A continuous hot-rolling method for processing is used in the robot and the hot-rolling process of the processing apparatus is put in a dynamics analysis.

Evaluation of blood adsorption onto dialysis membranes by time-of-flight secondary ion mass spectrometry and near-field infrared microscopy.

PubMed

Aoyagi, Satoka; Abe, Kiyoshi; Yamagishi, Takayuki; Iwai, Hideo; Yamaguchi, Satoru; Sunohara, Takashi

2017-11-01

Blood adsorption onto the inside surface of hollow fiber dialysis membranes was investigated by means of time-of-flight secondary ion mass spectrometry (TOF-SIMS) and near-field infrared microscopy (NFIR) in order to evaluate the biocompatibility and permeability of dialysis membranes. TOF-SIMS is useful for the imaging of particular molecules with a high spatial resolution of approximately 100 nm. In contrast, infrared spectra provide quantitative information and NFIR enables analysis with a high spatial resolution of less than 1 μm, which is close to the resolution of TOF-SIMS. A comparison was made of one of the most widely used dialysis membranes made of polysulfone (PSf), that has an asymmetric and inhomogeneous pore structure, and a newly developed asymmetric cellulose triacetate (ATA) membrane that also has an asymmetric pore structure, even though the conventional cellulose triacetate membrane has a symmetric and homogeneous pore structure. As a result, it was demonstrated that blood adsorption on the inside surface of the ATA membrane is more reduced than that on the PSf membrane. Graphical abstract Analysis of blood adsorption on inside surface of hollow fiber membrane.

Experiment Research on Hot-Rolling Processing of Nonsmooth Pit Surface

PubMed Central

Gu, Yun-qing; Fan, Tian-xing; Mou, Jie-gang; Yu, Wei-bo; Zhao, Gang; Wang, Evan

2016-01-01

In order to achieve the nonsmooth surface drag reduction structure on the inner polymer coating of oil and gas pipelines and improve the efficiency of pipeline transport, a structural model of the machining robot on the pipe inner coating is established. Based on machining robot, an experimental technique is applied to research embossing and coating problems of rolling-head, and then the molding process rules under different conditions of rolling temperatures speeds and depth are analyzed. Also, an orthogonal experiment analysis method is employed to analyze the different effects of hot-rolling process apparatus on the embossed pits morphology and quality of rolling. The results also reveal that elevating the rolling temperature or decreasing the rolling speed can also improve the pit structure replication rates of the polymer coating surface, and the rolling feed has little effect on replication rates. After the rolling-head separates from the polymer coating, phenomenon of rebounding and refluxing of the polymer coating occurs, which is the reason of inability of the process. A continuous hot-rolling method for processing is used in the robot and the hot-rolling process of the processing apparatus is put in a dynamics analysis. PMID:27022235

Maximally asymmetric transbilayer distribution of anionic lipids alters the structure and interaction with lipids of an amyloidogenic protein dimer bound to the membrane surface

PubMed Central

Cheng, Sara Y.; Chou, George; Buie, Creighton; Vaughn, Mark W.; Compton, Campbell; Cheng, Kwan H.

2016-01-01

We used molecular dynamics simulations to explore the effects of asymmetric transbilayer distribution of anionic phosphatidylserine (PS) lipids on the structure of a protein on the membrane surface and subsequent protein–lipid interactions. Our simulation systems consisted of an amyloidogenic, beta-sheet rich dimeric protein (D42) absorbed to the phosphatidylcholine (PC) leaflet, or protein-contact PC leaflet, of two membrane systems: a single-component PC bilayer and double PC/PS bilayers. The latter comprised of a stable but asymmetric transbilayer distribution of PS in the presence of counterions, with a 1-component PC leaflet coupled to a 1-component PS leaflet in each bilayer. The maximally asymmetric PC/PS bilayer had a non-zero transmembrane potential (TMP) difference and higher lipid order packing, whereas the symmetric PC bilayer had a zero TMP difference and lower lipid order packing under physiologically relevant conditions. Analysis of the adsorbed protein structures revealed weaker protein binding, more folding in the N-terminal domain, more aggregation of the N- and C-terminal domains and larger tilt angle of D42 on the PC leaflet surface of the PC/PS bilayer versus the PC bilayer. Also, analysis of protein-induced membrane structural disruption revealed more localized bilayer thinning in the PC/PS versus PC bilayer. Although the electric field profile in the non-protein-contact PS leaflet of the PC/PS bilayer differed significantly from that in the non-protein-contact PC leaflet of the PC bilayer, no significant difference in the electric field profile in the protein-contact PC leaflet of either bilayer was evident. We speculate that lipid packing has a larger effect on the surface adsorbed protein structure than the electric field for a maximally asymmetric PC/PS bilayer. Our results support the mechanism that the higher lipid packing in a lipid leaflet promotes stronger protein–protein but weaker protein–lipid interactions for a dimeric protein on membrane surfaces. PMID:26827904

Discovery of an Unexplored Protein Structural Scaffold of Serine Protease from Big Blue Octopus (Octopus cyanea): A New Prospective Lead Molecule.

PubMed

Panda, Subhamay; Kumari, Leena

2017-01-01

Serine proteases are a group of enzymes that hydrolyses the peptide bonds in proteins. In mammals, these enzymes help in the regulation of several major physiological functions such as digestion, blood clotting, responses of immune system, reproductive functions and the complement system. Serine proteases obtained from the venom of Octopodidae family is a relatively unexplored area of research. In the present work, we tried to effectively utilize comparative composite molecular modeling technique. Our key aim was to propose the first molecular model structure of unexplored serine protease 5 derived from big blue octopus. The other objective of this study was to analyze the distribution of negatively and positively charged amino acid over molecular modeled structure, distribution of secondary structural elements, hydrophobicity molecular surface analysis and electrostatic potential analysis with the aid of different bioinformatic tools. In the present study, molecular model has been generated with the help of I-TASSER suite. Afterwards the refined structural model was validated with standard methods. For functional annotation of protein molecule we used Protein Information Resource (PIR) database. Serine protease 5 of big blue octopus was analyzed with different bioinformatical algorithms for the distribution of negatively and positively charged amino acid over molecular modeled structure, distribution of secondary structural elements, hydrophobicity molecular surface analysis and electrostatic potential analysis. The functionally critical amino acids and ligand- binding site (LBS) of the proteins (modeled) were determined using the COACH program. The molecular model data in cooperation to other pertinent post model analysis data put forward molecular insight to proteolytic activity of serine protease 5, which helps in the clear understanding of procoagulant and anticoagulant characteristics of this natural lead molecule. Our approach was to investigate the octopus venom protein as a whole or a part of their structure that may result in the development of new lead molecule. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Crystalline TiO 2 grafted with poly(2-methacryloyloxyethyl phosphorylcholine) via surface-initiated atom-transfer radical polymerization

NASA Astrophysics Data System (ADS)

Zhao, Yuancong; Tu, Qiufen; Wang, Jin; Huang, Qiongjian; Huang, Nan

2010-12-01

Crystalline TiO 2 films were prepared by unbalanced magnetron sputtering and the structure was confirmed by XRD. An organic layer of 11-hydroxyundecylphosphonic acid (HUPA) was prepared on the TiO 2 films by self-assembling, and the HUPA on TiO 2 films was confirmed by FTIR analysis. Simultaneously, hydroxyl groups were introduced in the phosphonic acid molecules to provide a functionality for further chemical modification. 2-Methacryloyloxyethyl phosphorylcholine (MPC), a biomimetic monomer, was chemically grafted on the HUPA surfaces at room temperature by surface-initiated atom-transfer radical polymerization. The surface characters of TiO 2 films modified by poly-MPC were confirmed by FTIR, XPS and SEM analysis. Platelet adhesion experiment revealed that poly-MPC modified surface was effective to inhibit platelet adhesion in vitro.

Interpreting the adsorption of serum albumin and lactoglobulin onto ZnS nanopaticles: effect of conformational rigidity of the proteins.

PubMed

Saikia, Jiban; Saha, Bedabrata; Das, Gopal

2014-02-15

The work we have undertaken is to investigate the adsorption of two different proteins (BSA and BLG) having near same IEP and differing in their conformational flexibility, onto the surface of ZnS nanoparticles (ZnS NPs). BSA and BLG both have an IEP value around pH~5. BSA is more prone to conformational deformation and considered "soft" while BLG holds the conformational rigidity and considered as "hard" protein. To ascertain the differences in surface coverage and conformation of the protein onto ZnS surface (PZC ~ 3.7), we have evaluated the adsorption profile at pH 7, where the entire surface behaves negatively. An integrated approach was taken by incorporating zeta (ζ) potential, fluorescence and CD for analyzing the adsorption process. In both systems, an increase in protein surface coverage was observed with the increase in free protein concentration in the solution and ζ values approaching that of native protein at high surface coverage. An alteration in the tertiary structure was observed for both BSA and BLG. The CD spectra analysis reveals that the secondary structure of the BSA was more deviated from the native protein structure, accommodating the increased adsorption value. For BLG no such prominent structural alteration was observed. These findings help us to understand better, how adjustment of the protein adsorption amount can be achieved onto the surface of nanoparticles having like charges. Copyright © 2013 Elsevier Inc. All rights reserved.

Multiscale geometric modeling of macromolecules I: Cartesian representation

NASA Astrophysics Data System (ADS)

Xia, Kelin; Feng, Xin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

2014-01-01

This paper focuses on the geometric modeling and computational algorithm development of biomolecular structures from two data sources: Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in the Eulerian (or Cartesian) representation. Molecular surface (MS) contains non-smooth geometric singularities, such as cusps, tips and self-intersecting facets, which often lead to computational instabilities in molecular simulations, and violate the physical principle of surface free energy minimization. Variational multiscale surface definitions are proposed based on geometric flows and solvation analysis of biomolecular systems. Our approach leads to geometric and potential driven Laplace-Beltrami flows for biomolecular surface evolution and formation. The resulting surfaces are free of geometric singularities and minimize the total free energy of the biomolecular system. High order partial differential equation (PDE)-based nonlinear filters are employed for EMDB data processing. We show the efficacy of this approach in feature-preserving noise reduction. After the construction of protein multiresolution surfaces, we explore the analysis and characterization of surface morphology by using a variety of curvature definitions. Apart from the classical Gaussian curvature and mean curvature, maximum curvature, minimum curvature, shape index, and curvedness are also applied to macromolecular surface analysis for the first time. Our curvature analysis is uniquely coupled to the analysis of electrostatic surface potential, which is a by-product of our variational multiscale solvation models. As an expository investigation, we particularly emphasize the numerical algorithms and computational protocols for practical applications of the above multiscale geometric models. Such information may otherwise be scattered over the vast literature on this topic. Based on the curvature and electrostatic analysis from our multiresolution surfaces, we introduce a new concept, the polarized curvature, for the prediction of protein binding sites.

Effect of Surface Treatments on Electron Beam Freeform Fabricated Aluminum Structures

NASA Technical Reports Server (NTRS)

Taminger, Karen M. B.; Hafley, Robert A.; Fahringer, David T.; Martin, Richard E.

2004-01-01

Electron beam freeform fabrication (EBF3) parts exhibit a ridged surface finish typical of many layer-additive processes. This, post-processing is required to produce a net shape with a smooth surface finish. High speed milling wire electrical discharge machining (EDM), electron beam glazing, and glass bead blasting were performed on EBF3-build 2219 aluminum alloy parts to reduce or eliminate the ridged surface features. Surface roughness, surface residual stress state, and microstructural characteristics were examined for each of the different surface treatment to assess the quality and effect of the surface treatments on the underlying material. The analysis evaluated the effectivenes of the different surface finishing techniques for achieving a smooth surface finish on an electron beam freeform fabricated part.

Time-of-flight scattering and recoiling spectrometry (TOF-SARS) analysis of Pt{110}. I. Quantitative structural study of the clean (1 × 2) surface

NASA Astrophysics Data System (ADS)

Masson, F.; Rabalais, J. W.

1991-08-01

The technique of time-of-flight scattering and recoiling spectrometry (TOF-SARS) is used for quantitative structural characterization of the reconstructed (1 × 2) missing-row Pt{110} clean surface. The results are presented as scans of scattered intensity versus incident angle at two scattering angles and are interpreted in terms of simple classical concepts (shadowing, blocking, focusing). Measured critical incident and exit angles corresponding to interatomic spacings unaffected by reconstruction are used to calibrate the screening constant of the interaction potential employed in the trajectory simulations. Analysis of the surface reconstruction is performed by combining experimental data and calibrated computations. The results indicate a contraction of the first-to-second interlayer spacing (-0.22 ± 0.07 Å, i.e., -16 ± 5%), a buckling of amplitude 0.19 ± 0.13 Å in the third layer and, possibly, a row-pairing in the second layer. These observations are in agreement with LEED, MEIS, GXRD, and RHEED experiments.

Comparative abrasive wear resistance and surface analysis of dental resin-based materials

PubMed Central

Nayyer, Maleeha; Zahid, Shahreen; Hassan, Syed Hammad; Mian, Salman Aziz; Mehmood, Sana; Khan, Haroon Ahmed; Kaleem, Muhammad; Zafar, Muhammad Sohail; Khan, Abdul Samad

2018-01-01

Objective: The objective of this study was to assess the surface properties (microhardness and wear resistance) of various composites and compomer materials. In addition, the methodologies used for assessing wear resistance were compared. Materials and Methods: This study was conducted using restorative material (Filtek Z250, Filtek Z350, QuiXfil, SureFil SDR, and Dyract XP) to assess wear resistance. A custom-made toothbrush simulator was employed for wear testing. Before and after wear resistance, structural, surface, and physical properties were assessed using various techniques. Results: Structural changes and mass loss were observed after treatment, whereas no significant difference in terms of microhardness was observed. The correlation between atomic force microscopy (AFM) and profilometer and between wear resistance and filler volume was highly significant. The correlation between wear resistance and microhardness were insignificant. Conclusions: The AFM presented higher precision compared to optical profilometers at a nanoscale level, but both methods can be used in tandem for a more detailed and precise roughness analysis. PMID:29657526

Reconciling the discrepancies between crystallographic porosity and guest access as exemplified by Zn-HKUST-1.

PubMed

Feldblyum, Jeremy I; Liu, Ming; Gidley, David W; Matzger, Adam J

2011-11-16

There are several compounds for which there exists a disconnect between porosity as predicted by crystallography and porosity measured by gas sorption analysis. In this paper, the Zn-based analogue of Cu(3)(btc)(2) (HKUST-1), Zn(3)(btc)(2) (Zn-HKUST-1; btc = 1,3,5-benzenetricarboxylate) is investigated. Conventional analysis of Zn-HKUST-1 by powder X-ray diffraction and gas sorption indicates retention of crystalline structure but negligible nitrogen uptake at 77 K. By using positron annihilation lifetime spectroscopy, a densified surface layer preventing the entry of even small molecular species into the crystal framework is revealed. The material is shown to have inherent surface instability after solvent removal, rendering it impermeable to molecular guests irrespective of handling and processing methods. This previously unobserved surface instability may provide insight into the failure of other microporous coordination polymers to exhibit significant porosity despite crystal structures indicative of regular, interconnected, microporous networks.

Advanced analysis of complex seismic waveforms to characterize the subsurface Earth structure

NASA Astrophysics Data System (ADS)

Jia, Tianxia

2011-12-01

This thesis includes three major parts, (1) Body wave analysis of mantle structure under the Calabria slab, (2) Spatial Average Coherency (SPAC) analysis of microtremor to characterize the subsurface structure in urban areas, and (3) Surface wave dispersion inversion for shear wave velocity structure. Although these three projects apply different techniques and investigate different parts of the Earth, their aims are the same, which is to better understand and characterize the subsurface Earth structure by analyzing complex seismic waveforms that are recorded on the Earth surface. My first project is body wave analysis of mantle structure under the Calabria slab. Its aim is to better understand the subduction structure of the Calabria slab by analyzing seismograms generated by natural earthquakes. The rollback and subduction of the Calabrian Arc beneath the southern Tyrrhenian Sea is a case study of slab morphology and slab-mantle interactions at short spatial scale. I analyzed the seismograms traversing the Calabrian slab and upper mantle wedge under the southern Tyrrhenian Sea through body wave dispersion, scattering and attenuation, which are recorded during the PASSCAL CAT/SCAN experiment. Compressional body waves exhibit dispersion correlating with slab paths, which is high-frequency components arrivals being delayed relative to low-frequency components. Body wave scattering and attenuation are also spatially correlated with slab paths. I used this correlation to estimate the positions of slab boundaries, and further suggested that the observed spatial variation in near-slab attenuation could be ascribed to mantle flow patterns around the slab. My second project is Spatial Average Coherency (SPAC) analysis of microtremors for subsurface structure characterization. Shear-wave velocity (Vs) information in soil and rock has been recognized as a critical parameter for site-specific ground motion prediction study, which is highly necessary for urban areas located in seismic active zones. SPAC analysis of microtremors provides an efficient way to estimate Vs structure. Compared with other Vs estimating methods, SPAC is noninvasive and does not require any active sources, and therefore, it is especially useful in big cities. I applied SPAC method in two urban areas. The first is the historic city, Charleston, South Carolina, where high levels of seismic hazard lead to great public concern. Accurate Vs information, therefore, is critical for seismic site classification and site response studies. The second SPAC study is in Manhattan, New York City, where depths of high velocity contrast and soil-to-bedrock are different along the island. The two experiments show that Vs structure could be estimated with good accuracy using SPAC method compared with borehole and other techniques. SPAC is proved to be an effective technique for Vs estimation in urban areas. One important issue in seismology is the inversion of subsurface structures from surface recordings of seismograms. My third project focuses on solving this complex geophysical inverse problems, specifically, surface wave phase velocity dispersion curve inversion for shear wave velocity. In addition to standard linear inversion, I developed advanced inversion techniques including joint inversion using borehole data as constrains, nonlinear inversion using Monte Carlo, and Simulated Annealing algorithms. One innovative way of solving the inverse problem is to make inference from the ensemble of all acceptable models. The statistical features of the ensemble provide a better way to characterize the Earth model.

A new approach to define surface/sub-surface transition in gravel beds

NASA Astrophysics Data System (ADS)

Haynes, Heather; Ockelford, Anne-Marie; Vignaga, Elisa; Holmes, William

2012-12-01

The vertical structure of river beds varies temporally and spatially in response to hydraulic regime, sediment mobility, grain size distribution and faunal interaction. Implicit are changes to the active layer depth and bed porosity, both critical in describing processes such as armour layer development, surface-subsurface exchange processes and siltation/ sealing. Whilst measurements of the bed surface are increasingly informed by quantitative and spatial measurement techniques (e.g., laser displacement scanning), material opacity has precluded the full 3D bed structure analysis required to accurately define the surface-subsurface transition. To overcome this problem, this paper provides magnetic resonance imaging (MRI) data of vertical bed porosity profiles. Uniform and bimodal (σ g = 2.1) sand-gravel beds are considered following restructuring under sub-threshold flow durations of 60 and 960 minutes. MRI data are compared to traditional 2.5D laser displacement scans and six robust definitions of the surface-subsurface transition are provided; these form the focus of discussion.

Animated axial surface mapping: The multimedia companion

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

Hook, S.C.; Shaw, J.H.; Suppe, J.

1995-09-01

This newly expanded version of AAPG`s first DataShare Disk brings to life the concepts and applications of a new method of structural trend analysis. Through the dynamic use of color, sound, animation, and humor, this multimedia companion to the May 1994 article on Axial Surface Mapping introduces the reader (or viewer) to the concepts of rigid-block translation, fault-bend folding, and axial surface mapping. Animated models of growing fault-bend folds allow the viewer to see in four dimensions. The axial surface map shows the horizontal plane; the folding lines show depth planes; and the animations show the structure and its two-dimensionalmore » map changing with time and increasing slip. The animations create theoretical map patterns under varying, but controlled conditions that can be compared to axial surface maps from real data. The model patterns are then used to interpret seismic data and axial surface maps from a producing gas field in offshore California and from an exploration play in Pennsylvania.« less

Spectroscopic and first principles investigation on 4-[(4-pyridinylmethylene)amino]-benzoic acid bearing pyridyl and carboxyl anchoring groups

NASA Astrophysics Data System (ADS)

Zhang, Lei; Wang, Qiaoyi

2018-03-01

We report a combined experimental and computational investigation on the structure and photophysics of 4-[(4-pyridinylmethylene)amino]-benzoic acid, a functional molecule bearing two anchoring groups for attachment onto a TiO2 surface and perovskite surface, for potential solar cell application. This molecule possesses interesting adsorption properties in perovskite solar cell because the pyridyl group serves as the Lewis base and targets Lewis acidic sites in the perovskite surface, while the carboxyl group targets TiO2 surface, improving the coupling between the perovskite surface and the TiO2 surface. The electronic structures of the molecule and its photochemistry are revealed by the UV-vis absorption spectra and the fluorescence spectra under visible light irradiation, which are combined with density functional theory (DFT) and time-dependent density functional theory (TDDFT) analysis. Considering the bi-anchoring groups and the conjugated π system embedded in the molecule, we anticipate it can molecular engineer the TiO2/perovskite interface in perovskite solar cell.

Internal structure of normal maize starch granules revealed by chemical surface gelatinization.

PubMed

Pan, D D; Jane, J I

2000-01-01

Normal maize starch was fractionated into two sizes: large granules with diameters more than 5 microns and small granules with diameters less than 5 microns. The large granules were surface gelatinized by treating them with an aqueous LiCl solution (13 M) at 22-23 degrees C. Surface-gelatinized remaining granules were obtained by mechanical blending, and gelatinized surface starch was obtained by grinding with a mortar and a pestle. Starches of different granular sizes and radial locations, obtained after different degrees of surface gelatinization, were subjected to scanning electron microscopy, iodine potentiometric titration, gel-permeation chromatography, and amylopectin branch chain length analysis. Results showed that the remaining granules had a rough surface with a lamella structure. Amylose was more concentrated at the periphery than at the core of the granule. Amylopectin had longer long B-chains at the core than at the periphery of the granule. Greater proportions of the long B-chains were present at the core than at the periphery of the granule.

Mimas: Tectonic structure and geologic history

NASA Technical Reports Server (NTRS)

Croft, Steven K.

1991-01-01

Mimas, the innermost of the major saturnian satellites, occupies an important place in comparative studies of icy satellites. It is the smallest icy satellite known to have a mostly spherical shape. Smaller icy objects like Hyperion and Puck are generally irregular in shape, while larger ones like Miranda and Enceladus are spherical. Thus Mimas is near the diameter where the combination of increasing surface gravity and internal heating begin to have a significant effect on global structure. The nature and extent of endogenic surface features provide important constraints on the interior structure and history of this transitional body. The major landforms on Mimas are impact craters. Mimas has one of the most heavily cratered surfaces in the solar system. The most prominent single feature on Mimas is Herschel, an unrelaxed complex crater 130 km in diameter. The only other recognized landforms on Mimas are tectonic grooves and lineaments. Groove locations were mapped by Schenk, but without analysis of groove structures or superposition relationships. Mimas' tectonic structures are remapped here in more detail than previously has been done, as part of a general study of tectonic features on icy satellites.

Turbine Engine Hot Section Technology, 1987

NASA Technical Reports Server (NTRS)

1987-01-01

Presentations were made concerning the development of design analysis tools for combustor liners, turbine vanes, and turbine blades. Presentations were divided into six sections: instrumentation, combustion, turbine heat transfer, structural analysis, fatigue and fracture, surface protective coatings, constitutive behavior of materials, stress-strain response and life prediction methods.

Aerodynamic design and analysis system for supersonic aircraft. Part 3: Computer program description

NASA Technical Reports Server (NTRS)

Middleton, W. D.; Lundry, J. L.; Coleman, R. G.

1975-01-01

The computer program for the design and analysis of supersonic aircraft configurations is presented. The schematics of the program structure are provided. The individual overlays and subroutines are described. The system is useful in determining surface pressures and supersonic area rule concepts.

Surface analysis of lipids by mass spectrometry: more than just imaging.

PubMed

Ellis, Shane R; Brown, Simon H; In Het Panhuis, Marc; Blanksby, Stephen J; Mitchell, Todd W

2013-10-01

Mass spectrometry is now an indispensable tool for lipid analysis and is arguably the driving force in the renaissance of lipid research. In its various forms, mass spectrometry is uniquely capable of resolving the extensive compositional and structural diversity of lipids in biological systems. Furthermore, it provides the ability to accurately quantify molecular-level changes in lipid populations associated with changes in metabolism and environment; bringing lipid science to the "omics" age. The recent explosion of mass spectrometry-based surface analysis techniques is fuelling further expansion of the lipidomics field. This is evidenced by the numerous papers published on the subject of mass spectrometric imaging of lipids in recent years. While imaging mass spectrometry provides new and exciting possibilities, it is but one of the many opportunities direct surface analysis offers the lipid researcher. In this review we describe the current state-of-the-art in the direct surface analysis of lipids with a focus on tissue sections, intact cells and thin-layer chromatography substrates. The suitability of these different approaches towards analysis of the major lipid classes along with their current and potential applications in the field of lipid analysis are evaluated. Copyright © 2013 Elsevier Ltd. All rights reserved.

Highly selective creation of hydrophilic micro-craters on super hydrophobic surface using electrohydrodynamic jet printing

NASA Astrophysics Data System (ADS)

Lee, Jaehyun; Hwang, Sangyeon; Prasetyo, Fariza Dian; Nguyen, Vu Dat; Hong, Jungwoo; Shin, Jennifer H.; Byun, Doyoung

2014-11-01

Selective surface modification is considered as an alternative to conventional printing techniques in high resolution patterning. Here, we present fabrication of hydrophilic patterns on the super hydrophobic surface, which makes structure on the hydrophilic region. The super hydrophobic surface is able to be chemically changed to hydrophilic with alcohols. As a consecutive process, electrohydrodynamic (EHD) jet printing was utilized to fabricate local hydrophilic craters with 30-200 μm sizes. 3 kinds of target liquids were deposited well on hydrophilic region; PEDOT (poly 3,4 ethylenediocythiophene), polystyrene nano-particles, and salmonella bacteria medium. Additionally, qualitative analysis were presented for modification mechanism and surface properties on super hydrophobic/hydrophilic by analysis of surface energy with contact angle, SEM (scanning electron microscopy) image, and SIMS (secondary ion mass spectroscopy) analysis. This new simple modification method provides possibility to be utilizing in bio-patterning engineering such as cell culturing microchip and lab on a chip. This research was supported by the Basi Science Research Program through the National Research Foundation of Korea (NRF) (Grand Number: 2014-023284).

Novel types of surface acoustic wave microreflectors - Performance analysis and simulations

NASA Astrophysics Data System (ADS)

Golan, G.; Griffel, G.; Seidman, A.; Croitoru, N.

1990-06-01

Surface acoustic waves for micrograting reflectors have been characterized. Based on the perturbation theory, eight different types of structures on an acoustic waveguide were analyzed. Results of simulations of all eight types of corrugation structures were evaluated in order to find the least leaky waveguide, the most efficient reflector (with minimum necessary perturbations), and the optimal mode shape for improved performances. General design curves are presented in order to illustrate the behavior of the incident and reflected waves under a variety of structural conditions. Analytic expressions for the calculations of the mode amplitude and mode shape, and for general acoustic corrugations are derived and then the simulations results are presented.

Wound diagnostics with microwaves.

PubMed

Schertlen, Ralph; Pivit, Florian; Wiesbeck, Werner

2002-01-01

The reflection of electromagnetic waves on material surfaces is very depending on the electric and magnetic properties of these materials, on their structure and on the surface texture. Therefore the different layers and dielectric properties of healthy and unsound body tissue also show different reflection behavior towards incidentating electromagnetic waves. By analyzing the reflected signals of incident electromagnetic waves, it is possible to get information about the inner structure of the reflecting body tissue. This effect could then be used for a contactless analysis of body tissue e.g. to gain crucial medical information about healing processes. In this paper the results of several full wave simulations of various tissue structures are presented and the significance and usability of this method is shown.

Broadband multiple responses of surface modes in quasicrystalline plasmonic structure

PubMed Central

Yuan, Haiming; Jiang, Xiangqian; Huang, Feng; Sun, Xiudong

2016-01-01

We numerically study the multiple excitation of surface modes in 2D photonic quasicrystal/metal/substrate structure. An improved rigorous coupled wave analysis method that can handle the quasicrystalline structure is presented. The quasicrystalline lattice, which refers to Penrose tiling in this paper, is generated by the cut-and-project method. The normal incidence spectrum presents a broadband multiple responses property. We find that the phase matching condition determines the excitation frequency for a given incident angle, while the depth of the reflection valley depends on the incident polarization. The modes will split into several sub-modes at oblique incidence, which give rise to the appearance of more responses on the spectrum. PMID:27492782

Structure of AA5056 after friction drilling

NASA Astrophysics Data System (ADS)

Eliseev, A. A.; Kalashnikova, T. A.; Fortuna, S. V.

2017-12-01

Here we present data on the structure of AA5056 alloy after friction drilling to unveil potentials of the process for use in model experiments on friction stir welding. Our analysis of the average size and volume content of precipitates shows that their content decreases immediately beneath the friction surface and that the structure of this zone is the same as the structure of stirring zones formed in friction stir welding. The data suggest that both processes provide similar metal structures.

Structural, morphological and optical properties of pulsed laser deposited ZnSe/ZnSeO3 thin films

NASA Astrophysics Data System (ADS)

Hassan, Syed Ali; Bashir, Shazia; Zehra, Khushboo; Salman Ahmed, Qazi

2018-04-01

The effect of varying laser pulses on structural, morphological and optical behavior of Pulsed Laser Deposited (PLD) ZnSe/ZnSeO3 thin films has been investigated. The films were grown by employing Excimer laser (100 mJ, 248 nm, 18 ns, 30 Hz) at various number of laser pulses i.e. 3000, 4000, 5000 and 6000 with elevated substrate temperature of 300 °C. One film was grown at Room Temperature (RT) by employing 3000 number of laser pulses. In order to investigate the structural analysis of deposited films, XRD analysis was performed. It was observed that the room temperature is not favorable for the growth of crystalline film. However, elevated substrate temperature to 300°C, two phases with preferred orientation of ZnSeO3 (2 1 2) and ZnSe (3 3 1) were identified. AFM and SEM analysis were performed to explore the surface morphology of grown films. Morphological analysis also confirmed the non-uniform film growth at room temperature. At elevated substrate temperature (300 °C), the growth of dendritic rods and cubical crystalline structures are observed for lower number of laser pulses i.e. 3000 and 4000 respectively. With increased number of pulses i.e. 5000 and 6000, the films surface morphology becomes smooth which is confirmed by measurement of surface RMS roughness. Number of grains, skewness, kurtosis and other parameters have been evaluated by statistical analysis. In order to investigate the thickness, and optical properties of deposited films, ellipsometery and UV–Vis spectroscopy techniques were employed. The estimated band gap energy is 2.67 eV for the film grown at RT, whereas band gap values varies from 2.80 eV to 3.01 eV for the films grown at 300 °C with increasing number of laser pulses.

Impact of Substratum Surface on Microbial Community Structure and Treatment Performance in Biological Aerated Filters

PubMed Central

Kim, Lavane; Pagaling, Eulyn; Zuo, Yi Y.

2014-01-01

The impact of substratum surface property change on biofilm community structure was investigated using laboratory biological aerated filter (BAF) reactors and molecular microbial community analysis. Two substratum surfaces that differed in surface properties were created via surface coating and used to develop biofilms in test (modified surface) and control (original surface) BAF reactors. Microbial community analysis by 16S rRNA gene-based PCR-denaturing gradient gel electrophoresis (DGGE) showed that the surface property change consistently resulted in distinct profiles of microbial populations during replicate reactor start-ups. Pyrosequencing of the bar-coded 16S rRNA gene amplicons surveyed more than 90% of the microbial diversity in the microbial communities and identified 72 unique bacterial species within 19 bacterial orders. Among the 19 orders of bacteria detected, Burkholderiales and Rhodocyclales of the Betaproteobacteria class were numerically dominant and accounted for 90.5 to 97.4% of the sequence reads, and their relative abundances in the test and control BAF reactors were different in consistent patterns during the two reactor start-ups. Three of the five dominant bacterial species also showed consistent relative abundance changes between the test and control BAF reactors. The different biofilm microbial communities led to different treatment efficiencies, with consistently higher total organic carbon (TOC) removal in the test reactor than in the control reactor. Further understanding of how surface properties affect biofilm microbial communities and functional performance would enable the rational design of new generations of substrata for the improvement of biofilm-based biological treatment processes. PMID:24141134

Porous Organic Nanolayers for Coating of Solid-state Devices

PubMed Central

2011-01-01

Background Highly hydrophobic surfaces can have very low surface energy and such low surface energy biological interfaces can be obtained using fluorinated coatings on surfaces. Deposition of biocompatible organic films on solid-state surfaces is attained with techniques like plasma polymerization, biomineralization and chemical vapor deposition. All these require special equipment or harsh chemicals. This paper presents a simple vapor-phase approach to directly coat solid-state surfaces with biocompatible films without any harsh chemical or plasma treatment. Hydrophilic and hydrophobic monomers were used for reaction and deposition of nanolayer films. The monomers were characterized and showed a very consistent coating of 3D micropore structures. Results The coating showed nano-textured surface morphology which can aid cell growth and provide rich molecular functionalization. The surface properties of the obtained film were regulated by varying monomer concentrations, reaction time and the vacuum pressure in a simple reaction chamber. Films were characterized by contact angle analysis for surface energy and with profilometer to measure the thickness. Fourier Transform Infrared Spectroscopy (FTIR) analysis revealed the chemical composition of the coated films. Variations in the FTIR results with respect to different concentrations of monomers showed the chemical composition of the resulting films. Conclusion The presented approach of vapor-phase coating of solid-state structures is important and applicable in many areas of bio-nano interface development. The exposure of coatings to the solutions of different pH showed the stability of the coatings in chemical surroundings. The organic nanocoating of films can be used in bio-implants and many medical devices. PMID:21569579

Structural and morphological modifications of polymer thin film in the presence of nonsolvent

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

Talukdar, Hrishikesh, E-mail: hiasst@yahoo.in; Kundu, Sarathi

Thin films of sodium poly(acrylic acid) salt (Na-PAA) have been investigated to obtain the modification of the out-of-plane structure and surface morphology in the presence of toluene which is considered as nonsolvent for Na-PAA. X-ray reflectivity analysis show that the out-of-plane thickness of the Na-PAA film increases if the film is kept for longer time inside the toluene. For the thicker film the effect of toluene is more pronounced than the thinner one. Surface morphology obtained from the atomic force microscopy shows that the top surface becomes relatively rough after the dipping of the Na-PAA film inside toluene. Although toluenemore » is nonsolvent for Na-PAA molecules, however, the effect of restructuring of the nanometer-thick polymer film cannot be ignored. The reason for such structural modification has been proposed.« less

Simulation studies for surfaces and materials strength

NASA Technical Reports Server (NTRS)

Halicioglu, T.

1985-01-01

From intermolecular force studies, it is now known that the overall non-additive contribution to the lattice enegy is positive so that analysis based on only pairwise additivity suggests a shallower intermolecular potential than the true value. Two body contributions alone are also known to be categorically unable to even qualitatively describe some configurations of molecular clusters in the gas phase or the general relaxation and reconstruction of fcc crystal surfaces. In addition, the many-body contribution was shown to play a key role in the stability of certain crystal structures. In these recent analyses, a relatively simple potential energy function (PEF), comprising only a two-body Mie-type potential plus a three-body Axilrod-Teller-type potential, was found to be extremely effective. This same parametric PEF is applied to describe the bulk stability and surface energy for the diamond cubic structure. To test the stability condition, the FCC, BCC, diamond cubic, graphite and beta-tin structures were considered.

Imaging of surface spin textures on bulk crystals by scanning electron microscopy

NASA Astrophysics Data System (ADS)

Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru

2016-11-01

Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry.

Lateral Structure Formation in Polyelectrolyte Brushes Induced by Multivalent Ions

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

Brettmann, Blair; Pincus, Philip; Tirrell, Matthew

2017-01-13

We provide a theoretical model for the collapse of polyelectrolyte brushes in the presence of multivalent ions, focusing on the formation of lateral inhomogeneties in the collapsed state. Polyelectrolyte brushes are important in a variety of applications, including stabilizing colloidal particles and lubricating surfaces. Many uses rely on the extension of the densely grafted polymer chains from the surface in the extended brush morphology. In the presence Extended Brush of multivalent ions, brushes are significantly shorter than in monovalent ionic solutions, which greatly affects their properties. We base our theoretical analysis on an analogous collapse of polyelectrolyte brushes in amore » poor solvent, providing an energy balance representation for pinned micelles and cylindrical bundles. The equilibrium brush heights predicted for these structures are of a similar magnitude to those measured experimentally. The formation of lateral structures can open new avenues for stimuli-responsive applications that rely on nanoscale pattern formation on surfaces.« less

Large area planar stanene epitaxially grown on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Yuhara, Junji; Fujii, Yuya; Nishino, Kazuki; Isobe, Naoki; Nakatake, Masashi; Xian, Lede; Rubio, Angel; Le Lay, Guy

2018-04-01

Artificial post-graphene elemental 2D materials have received much attention recently. Especially, stanene, the tin analogue of graphene, is expected to be a robust 2D topological insulator, even above room temperature. We have grown epitaxial 2D stanene on a Ag(1 1 1) single crystal template and determined its crystalline structure synergetically by scanning tunneling microscopy, high-resolution synchrotron radiation photoemission spectroscopy, and advanced first principles calculations. From the STM images, we show that stanene forms a nearly planar structure in large domains. A detailed core-level spectroscopy analysis as well as DFT calculations reveal that the stanene sheet lays over an ordered 2D Ag2Sn surface alloy, but not directly on a bulk-terminated Ag(1 1 1) surface. The electronic structure exhibits a characteristic 2D band with parabolic dispersion due to the non-negligible interaction with the underlying surface alloy.

Thin film lubrication of hexadecane confined by iron and iron oxide surfaces: A crucial role of surface structure

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

Ta, D. T.; Tieu, A. K.; Zhu, H. T., E-mail: hongtao@uow.edu.au

2015-10-28

A comparative analysis of thin film lubrication of hexadecane between different iron and its oxide surfaces has been carried out using classical molecular dynamic simulation. An ab initio force-field, COMPASS, was applied for n-hexadecane using explicit atom model. An effective potential derived from density functional theory calculation was utilized for the interfacial interaction between hexadecane and the tribo-surfaces. A quantitative surface parameterization was introduced to investigate the influence of surface properties on the structure, rheological properties, and tribological performance of the lubricant. The results show that although the wall-fluid attraction of hexadecane on pure iron surfaces is significantly stronger thanmore » its oxides, there is a considerable reduction of shear stress of confined n-hexadecane film between Fe(100) and Fe(110) surfaces compared with FeO(110), FeO(111), Fe{sub 2}O{sub 3}(001), and Fe{sub 2}O{sub 3}(012). It was found that, in thin film lubrication of hexadecane between smooth iron and iron oxide surfaces, the surface corrugation plays a role more important than the wall-fluid adhesion strength.« less

Structural characteristics of biochar-graphene nanosheet composites and their adsorption performance for phthalic acid esters

NASA Astrophysics Data System (ADS)

Ghaffar, Abdul; Zhu, Xiaoying; Chen, Baoliang

2017-04-01

The nonuniform and unhomogenous structure of biochar including defects could affect the adsorption performance of biochars. Biochar and graphene nanosheet (GNS) composites (BG) were prepared by simple dip coating method following thermal route of bamboo wood biomass at three different temperatures (300, 500, 700°C), in addition to biochars. The morphology and structural composition of biochars and BG composites were examined by scanning electron microscopy, transmission electron microscopy, Brunauer-Emmet-Teller surface area with N2 and CO2, Raman spectroscopy, Fourier Transformed Infrared spectroscopy, X-ray Photoelectron spectroscopy, Thermogravimetric analysis and CHN elemental analysis. It was found that GNS ( 1µm, 0.1% mass) provided higher thermal stability, porous structure, and relatively higher surface area (N2 and CO2), to BG composites. BG composites portrayed the existence of GNS bearing cavities and evidently increased the graphitic structure. The adsorption capabilities of biochars and BG composites towards dimethyl phthalate (DMP), diethyl phthalate (DEP), and dibutyl phthalate (DBP) as model phthalic acid esters (PAEs) were examined by batch sorption technique. The BG composites exhibited the increased adsorption capacity comparatively to biochars. The aromatic sheets of biochars and GNS on biochars dominated the π-π EDA (electron donor-acceptor) interaction for ring structure of DMP molecule in addition to pore-diffusion mechanism, whereas adsorption of DBP was attributed to hydrophobicity. Our results suggest that surface composition and morphology of biochars can be regulated with GNS and may enhance their adsorption capacity, thus could be considered for effective environmental remediation of various organic contaminants.

Formation of continuous activated carbon fibers for barrier fabrics

NASA Astrophysics Data System (ADS)

Liang, Ying

1997-08-01

Commercial protective suits made of active carbon granules or nonwoven fabrics are heavy, have low moisture vapor transport rate, and are uncomfortable. Inherent problems due to construction of barrier fabrics lead to severe heat stress when worn for even short time in warm environments. One proposed method to eliminate these problems is to facilitate the construction of a fabric made of continuous activated carbon fibers (CACF). This study is directed toward investigating the possibility of developing CAFC from two precursors: aramid and fibrillated PAN fiber. It was shown in this study that Kevlar-29 fibers could be quickly carbonized and activated to CACF with high adsorptivity and relatively low weight loss. CACF with high surface area (>500 msp2/g) and reasonable tenacity (≈1g/denier) were successfully prepared from Kevlar fibers through a three-step process: pretreatment, carbonization, and activation. X-ray diffraction, Fourier Transform Infrared Spectroscopy (FTIR), and thermal analysis were conducted to understand the evolution of physical and chemical properties during pretreatment. The influence of temperature, heating rate, and pyrolysis environment on the thermal behavior was determined by DSC and TGA/DTA and used as an indicator for optimizing the pyrolysis conditions. Surface analysis by nitrogen isotherms indicated that the resultant fibers had micropores and mesopores on the surface of CACF. This was also inferred by studies on the surface morphology through Scanning Electron Microscopy (SEM) and Scanning Tunneling Microscopy (STM). An investigation of the surface chemical structure by X-ray photoelectron spectroscopy (XPS) before and after activation and elemental analysis confirmed that adsorption of Kevlar based CACF mainly arises due to the physisorption instead of chemisorption. A multistep stabilization along with carbonization and activation was used to prepare active carbon fiber from fibrillated PAN fiber. The resultant fiber retained its fibrillar structure and provided a very high surface area, up to 1400 msp2/g, but was brittle. The characterization of the thermal behavior, mechanical properties, and surface structure of the pyrolyzed fiber at each processing step was also carried out by using various techniques, such as DSC and TGA, Instron, and SEM. These studies provide directions for preparation of CACF from novel precursors.

Evaluation of concrete cover by surface wave technique: Identification procedure

NASA Astrophysics Data System (ADS)

Piwakowski, Bogdan; Kaczmarek, Mariusz; Safinowski, Paweł

2012-05-01

Concrete cover degradation is induced by aggressive agents in ambiance, such as moisture, chemicals or temperature variations. Due to degradation usually a thin (a few millimeters thick) surface layer has porosity slightly higher than the deeper sound material. The non destructive evaluation of concrete cover is vital to monitor the integrity of concrete structures and prevent their irreversible damage. In this paper the methodology applied by the classical technique used for ground structure recovery called Multichanel Analysis of Surface Waves is discussed as the NDT tool in civil engineering domain to characterize the concrete cover. In order to obtain the velocity as a function of sample depth the dispersion of surface waves is used as an input for solving inverse problem. The paper describes the inversion procedure and provides the practical example of use of developed system.

SILAR derived CdO films: Effect of triethanolamine on the surface morphology and optical bandgap energy

NASA Astrophysics Data System (ADS)

Sahin, B.; Aydin, R.

2018-07-01

Nanostructured CdO films have been successfully synthesized with different ratios of surfactant triethanolamine (TEA) under SILAR condition. The influence of addition of TEA on the physical properties of CdO nanoparticles was studied. The surface morphology of the films was studied by metallurgical microscope and SEM analysis. Surface topography of the film was studied by AFM. The structural properties of the samples were studied by X-ray diffraction (XRD). The XRD studies confirm that the deposited CdO films has cubic structure (111) preferred orientation with well-crystallinity and purity. The optical bandgap energy was estimated based on the UV-vis spectroscopies which were obtained in the range of 2.16 eV-2.46 eV. Our study is encouraging to get enhanced surface topography by surfactant TEA.

Influence of Carbon Nanotubes on the Structure Formation of Cement Matrix

NASA Astrophysics Data System (ADS)

Petrunin, S.; Vaganov, V.; Reshetniak, V.; Zakrevskaya, L.

2015-11-01

The potential of application of CNTs as a reinforcing agent in cement composites is governed by their unique mechanical and electronic properties. The analysis of concrete strength changes under CNTs introduction shows non-uniformity and sometimes inconsistency of results. Due to the fact that CNTs influence the hydration kinetics, structure and phase composition of concrete, an idea concerning the importance of interaction between the surface of CNTs and hydrate ions formed by the dissolution of the clinker phases has been suggested. In this paper, the theoretical and experimental study of interaction between hydrate ions and CNTs surface is discussed. Reference nanotubes and nanotubes functionalized by carboxylic groups are used in this research. Phase composition was determined by X-Ray analysis according to the Rietveld method. It was found that the presence of oxygen-containing functional groups on CNTs surface leads to intensification of the hydration process and increase in concentration of C-S-H gel from 65.9% to 74.4%. Special attention is usually paid to interactions between Ca2+ ions and CNTs, because the hardening rate and structure of cement stone are determined by principle of Ca2+ localization in the solution. In this paper the possible binding mechanisms are discussed. Based on the experimental results, the hypothesis regarding the formation of cement composite structure for different CNTs surface functionalizations is considered. According to this hypothesis, the CNTs act as the centers of crystallization for hydration products contributing to the acceleration of hydration, increase of the concentration of C-S-H gel and strength improvement of CNTs based composites.

Development of an integrated BEM approach for hot fluid structure interaction

NASA Technical Reports Server (NTRS)

Dargush, G. F.; Banerjee, P. K.; Shi, Y.

1990-01-01

A comprehensive boundary element method is presented for transient thermoelastic analysis of hot section Earth-to-Orbit engine components. This time-domain formulation requires discretization of only the surface of the component, and thus provides an attractive alternative to finite element analysis for this class of problems. In addition, steep thermal gradients, which often occur near the surface, can be captured more readily since with a boundary element approach there are no shape functions to constrain the solution in the direction normal to the surface. For example, the circular disc analysis indicates the high level of accuracy that can be obtained. In fact, on the basis of reduced modeling effort and improved accuracy, it appears that the present boundary element method should be the preferred approach for general problems of transient thermoelasticity.

Use of Ambient Ionization High-Resolution Mass Spectrometry for the Kinetic Analysis of Organic Surface Reactions.

PubMed

Sen, Rickdeb; Escorihuela, Jorge; Smulders, Maarten M J; Zuilhof, Han

2016-04-12

In contrast to homogeneous systems, studying the kinetics of organic reactions on solid surfaces remains a difficult task due to the limited availability of appropriate analysis techniques that are general, high-throughput, and capable of offering quantitative, structural surface information. Here, we demonstrate how direct analysis in real time mass spectrometry (DART-MS) complies with above considerations and can be used for determining interfacial kinetic parameters. The presented approach is based on the use of a MS tag that--in principle--allows application to other reactions. To show the potential of DART-MS, we selected the widely applied strain-promoted alkyne-azide cycloaddition (SPAAC) as a model reaction to elucidate the effects of the nanoenvironment on the interfacial reaction rate.

Radiographic analysis of sedimentary structures and depositional histories in Apollo 15 cores

NASA Technical Reports Server (NTRS)

Coch, N. K.

1977-01-01

Radiographs of the Apollo 15 deepdrill drive tubes were analyzed on an SDS electronic enhancer to determine sedimentary structures in the core samples. The data obtained were compared with all other Apollo mission radiographs and used to make inferences on the character of sedimentary depositional processes on the lunar surface.

Sex differences and structural brain maturation from childhood to early adulthood.

PubMed

Koolschijn, P Cédric M P; Crone, Eveline A

2013-07-01

Recent advances in structural brain imaging have demonstrated that brain development continues through childhood and adolescence. In the present cross-sectional study, structural MRI data from 442 typically developing individuals (range 8-30) were analyzed to examine and replicate the relationship between age, sex, brain volumes, cortical thickness and surface area. Our findings show differential patterns for subcortical and cortical areas. Analysis of subcortical volumes showed that putamen volume decreased with age and thalamus volume increased with age. Independent of age, males demonstrated larger amygdala and thalamus volumes compared to females. Cerebral white matter increased linearly with age, at a faster pace for females than males. Gray matter showed nonlinear decreases with age. Sex-by-age interactions were primarily found in lobar surface area measurements, with males demonstrating a larger cortical surface up to age 15, while cortical surface in females remained relatively stable with increasing age. The current findings replicate some, but not all prior reports on structural brain development, which calls for more studies with large samples, replications, and specific tests for brain structural changes. In addition, the results point toward an important role for sex differences in brain development, specifically during the heterogeneous developmental phase of puberty. Copyright © 2013 Elsevier Ltd. All rights reserved.

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.

On the molecular origins of biomass recalcitrance: the interaction network and solvation structures of cellulose microfibrils.

PubMed

Gross, Adam S; Chu, Jhih-Wei

2010-10-28

Biomass recalcitrance is a fundamental bottleneck to producing fuels from renewable sources. To understand its molecular origin, we characterize the interaction network and solvation structures of cellulose microfibrils via all-atom molecular dynamics simulations. The network is divided into three components: intrachain, interchain, and intersheet interactions. Analysis of their spatial dependence and interaction energetics indicate that intersheet interactions are the most robust and strongest component and do not display a noticeable dependence on solvent exposure. Conversely, the strength of surface-exposed intrachain and interchain hydrogen bonds is significantly reduced. Comparing the interaction networks of I(β) and I(α) cellulose also shows that the number of intersheet interactions is a clear descriptor that distinguishes the two allomorphs and is consistent with the observation that I(β) is the more stable form. These results highlight the dominant role of the often-overlooked intersheet interactions in giving rise to biomass recalcitrance. We also analyze the solvation structures around the surfaces of microfibrils and show that the structural and chemical features at cellulose surfaces constrict water molecules into specific density profiles and pair correlation functions. Calculations of water density and compressibility in the hydration shell show noticeable but not drastic differences. Therefore, specific solvation structures are more prominent signatures of different surfaces.

Experimental and QSAR study on the surface activities of alkyl imidazoline surfactants

NASA Astrophysics Data System (ADS)

Kong, Xiangjun; Qian, Chengduo; Fan, Weiyu; Liang, Zupei

2018-03-01

15 alkyl imidazoline surfactants with different structures were synthesized and their critical micelle concentration (CMC) and surface tension under the CMC (σcmc) in aqueous solution were measured at 298 K. 54 kinds of molecular structure descriptors were selected as independent variables and the quantitative structure-activity relationship (QSAR) between surface activities of alkyl imidazoline and molecular structure were built through the genetic function approximation (GFA) method. Experimental results showed that the maximum surface excess of alkyl imidazoline molecules at the gas-liquid interface increased and the area occupied by each surfactant molecule and the free energies of micellization ΔGm decreased with increasing carbon number (NC) of the hydrophobic chain or decreasing hydrophilicity of counterions, which resulted in a CMC and σcmc decrease, while the log CMC and NC had a linear relationship and a negative correlation. The GFA-QSAR model, which was generated by a training set composed of 13 kinds of alkyl imidazoline though GFA method regression analysis, was highly correlated with predicted values and experimental values of the CMC. The correlation coefficient R was 0.9991, which means high prediction accuracy. The prediction error of 2 kinds of alkyl imidazoline CMCs in the Validation Set that quantitatively analyzed the influence of the alkyl imidazoline molecular structure on the CMC was less than 4%.

Spatial distribution of the wave field of the surface modes sustaining filamentary discharges

NASA Astrophysics Data System (ADS)

Lishev, St.; Shivarova, A.; Tarnev, Kh.

2008-01-01

The study presents the electrodynamical description of surface-wave-sustained discharges contracted in filamentary structures. The results are for the spatial distribution of the wave field and for the wave propagation characteristics obtained from a two-dimensional model developed for describing surface-wave behavior in plasmas with an arbitrary distribution of the plasma density. In accordance with the experimental observations of filamentary discharges, the plasma density distribution considered is completed by cylindrically shaped gas-discharge channels extended along the discharge length and positioned in the out-of-center region of the discharge, equidistantly in an azimuthal direction. Due to the two-dimensional inhomogeneity of the plasma density of the filamentary structure, the eigen surface mode of the structure is a hybrid wave, with all—six—field components. For identification of its behavior, the surface wave properties in the limiting cases of a plasma ring and a single filament—both radially inhomogeneous—are involved in the discussions. The presentation of the results is for filamentary structures with a decreasing number of filaments (from 10 to 2) starting with the plasma ring, the latter supporting propagation of an azimuthally symmetric wave. Due to the resonance absorption of the surface waves, always present because of the smooth variation of the plasma density, the contours of the critical density are those guiding the surface wave propagation. Decreasing number of filaments in the structure leads to localization of the amplitudes of the wave-field components around the filaments. By analogy with the spatial distribution of the wave field in the plasma ring, the strong resonance enhancement of the wave-field components is along that part of the contour of the critical density which is far off the center of the filamentary structure. The analysis of the spatial distribution of the field components of the filamentary structure shows that the hybrid wave is an eigenmode of the whole structure, i.e., the wave field does not appear as a superposition of fields of eigenmodes of the separated filaments completing it. It is stressed that the spatial distribution of the field components of the eigen hybrid mode of the filamentary structure has an azimuthally symmetric background field.

Surface microstructure of bitumen characterized by atomic force microscopy.

PubMed

Yu, Xiaokong; Burnham, Nancy A; Tao, Mingjiang

2015-04-01

Bitumen, also called asphalt binder, plays important roles in many industrial applications. It is used as the primary binding agent in asphalt concrete, as a key component in damping systems such as rubber, and as an indispensable additive in paint and ink. Consisting of a large number of hydrocarbons of different sizes and polarities, together with heteroatoms and traces of metals, bitumen displays rich surface microstructures that affect its rheological properties. This paper reviews the current understanding of bitumen's surface microstructures characterized by Atomic Force Microscopy (AFM). Microstructures of bitumen develop to different forms depending on crude oil source, thermal history, and sample preparation method. While some bitumens display surface microstructures with fine domains, flake-like domains, and dendrite structuring, 'bee-structures' with wavy patterns several micrometers in diameter and tens of nanometers in height are commonly seen in other binders. Controversy exists regarding the chemical origin of the 'bee-structures', which has been related to the asphaltene fraction, the metal content, or the crystallizing waxes in bitumen. The rich chemistry of bitumen can result in complicated intermolecular associations such as coprecipitation of wax and metalloporphyrins in asphaltenes. Therefore, it is the molecular interactions among the different chemical components in bitumen, rather than a single chemical fraction, that are responsible for the evolution of bitumen's diverse microstructures, including the 'bee-structures'. Mechanisms such as curvature elasticity and surface wrinkling that explain the rippled structures observed in polymer crystals might be responsible for the formation of 'bee-structures' in bitumen. Despite the progress made on morphological characterization of bitumen using AFM, the fundamental question whether the microstructures observed on bitumen surfaces represent its bulk structure remains to be addressed. In addition, critical technical challenges associated with AFM characterization of bitumen surface structures are discussed, with possible solutions recommended. For future work, combining AFM with other chemical analysis tools that can generate comparable high resolution to AFM would provide an avenue to linking bitumen's chemistry to its microscopic morphological and mechanical properties and consequently benefit the efforts of developing structure-related models for bituminous materials across the different length scales. Copyright © 2015 Elsevier B.V. All rights reserved.

Effect of etching parameters on antireflection properties of Si subwavelength grating structures for solar cell applications

NASA Astrophysics Data System (ADS)

Leem, J. W.; Song, Y. M.; Lee, Y. T.; Yu, J. S.

2010-09-01

Silicon (Si) subwavelength grating (SWG) structures were fabricated on Si substrates by holographic lithography and subsequent inductively coupled plasma (ICP) etching process using SiCl4 with or without Ar addition for solar cell applications. To ensure a good nanosized pattern transfer into the underlying Si layer, the etch selectivity of Si over the photoresist mask is optimized by varying the etching parameters, thus improving antireflection characteristics. For antireflection analysis of Si SWG surfaces, the optical reflectivity is measured experimentally and it is also calculated theoretically by a rigorous coupled-wave analysis. The reflectance depends on the height, period, and shape of two-dimensional periodic Si subwavelength structures, correlated with ICP etching parameters. The optimized Si SWG structure exhibits a dramatic decrease in optical reflection of the Si surface over a wide angle of incident light ( θ i ), i.e. less than 5% at wavelengths of 300-1100 nm, leading to good wide-angle antireflection characteristics (i.e. solar-weighted reflection of 1.7-4.9% at θ i <50°) of Si solar cells.

Preparation of nickel oxide thin films at different annealing temperature by sol-gel spin coating method

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

Abdullah, M. A. R., E-mail: ameerridhwan89@gmail.com; Mamat, M. H., E-mail: hafiz-030@yahoo.com; Ismail, A. S., E-mail: kyrin-samaxi@yahoo.com

2016-07-06

Preparation of NiO thin films at different annealing temperature by sol-gel method was conducted to synthesize the quality of the surface thin films. The effects of annealing temperature on the surface topology were systematically investigated. Our studies confirmed that the surface roughness of the thin films was increased whenever annealing temperature was increase. NiO thin films morphology structure analysis was confirmed by field emission scanning electron microscope. Surface roughness of the thin films was investigated by atomic force microscopy.

Analysis of composite/difference field scattering properties between a slightly rough optical surface and multi-body defects.

PubMed

Gong, Lei; Wu, Zhensen; Gao, Ming; Qu, Tan

2018-03-20

The effective extraction of optical surface roughness and defect characteristic provide important realistic values to improve optical system efficiency. Based on finite difference time domain/multi-resolution time domain (FDTD/MRTD) mixed approach, composite scattering between a slightly rough optical surface and multi-body defect particles with different positions is investigated. The scattering contribution of defect particles or the slightly rough optical surface is presented. Our study provides a theoretical and technological basis for the nondestructive examination and optical performance design of nanometer structures.

The structure and properties of boron carbide ceramics modified by high-current pulsed electron-beam

NASA Astrophysics Data System (ADS)

Ivanov, Yuri; Tolkachev, Oleg; Petyukevich, Maria; Teresov, Anton; Ivanova, Olga; Ikonnikova, Irina; Polisadova, Valentina

2016-01-01

The present work is devoted to numerical simulation of temperature fields and the analysis of structural and strength properties of the samples surface layer of boron carbide ceramics treated by the high-current pulsed electron-beam of the submillisecond duration. The samples made of sintered boron carbide ceramics are used in these investigations. The problem of calculating the temperature field is reduced to solving the thermal conductivity equation. The electron beam density ranges between 8…30 J/cm2, while the pulse durations are 100…200 μs in numerical modelling. The results of modelling the temperature field allowed ascertaining the threshold parameters of the electron beam, such as energy density and pulse duration. The electron beam irradiation is accompanied by the structural modification of the surface layer of boron carbide ceramics either in the single-phase (liquid or solid) or two-phase (solid-liquid) states. The sample surface of boron carbide ceramics is treated under the two-phase state (solid-liquid) conditions of the structural modification. The surface layer is modified by the high-current pulsed electron-beam produced by SOLO installation at the Institute of High Current Electronics of the Siberian Branch of the Russian Academy of Sciences, Tomsk, Russia. The elemental composition and the defect structure of the modified surface layer are analyzed by the optical instrument, scanning electron and transmission electron microscopes. Mechanical properties of the modified layer are determined measuring its hardness and crack resistance. Research results show that the melting and subsequent rapid solidification of the surface layer lead to such phenomena as fragmentation due to a crack network, grain size reduction, formation of the sub-grained structure due to mechanical twinning, and increase of hardness and crack resistance.

Stacking and T-shape competition in aromatic-aromatic amino acid interactions.

PubMed

Chelli, Riccardo; Gervasio, Francesco Luigi; Procacci, Piero; Schettino, Vincenzo

2002-05-29

The potential of mean force of interacting aromatic amino acids is calculated using molecular dynamics simulations. The free energy surface is determined in order to study stacking and T-shape competition for phenylalanine-phenylalanine (Phe-Phe), phenylalanine-tyrosine (Phe-Tyr), and tyrosine-tyrosine (Tyr-Tyr) complexes in vacuo, water, carbon tetrachloride, and methanol. Stacked structures are favored in all solvents with the exception of the Tyr-Tyr complex in carbon tetrachloride, where T-shaped structures are also important. The effect of anchoring the two alpha-carbons (C(alpha)) at selected distances is investigated. We find that short and large C(alpha)-C(alpha) distances favor stacked and T-shaped structures, respectively. We analyze a set of 2396 protein structures resolved experimentally. Comparison of theoretical free energies for the complexes to the experimental analogue shows that Tyr-Tyr interaction occurs mainly at the protein surface, while Phe-Tyr and Phe-Phe interactions are more frequent in the hydrophobic protein core. This is confirmed by the Voronoi polyhedron analysis on the database protein structures. As found from the free energy calculation, analysis of the protein database has shown that proximal and distal interacting aromatic residues are predominantly stacked and T-shaped, respectively.

Experimental investigation of supersonic flow over elliptic surface

NASA Astrophysics Data System (ADS)

Zhang, Qinghu; Yi, Shihe; He, Lin; Zhu, Yangzhu; Chen, Zhi

2013-11-01

The coherent structures of flow over a compression elliptic surface are experimentally investigated in a supersonic low-noise wind tunnel at Mach Number 3 using nano-tracer planar laser scattering (NPLS) and particle image velocimetry (PIV) techniques. High spacial resolution images and the average velocity profiles of both laminar inflow and turbulent inflow over the testing model were captured. From statistically significant ensembles, spatial correlation analysis of both cases is performed to quantify the mean size and orientation of large structures. The results indicate that the mean structure is elliptical in shape and structure angles in separated region of laminar inflow are slightly smaller than that of turbulent inflow. Moreover, the structure angle of both cases increases with its distance away from from the wall. POD analysis of velocity and vorticity fields is performed for both cases. The energy portion of the first mode for the velocity data is much larger than that for the vorticity field. For vorticity decompositions, the contribution from the first mode for the laminar inflow is slightly larger than that for the turbulent inflow and the cumulative contributions for laminar inflow converges slightly faster than that for turbulent inflow

Theoretical analyses of localized surface plasmon resonance spectrum with nanoparticles imprinted polymers

NASA Astrophysics Data System (ADS)

Li, Hong; Peng, Wei; Wang, Yanjie; Hu, Lingling; Liang, Yuzhang; Zhang, Xinpu; Yao, Wenjuan; Yu, Qi; Zhou, Xinlei

2011-12-01

Optical sensors based on nanoparticles induced Localized Surface Plasmon Resonance are more sensitive to real-time chemical and biological sensing, which have attracted intensive attentions in many fields. In this paper, we establish a simulation model based on nanoparticles imprinted polymer to increase sensitivity of the LSPR sensor by detecting the changes of Surface Plasmon Resonance signals. Theoretical analysis and numerical simulation of parameters effects to absorption peak and light field distribution are highlighted. Two-dimensional simulated color maps show that LSPR lead to centralization of the light energy around the gold nanoparticles, Transverse Magnetic wave and total reflection become the important factors to enhance the light field in our simulated structure. Fast Fourier Transfer analysis shows that the absorption peak of the surface plasmon resonance signal resulted from gold nanoparticles is sharper while its wavelength is bigger by comparing with silver nanoparticles; a double chain structure make the amplitude of the signals smaller, and make absorption wavelength longer; the absorption peak of enhancement resulted from nanopore arrays has smaller wavelength and weaker amplitude in contrast with nanoparticles. These simulation results of the Localized Surface Plasmon Resonance can be used as an enhanced transduction mechanism for enhancement of sensitivity in recognition and sensing of target analytes in accordance with different requirements.

Integrated thermal disturbance analysis of optical system of astronomical telescope

NASA Astrophysics Data System (ADS)

Yang, Dehua; Jiang, Zibo; Li, Xinnan

2008-07-01

During operation, astronomical telescope will undergo thermal disturbance, especially more serious in solar telescope, which may cause degradation of image quality. As drives careful thermal load investigation and measure applied to assess its effect on final image quality during design phase. Integrated modeling analysis is boosting the process to find comprehensive optimum design scheme by software simulation. In this paper, we focus on the Finite Element Analysis (FEA) software-ANSYS-for thermal disturbance analysis and the optical design software-ZEMAX-for optical system design. The integrated model based on ANSYS and ZEMAX is briefed in the first from an overview of point. Afterwards, we discuss the establishment of thermal model. Complete power series polynomial with spatial coordinates is introduced to present temperature field analytically. We also borrow linear interpolation technique derived from shape function in finite element theory to interface the thermal model and structural model and further to apply the temperatures onto structural model nodes. Thereby, the thermal loads are transferred with as high fidelity as possible. Data interface and communication between the two softwares are discussed mainly on mirror surfaces and hence on the optical figure representation and transformation. We compare and comment the two different methods, Zernike polynomials and power series expansion, for representing and transforming deformed optical surface to ZEMAX. Additionally, these methods applied to surface with non-circular aperture are discussed. At the end, an optical telescope with parabolic primary mirror of 900 mm in diameter is analyzed to illustrate the above discussion. Finite Element Model with most interested parts of the telescope is generated in ANSYS with necessary structural simplification and equivalence. Thermal analysis is performed and the resulted positions and figures of the optics are to be retrieved and transferred to ZEMAX, and thus final image quality is evaluated with thermal disturbance.

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.

Imaging and reconstruction of cell cortex structures near the cell surface

NASA Astrophysics Data System (ADS)

Jin, Luhong; Zhou, Xiaoxu; Xiu, Peng; Luo, Wei; Huang, Yujia; Yu, Feng; Kuang, Cuifang; Sun, Yonghong; Liu, Xu; Xu, Yingke

2017-11-01

Total internal reflection fluorescence microscopy (TIRFM) provides high optical sectioning capability and superb signal-to-noise ratio for imaging of cell cortex structures. The development of multi-angle (MA)-TIRFM permits high axial resolution imaging and reconstruction of cellular structures near the cell surface. Cytoskeleton is composed of a network of filaments, which are important for maintenance of cell function. The high-resolution imaging and quantitative analysis of filament organization would contribute to our understanding of cytoskeleton regulation in cell. Here, we used a custom-developed MA-TIRFM setup, together with stochastic photobleaching and single molecule localization method, to enhance the lateral resolution of TIRFM imaging to about 100 nm. In addition, we proposed novel methods to perform filament segmentation and 3D reconstruction from MA-TIRFM images. Furthermore, we applied these methods to study the 3D localization of cortical actin and microtubule structures in U373 cancer cells. Our results showed that cortical actins localize ∼ 27 nm closer to the plasma membrane when compared with microtubules. We found that treatment of cells with chemotherapy drugs nocodazole and cytochalasin B disassembles cytoskeletal network and induces the reorganization of filaments towards the cell periphery. In summary, this study provides feasible approaches for 3D imaging and analyzing cell surface distribution of cytoskeletal network. Our established microscopy platform and image analysis toolkits would facilitate the study of cytoskeletal network in cells.

Multi-method characterization of a landslide in Champagne vineyards: the case study of the Jacotines landslide (Marne, France)

NASA Astrophysics Data System (ADS)

Nicolas, Bollot; Guillaume, Pierre; Gilles, Grandjean

2014-05-01

Key words : landslide, Champagne vineyards , geomorphology, geophysical data, superficial structure The Champagne region is strongly impacted by landslides. Usually inactive, these landslides suffer from partial reactivations leading to important damages, especially when they occur in the vineyards. In the Marne valley, and particularly in the center of Champagne vineyards area (Reuil), the Jacotines site is representative of such landslides since it presents typical surface characteristics widely observed in the region. However, its size, and especially its internal structure, can't be deduced from the surface analysis only. The aim of this work is to combine surface patterns analysis, geophysical data and borehole data to produce an interpretative model of the landslide. Preliminary geomorphological cartography was used for determining the influence of the landslide. From this information, geophysical investigations were carried out to image the internal structure of the landslide. Geophysical data fusion (combination of seismic and geoelectrical tomograms) was used to estimate the mechanical behavior and the fissuring pattern of the slope. Three transverse and longitudinal tomograms were used to define an heterogeneous area between 20 and 50 meters depth and a weathered zone from 0 to 10-20 meters depth. A 60 meters depth borehole on the main transverse tomogram found the shear plane and clarified the structure of the heterogeneous area as well as the uppermost weathered layer composed by debris flows resulting from partial reactivations processes.

Crystal structure at 2.8 A of the DLLRKN-containing coiled-coil domain of huntingtin-interacting protein 1 (HIP1) reveals a surface suitable for clathrin light chain binding.

PubMed

Ybe, Joel A; Mishra, Sanjay; Helms, Stephen; Nix, Jay

2007-03-16

Huntingtin interacting protein 1 (HIP1) is a member of a family of proteins whose interaction with Huntingtin is critical to prevent cells from initiating apoptosis. HIP1, and related protein HIP12/1R, can also bind to clathrin and membrane phospholipids, and HIP12/1R links the CCV to the actin cytoskeleton. HIP1 and HIP12/1R interact with the clathrin light chain EED regulatory site and stimulate clathrin lattice assembly. Here, we report the X-ray structure of the coiled-coil domain of HIP1 (residues 482-586) that includes residues crucial for binding clathrin light chain. The dimeric HIP1 crystal structure is partially splayed open. The comparison of the HIP1 model with coiled-coil predictions revealed the heptad repeat in the dimeric trunk (S2 path) is offset relative to the register of the heptad repeat from the N-terminal portion (S1 path) of the molecule. Furthermore, surface analysis showed there is a third hydrophobic path (S3) running parallel with S1 and S2. We present structural evidence supporting a role for the S3 path as an interaction surface for clathrin light chain. Finally, comparative analysis suggests the mode of binding between sla2p and clathrin light chain may be different in yeast.

A Burke-Schumann Analysis of Dual-Flame Structure Supported by a Burning Droplet

NASA Technical Reports Server (NTRS)

Nayagam, V.; Dietrich, D.; Williams, F. A.

2016-01-01

Droplet combustion experiments carried out onboard the International Space Station (ISS), using pure fuels and fuel mixtures, have shown that quasi-steady burning can be sustained by a non-traditional flame configuration, namely a "cool flame" burning in the "partial-burning" regime where both fuel and oxygen leak through the low-temperature controlled flame-sheet. Recent experiments involving large, bi-component fuel (n-decane and hexanol, 50/50 by volume) droplets at elevated pressures show that the visible, hot flame becomes extremely weak while the burning rate remains relatively high, suggesting the possibility of simultaneous presence of "cool" and "hot" flames of roughly equal importance. The radiant output from these bi-component droplets is relatively high and cannot be accounted for only by the presence of a visible hot-flame. In this analysis we explore the theoretical possibility of a dual-flame structure, where one flame lies close to the droplet surface called the "cool-flame," and other farther away from the droplet surface, termed the "hot-flame." A Burke-Schumann analysis of this dual-structure seems to indicate such flame structures are possible over a narrow range of initial conditions. Theoretical results can be compared against available experimental data for pure and bi-component fuel droplet combustion to test how realistic the model may be.

Hydrogen bonding interactions and supramolecular assemblies in 2-amino guanidinium 4-methyl benzene sulphonate crystal structure: Hirshfeld surfaces and computational calculations

NASA Astrophysics Data System (ADS)

Muthuraja, P.; Joselin Beaula, T.; Balachandar, S.; Bena Jothy, V.; Dhandapani, M.

2017-10-01

2-aminoguanidinium 4-methyl benzene sulphonate (AGMS), an organic compound with big assembly of hydrogen bonding interactions was crystallized at room temperature. The structure of the compound was confirmed by FT-IR, NMR and single crystal X-ray diffraction analysis. Numerous hydrogen bonded interactions were found to form supramolecular assemblies in the molecular structure. Fingerprint plots of Hirshfeld surface analysis spells out the interactions in various directions. The molecular structure of AGMS was optimised by HF, MP2 and DFT (B3LYP and CAM-B3LYP) methods at 6-311G (d,p) basis set and the geometrical parameters were compared. Electrostatic potential calculations of the reactants and product confirm the transfer of proton. Optical properties of AGMS were ascertained by UV-Vis absorbance and reflectance spectra. The band gap of AGMS is found to be 2.689 eV. Due to numerous hydrogen bonds, the crystal is thermally stable up to 200 °C. Hyperconjugative interactions which are responsible for the second hyperpolarizabilities were accounted by NBO analysis. Static and frequency dependent optical properties were calculated at HF and DFT methods. The hyperpolarizabilities of AGMS increase rapidly at frequencies 0.0428 and 0.08 a.u. compared to static one. The compound exhibits violet and blue emission.

Structural, mechanical and magnetic study on galvanostatic electroplated nanocrystalline NiFeP thin films

NASA Astrophysics Data System (ADS)

Kalaivani, A.; Senguttuvan, G.; Kannan, R.

2018-03-01

Nickel based alloys has a huge applications in microelectronics and micro electromechanical systems owing to its superior soft magnetic properties. With the advantages of simplicity, cost-effectiveness and controllable patterning, electroplating processes has been chosen to fabricate thin films in our work. The soft magnetic NiFeP thin film was successfully deposited over the surface of copper plate through galvanostatic electroplating method by applying constant current density of 10 mA cm-2 for a deposition rate for half an hour. The properties of the deposited NiFeP thin films were analyzed by subjecting it into different physio-chemical characterization such as XRD, SEM, EDAX, AFM and VSM. XRD pattern confirms the formation of NiFeP particles and the structural analysis reveals that the NiFeP particles were uniformly deposited over the surface of copper substrate. The surface roughness analysis of the NiFeP films was done using AFM analysis. The magnetic studies and the hardness of the thin film were evaluated from the VSM and hardness test. The NiFeP thin films possess lower coercivity with higher magnetization value of 69. 36 × 10-3 and 431.92 Gauss.

Analysis

NASA Astrophysics Data System (ADS)

Abdelazeem, Maha; El-Sawy, El-Sawy K.; Gobashy, Mohamed M.

2013-06-01

Ar Rika fault zone constitutes one of the two major parts of the NW-SE Najd fault system (NFS), which is one of the most prominent structural features located in the east of the center of the Arabian Shield, Saudi Arabia. By using Enhancement Thematic Mapper data (ETM+) and Principle Component Analysis (PCA), surface geological characteristics, distribution of rock types, and the different trends of linear features and faults are determined in the study area. First and second order magnetic gradients of the geomagnetic field at the North East of Wadi Ar Rika have been calculated in the frequency domain to map both surface and subsurface lineaments and faults. Lineaments as deduced from previous studies, suggest an extension of the NFS beneath the cover rocks in the study area. In the present study, integration of magnetic gradients and remote sensing analysis that resulted in different valuable derivative maps confirm the subsurface extension of some of the surface features. The 3D Euler deconvolution, the total gradient, and the tilt angle maps have been utilized to determine accurately the distribution of shear zones, the tectonic implications, and the internal structures of the terranes in the Ar Rika quadrangle in three dimensions.

Nondestructive surface analysis for material research using fiber optic vibrational spectroscopy

NASA Astrophysics Data System (ADS)

Afanasyeva, Natalia I.

2001-11-01

The advanced methods of fiber optical vibrational spectroscopy (FOVS) has been developed in conjunction with interferometer and low-loss, flexible, and nontoxic optical fibers, sensors, and probes. The combination of optical fibers and sensors with Fourier Transform (FT) spectrometer has been used in the range from 2.5 to 12micrometers . This technique serves as an ideal diagnostic tool for surface analysis of numerous and various diverse materials such as complex structured materials, fluids, coatings, implants, living cells, plants, and tissue. Such surfaces as well as living tissue or plants are very difficult to investigate in vivo by traditional FT infrared or Raman spectroscopy methods. The FOVS technique is nondestructive, noninvasive, fast (15 sec) and capable of operating in remote sampling regime (up to a fiber length of 3m). Fourier transform infrared (FTIR) and Raman fiber optic spectroscopy operating with optical fibers has been suggested as a new powerful tool. These techniques are highly sensitive techniques for structural studies in material research and various applications during process analysis to determine molecular composition, chemical bonds, and molecular conformations. These techniques could be developed as a new tool for quality control of numerous materials as well as noninvasive biopsy.

Polymer surface functionalities that control human embryoid body cell adhesion revealed by high throughput surface characterization of combinatorial material microarrays

PubMed Central

Yang, Jing; Mei, Ying; Hook, Andrew L.; Taylor, Michael; Urquhart, Andrew J.; Bogatyrev, Said R.; Langer, Robert; Anderson, Daniel G.; Davies, Martyn C.; Alexander, Morgan R.

2010-01-01

High throughput materials discovery using combinatorial polymer microarrays to screen for new biomaterials with new and improved function is established as a powerful strategy. Here we combine this screening approach with high throughput surface characterisation (HT-SC) to identify surface structure-function relationships. We explore how this combination can help to identify surface chemical moieties that control protein adsorption and subsequent cellular response. The adhesion of human embryoid body (hEB) cells to a large number (496) of different acrylate polymers synthesized in a microarray format is screened using a high throughput procedure. To determine the role of the polymer surface properties on hEB cell adhesion, detailed HT-SC of these acrylate polymers is carried out using time of flight secondary ion mass spectrometry (ToF SIMS), x-ray photoelectron spectroscopy (XPS), pico litre drop sessile water contact angle (WCA) measurement and atomic force microscopy (AFM). A structure-function relationship is identified between the ToF SIMS analysis of the surface chemistry after a fibronectin (Fn) pre-conditioning step and the cell adhesion to each spot using the multivariate analysis technique partial least squares (PLS) regression. Secondary ions indicative of the adsorbed Fn correlate with increased cell adhesion whereas glycol and other functionalities from the polymers are identified that reduce cell adhesion. Furthermore, a strong relationship between the ToF SIMS spectra of bare polymers and the cell adhesion to each spot is identified using PLS regression. This identifies a role for both the surface chemistry of the bare polymer and the pre-adsorbed Fn, as-represented in the ToF SIMS spectra, in controlling cellular adhesion. In contrast, no relationship is found between cell adhesion and wettability, surface roughness, elemental or functional surface composition. The correlation between ToF SIMS data of the surfaces and the cell adhesion demonstrates the ability of identifying surface moieties that control protein adsorption and subsequent cell adhesion using ToF SIMS and multivariate analysis. PMID:20832108

Facial Structure Analysis Separates Autism Spectrum Disorders into Meaningful Clinical Subgroups

ERIC Educational Resources Information Center

Obafemi-Ajayi, Tayo; Miles, Judith H.; Takahashi, T. Nicole; Qi, Wenchuan; Aldridge, Kristina; Zhang, Minqi; Xin, Shi-Qing; He, Ying; Duan, Ye

2015-01-01

Varied cluster analysis were applied to facial surface measurements from 62 prepubertal boys with essential autism to determine whether facial morphology constitutes viable biomarker for delineation of discrete Autism Spectrum Disorders (ASD) subgroups. Earlier study indicated utility of facial morphology for autism subgrouping (Aldridge et al. in…

Fostering Deeper Critical Inquiry with Causal Layered Analysis

ERIC Educational Resources Information Center

Haigh, Martin

2016-01-01

Causal layered analysis (CLA) is a technique that enables deeper critical inquiry through a structured exploration of four layers of causation. CLA's layers reach down from the surface litany of media understanding, through the layer of systemic causes identified by conventional research, to underpinning worldviews, ideologies and philosophies,…

Expression and mutagenesis of the sea anemone toxin Av2 reveals key amino acid residues important for activity on voltage-gated sodium channels.

PubMed

Moran, Yehu; Cohen, Lior; Kahn, Roy; Karbat, Izhar; Gordon, Dalia; Gurevitz, Michael

2006-07-25

Type I sea anemone toxins are highly potent modulators of voltage-gated Na-channels (Na(v)s) and compete with the structurally dissimilar scorpion alpha-toxins on binding to receptor site-3. Although these features provide two structurally different probes for studying receptor site-3 and channel fast inactivation, the bioactive surface of sea anemone toxins has not been fully resolved. We established an efficient expression system for Av2 (known as ATX II), a highly insecticidal sea anemone toxin from Anemonia viridis (previously named A. sulcata), and mutagenized it throughout. Each toxin mutant was analyzed in toxicity and binding assays as well as by circular dichroism spectroscopy to discern the effects derived from structural perturbation from those related to bioactivity. Six residues were found to constitute the anti-insect bioactive surface of Av2 (Val-2, Leu-5, Asn-16, Leu-18, and Ile-41). Further analysis of nine Av2 mutants on the human heart channel Na(v)1.5 expressed in Xenopus oocytes indicated that the bioactive surfaces toward insects and mammals practically coincide but differ from the bioactive surface of a structurally similar sea anemone toxin, Anthopleurin B, from Anthopleura xanthogrammica. Hence, our results not only demonstrate clear differences in the bioactive surfaces of Av2 and scorpion alpha-toxins but also indicate that despite the general conservation in structure and importance of the Arg-14 loop and its flanking residues Gly-10 and Gly-20 for function, the surface of interaction between different sea anemone toxins and Na(v)s varies.

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.

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

Osipiuk, J.; Gornicki, P.; Maj, L.

The structure of the YlxR protein of unknown function from Streptococcus pneumonia was determined to 1.35 Angstroms. YlxR is expressed from the nusA/infB operon in bacteria and belongs to a small protein family (COG2740) that shares a conserved sequence motif GRGA(Y/W). The family shows no significant amino-acid sequence similarity with other proteins. Three-wavelength diffraction MAD data were collected to 1.7 Angstroms from orthorhombic crystals using synchrotron radiation and the structure was determined using a semi-automated approach. The YlxR structure resembles a two-layer {alpha}/{beta} sandwich with the overall shape of a cylinder and shows no structural homology to proteins of knownmore » structure. Structural analysis revealed that the YlxR structure represents a new protein fold that belongs to the {alpha}-{beta} plait superfamily. The distribution of the electrostatic surface potential shows a large positively charged patch on one side of the protein, a feature often found in nucleic acid-binding proteins. Three sulfate ions bind to this positively charged surface. Analysis of potential binding sites uncovered several substantial clefts, with the largest spanning 3/4 of the protein. A similar distribution of binding sites and a large sharply bent cleft are observed in RNA-binding proteins that are unrelated in sequence and structure. It is proposed that YlxR is an RNA-binding protein.« less

Streptococcus pneumonia YlxR at 1.35 A shows a putative new fold.

PubMed

Osipiuk, J; Górnicki, P; Maj, L; Dementieva, I; Laskowski, R; Joachimiak, A

2001-11-01

The structure of the YlxR protein of unknown function from Streptococcus pneumonia was determined to 1.35 A. YlxR is expressed from the nusA/infB operon in bacteria and belongs to a small protein family (COG2740) that shares a conserved sequence motif GRGA(Y/W). The family shows no significant amino-acid sequence similarity with other proteins. Three-wavelength diffraction MAD data were collected to 1.7 A from orthorhombic crystals using synchrotron radiation and the structure was determined using a semi-automated approach. The YlxR structure resembles a two-layer alpha/beta sandwich with the overall shape of a cylinder and shows no structural homology to proteins of known structure. Structural analysis revealed that the YlxR structure represents a new protein fold that belongs to the alpha-beta plait superfamily. The distribution of the electrostatic surface potential shows a large positively charged patch on one side of the protein, a feature often found in nucleic acid-binding proteins. Three sulfate ions bind to this positively charged surface. Analysis of potential binding sites uncovered several substantial clefts, with the largest spanning 3/4 of the protein. A similar distribution of binding sites and a large sharply bent cleft are observed in RNA-binding proteins that are unrelated in sequence and structure. It is proposed that YlxR is an RNA-binding protein.

Biopolymer protected silver nanoparticles on the support of carbon nanotube as interface for electrocatalytic applications

NASA Astrophysics Data System (ADS)

Satyanarayana, M.; Kumar, V. Sunil; Gobi, K. Vengatajalabathy

2016-04-01

In this research, silver nanoparticles (SNPs) are prepared on the surface of carbon nanotubes via chitosan, a biopolymer linkage. Here chitosan act as stabilizing agent for nanoparticles and forms a network on the surface of carbon nanotubes. Synthesized silver nanoparticles-MWCNT hybrid composite is characterized by UV-Visible spectroscopy, XRD analysis, and FESEM with EDS to evaluate the structural and chemical properties of the nanocomposite. The electrocatalytic activity of the fabricated SNP-MWCNT hybrid modified glassy carbon electrode has been evaluated by cyclic voltammetry and electrochemical impedance analysis. The silver nanoparticles are of size ˜35 nm and are well distributed on the surface of carbon nanotubes with chitosan linkage. The prepared nanocomposite shows efficient electrocatalytic properties with high active surface area and excellent electron transfer behaviour.

MSSA de-noising of horizon time structure to improve the curvature attribute analysis

NASA Astrophysics Data System (ADS)

Tiwari, R. K.; Rekapalli, R.; Vedanti, N.

2017-12-01

Although the seismic attributes are useful for identifying sub-surface structural features like faults, fractures, lineaments and sharp stratigraphy etc., the different kinds of noises arising from unknown physical sources during the data acquisition and processing creates acute problems in physical interpretation of complex crustal structures. Hence, we propose to study effect of noise on curvature attribute analysis of seismic time structure data. We propose here Multichannel Singular Spectrum Analysis (MSSA) de-noising algorithm as a pre filtering scheme to reduce effect of noise. To demonstrate the procedure, first, we compute the most positive and negative curvature on a synthetic time structure with surface features resembling anticlines, synclines and faults and then adding the known percentage of noise. We noticed that the curvatures estimated from the noisy data reveal considerable deviations from the curvature of pure synthetic data. This suggests that there is a strong impact of noise on the curvature estimates. Further, we have employed 2D median filter and MSSA methods to filter the noisy time structure and then computed the curvatures. The comparisons of curvatures estimated from de-noised data suggest that the results obtained from MSSA de-noised data match well with the curvatures of pure synthetic data. Finally, we present an example of real data analysis from Utsira Top (UT) horizon of Southern Viking Graben, Norway to identify the time-lapse changes in UT horizon after CO2 injection. We applied the MSSA de-noising algorithm on UT horizon time structure and amplitude data of pre and post CO2 injection. Our analyses suggest modest but clearly visible, structural changes in the UT horizon after CO2 injection at a few locations, which seem to be associated with the locations of change in seismic amplitudes. Thus, the results from both the synthetic and real field data suggest that the MSSA based de-noising algorithm is robust for filtering the horizon time structures for accurate curvature attributes analysis and better interpretation of structural changes in geological features. Key Words: Curvature attributes, MSSA, Seismic Horizon, 2D-median filter, Utsira Horizon.

Integrated multidisciplinary design optimization using discrete sensitivity analysis for geometrically complex aeroelastic configurations

NASA Astrophysics Data System (ADS)

Newman, James Charles, III

1997-10-01

The first two steps in the development of an integrated multidisciplinary design optimization procedure capable of analyzing the nonlinear fluid flow about geometrically complex aeroelastic configurations have been accomplished in the present work. For the first step, a three-dimensional unstructured grid approach to aerodynamic shape sensitivity analysis and design optimization has been developed. The advantage of unstructured grids, when compared with a structured-grid approach, is their inherent ability to discretize irregularly shaped domains with greater efficiency and less effort. Hence, this approach is ideally suited for geometrically complex configurations of practical interest. In this work the time-dependent, nonlinear Euler equations are solved using an upwind, cell-centered, finite-volume scheme. The discrete, linearized systems which result from this scheme are solved iteratively by a preconditioned conjugate-gradient-like algorithm known as GMRES for the two-dimensional cases and a Gauss-Seidel algorithm for the three-dimensional; at steady-state, similar procedures are used to solve the accompanying linear aerodynamic sensitivity equations in incremental iterative form. As shown, this particular form of the sensitivity equation makes large-scale gradient-based aerodynamic optimization possible by taking advantage of memory efficient methods to construct exact Jacobian matrix-vector products. Various surface parameterization techniques have been employed in the current study to control the shape of the design surface. Once this surface has been deformed, the interior volume of the unstructured grid is adapted by considering the mesh as a system of interconnected tension springs. Grid sensitivities are obtained by differentiating the surface parameterization and the grid adaptation algorithms with ADIFOR, an advanced automatic-differentiation software tool. To demonstrate the ability of this procedure to analyze and design complex configurations of practical interest, the sensitivity analysis and shape optimization has been performed for several two- and three-dimensional cases. In twodimensions, an initially symmetric NACA-0012 airfoil and a high-lift multielement airfoil were examined. For the three-dimensional configurations, an initially rectangular wing with uniform NACA-0012 cross-sections was optimized; in addition, a complete Boeing 747-200 aircraft was studied. Furthermore, the current study also examines the effect of inconsistency in the order of spatial accuracy between the nonlinear fluid and linear shape sensitivity equations. The second step was to develop a computationally efficient, high-fidelity, integrated static aeroelastic analysis procedure. To accomplish this, a structural analysis code was coupled with the aforementioned unstructured grid aerodynamic analysis solver. The use of an unstructured grid scheme for the aerodynamic analysis enhances the interaction compatibility with the wing structure. The structural analysis utilizes finite elements to model the wing so that accurate structural deflections may be obtained. In the current work, parameters have been introduced to control the interaction of the computational fluid dynamics and structural analyses; these control parameters permit extremely efficient static aeroelastic computations. To demonstrate and evaluate this procedure, static aeroelastic analysis results for a flexible wing in low subsonic, high subsonic (subcritical), transonic (supercritical), and supersonic flow conditions are presented.

Accuracy analysis for triangulation and tracking based on time-multiplexed structured light.

PubMed

Wagner, Benjamin; Stüber, Patrick; Wissel, Tobias; Bruder, Ralf; Schweikard, Achim; Ernst, Floris

2014-08-01

The authors' research group is currently developing a new optical head tracking system for intracranial radiosurgery. This tracking system utilizes infrared laser light to measure features of the soft tissue on the patient's forehead. These features are intended to offer highly accurate registration with respect to the rigid skull structure by means of compensating for the soft tissue. In this context, the system also has to be able to quickly generate accurate reconstructions of the skin surface. For this purpose, the authors have developed a laser scanning device which uses time-multiplexed structured light to triangulate surface points. The accuracy of the authors' laser scanning device is analyzed and compared for different triangulation methods. These methods are given by the Linear-Eigen method and a nonlinear least squares method. Since Microsoft's Kinect camera represents an alternative for fast surface reconstruction, the authors' results are also compared to the triangulation accuracy of the Kinect device. Moreover, the authors' laser scanning device was used for tracking of a rigid object to determine how this process is influenced by the remaining triangulation errors. For this experiment, the scanning device was mounted to the end-effector of a robot to be able to calculate a ground truth for the tracking. The analysis of the triangulation accuracy of the authors' laser scanning device revealed a root mean square (RMS) error of 0.16 mm. In comparison, the analysis of the triangulation accuracy of the Kinect device revealed a RMS error of 0.89 mm. It turned out that the remaining triangulation errors only cause small inaccuracies for the tracking of a rigid object. Here, the tracking accuracy was given by a RMS translational error of 0.33 mm and a RMS rotational error of 0.12°. This paper shows that time-multiplexed structured light can be used to generate highly accurate reconstructions of surfaces. Furthermore, the reconstructed point sets can be used for high-accuracy tracking of objects, meeting the strict requirements of intracranial radiosurgery.

Selective laser melting of titanium alloy enables osseointegration of porous multi-rooted implants in a rabbit model.

PubMed

Peng, Wei; Xu, Liangwei; You, Jia; Fang, Lihua; Zhang, Qing

2016-07-21

Osseointegration refers to the direct connection between living bone and the surface of a load-bearing artificial implant. Porous implants with well-controlled porosity and pore size can enhance osseointegration. However, until recently implants were produced by machining solid core titanium rods. The aim of this study was to develop a multi-rooted dental implant (MRI) with a connected porous surface structure to facilitate osseointegration. MRIs manufactured by selective laser melting (SLM) and commercial implants with resorbable blasting media (RBM)-treated surfaces were inserted into the hind limbs of New Zealand white rabbits. Osseointegration was evaluated periodically over 12 weeks by micro-computerized tomography (CT) scanning, histological analysis, mechanical push-out tests, and torque tests. Bone volume densities were consistently higher in the MRI group than in the RBM group throughout the study period, ultimately resulting in a peak value of 48.41 % for the MRI group. Histological analysis revealed denser surrounding bone growth in the MRIs; after 4 and 8 weeks, bone tissue had grown into the pore structures and root bifurcation areas, respectively. Biomechanics tests indicated binding of the porous MRIs to the neobone tissues, as push-out forces strengthened from 294.7 to 446.5 N and maximum mean torque forces improved from 81.15 to 289.57 N (MRI), versus 34.79 to 87.8 N in the RBM group. MRIs manufactured by SLM possess a connected porous surface structure that improves the osteogenic characteristics of the implant surface.

Photoluminescence and capacitance voltage characterization of GaAs surface passivated by an ultrathin GaN interface control layer

NASA Astrophysics Data System (ADS)

Anantathanasarn, Sanguan; Hasegawa, Hideki

2002-05-01

A novel surface passivation technique for GaAs using an ultrathin GaN interface control layer (GaN ICL) formed by surface nitridation was characterized by ultrahigh vacuum (UHV) photoluminescence (PL) and capacitance-voltage ( C- V) measurements. The PL quantum efficiency was dramatically enhanced after being passivated by the GaN ICL structure, reaching as high as 30 times of the initial clean GaAs surface. Further analysis of PL data was done by the PL surface state spectroscopy (PLS 3) simulation technique. PL and C- V results are in good agreement indicating that ultrathin GaN ICL reduces the gap states and unpins the Fermi level, realizing a wide movement of Fermi level within the midgap region and reduction of the effective surface recombination velocity by a factor of 1/60. GaN layer also introduced a large negative surface fixed charge of about 10 12 cm -2. A further improvement took place by depositing a Si 3N 4 layer on GaN ICL/GaAs structure.

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.

Thermal Analysis of a Finite Element Model in a Radiation Dominated Environment

NASA Technical Reports Server (NTRS)

Page, Arthur T.

2001-01-01

This paper presents a brief overview of thermal analysis, evaluating the University of Arizona mirror design, for the Next Generation Space Telescope (NGST) Pre-Phase A vehicle concept. Model building begins using Thermal Desktop(TM), by Cullimore and Ring Technologies, to import a NASTRAN bulk data file from the structural model of the mirror assembly. Using AutoCAD(R) capabilities, additional surfaces are added to simulate the thermal aspects of the problem which, for due reason, are not part of the structural model. Surfaces are then available to accept thermophysical and thermo-optical properties. Thermal Desktop(TM) calculates radiation conductors using Monte Carlo simulations. Then Thermal Desktop(TM) generates the SINDA input file having a one-to-one correspondence with the NASTRAN node and element definitions. A model is now available to evaluate the mirror design in the radiation dominated environment, conduct parametric trade studies of the thermal design, and provide temperatures to the finite element structural model.

Thermal Analysis of a Finite Element Model in a Radiation Dominated Environment

NASA Technical Reports Server (NTRS)

Page, Arhur T.

1999-01-01

This paper presents a brief overview of thermal analysis, evaluating the University of Arizona mirror design, for the Next Generation Space Telescope (NGST) Pre-Phase A vehicle concept. Model building begins using Thermal Desktop(Tm), by Cullimore and Ring Technologies, to import a NASTRAN bulk data file from the structural model of the mirror assembly. Using AutoCAD(R) capabilities, additional surfaces are added to simulate the thermal aspects of the problem which, for due reason, are not part of the structural model. Surfaces are then available to accept thermophysical and thermo-optical properties. Thermal Desktop(Tm) calculates radiation conductors using Monte Carlo simulations. Then Thermal Desktop(Tm) generates the SINDA/Fluint input file having a one-to-one correspondence with the NASTRAN node and element definitions. A model is now available to evaluate the mirror design in the radiation dominated environment conduct parametric trade studies of the thermal design, and provide temperatures to the finite element structural model.

Structural features of dilute acid, steam exploded, and alkali pretreated mustard stalk and their impact on enzymatic hydrolysis.

PubMed

Kapoor, Manali; Raj, Tirath; Vijayaraj, M; Chopra, Anju; Gupta, Ravi P; Tuli, Deepak K; Kumar, Ravindra

2015-06-25

To overcome the recalcitrant nature of biomass several pretreatment methodologies have been explored to make it amenable to enzymatic hydrolysis. These methodologies alter cell wall structure primarily by removing/altering hemicelluloses and lignin. In this work, alkali, dilute acid, steam explosion pretreatment are systematically studied for mustard stalk. To assess the structural variability after pretreatment, chemical analysis, surface area, crystallinity index, accessibility of cellulose, FT-IR and thermal analysis are conducted. Although the extent of enzymatic hydrolysis varies upon the methodologies used, nevertheless, cellulose conversion increases from <10% to 81% after pretreatment. Glucose yield at 2 and 72h are well correlated with surface area and maximum adsorption capacity. However, no such relationship is observed for xylose yield. Mass balance of the process is also studied. Dilute acid pretreatment is the best methodology in terms of maximum sugar yield at lower enzyme loading. Copyright © 2015 Elsevier Ltd. All rights reserved.