Challenges and opportunities of modeling plasma–surface interactions in tungsten using high-performance computing

International Nuclear Information System (INIS)

Wirth, Brian D.; Hammond, K.D.; Krasheninnikov, S.I.; Maroudas, D.

2015-01-01

The performance of plasma facing components (PFCs) is critical for ITER and future magnetic fusion reactors. The ITER divertor will be tungsten, which is the primary candidate material for future reactors. Recent experiments involving tungsten exposure to low-energy helium plasmas reveal significant surface modification, including the growth of nanometer-scale tendrils of “fuzz” and formation of nanometer-sized bubbles in the near-surface region. The large span of spatial and temporal scales governing plasma surface interactions are among the challenges to modeling divertor performance. Fortunately, recent innovations in computational modeling, increasingly powerful high-performance computers, and improved experimental characterization tools provide a path toward self-consistent, experimentally validated models of PFC and divertor performance. Recent advances in understanding tungsten–helium interactions are reviewed, including such processes as helium clustering, which serve as nuclei for gas bubbles; and trap mutation, dislocation loop punching and bubble bursting; which together initiate surface morphological modification

Characterizations and computational complexity of systolic trellis automata

Energy Technology Data Exchange (ETDEWEB)

Ibarra, O H; Kim, S M

1984-03-01

Systolic trellis automata are simple models for VLSI. The authors characterize the computing power of these models in terms of turing machines. The characterizations are useful in proving new results as well as giving simpler proofs of known results. They also derive lower and upper bounds on the computational complexity of the models. 18 references.

Recent characterization of steel by surface analysis methods

International Nuclear Information System (INIS)

Suzuki, Shigeru

1996-01-01

Surface analysis methods, such as Auger electron spectroscopy, X-ray photoelectron spectroscopy, secondary ion mass spectrometry, glow discharge optical emission spectrometry and so on, have become indispensable to characterize surface and interface of many kinds of steel. Although a number of studies on characterization of steel by these methods have been carried out, several problems still remain in quantification and depth profiling. Nevertheless, the methods have provided essential information on the concentration and chemical state of elements at the surface and interface. Recent results on characterization of oxide layers, coated films, etc. on the surface of steel are reviewed here. (author). 99 refs

Topographic characterization of nanostructures on curved polymer surfaces

DEFF Research Database (Denmark)

Feidenhans'l, Nikolaj Agentoft; Petersen, Jan C.; Taboryski, Rafael J.

2014-01-01

The availability of portable instrumentation for characterizing surface topography on the micro- and nanometer scale is very limited. Particular the handling of curved surfaces, both concave and convex, is complicated or not possible on current instrumentation. However, the currently growing use...... method with a portable instrument that can be used in a production environment, and topographically characterize nanometer-scale surface structures on both flat and curved surfaces. To facilitate the commercialization of injection moulded polymer parts featuring nanostructures, it is pivotal...... of injection moulding of polymer parts featuring nanostructured surfaces, requires an instrument that can characterize these structures to ensure replication-confidence between master structure and replicated polymer parts. This project concerns the development of a metrological traceable quality control...

Surface Characterization of a Paper Web at the Wet End

International Nuclear Information System (INIS)

Abidi, B.R.; Goddard, J.S.; Sari-Sarraf, H.

1999-01-01

We present an algorithm for the detection and representation of structures and non-uniformities on the surface of a paper web at the wet end (slurry). This image processing/analysis algorithm is developed as part of a complete on-line web characterization system. Images of the slurry, carried by a fast moving table, are obtained using a stroboscopic light and a CCD camera. The images have very poor contrast and contain noise from a variety of sources. Those sources include the acquisition system itself, the lighting, the vibrations of the moving table being imaged, and the scattering water from the same table's movement. After many steps of enhancement, conventional edge detection methods were still inconclusive and were discarded. The facet model algorithm, is applied to the images and is found successful in detecting the various topographic characteristics of the surface of the slurry. Pertinent topographic elements are retained and a filtered image is computed based on the general appearance and characteristics of the structures in question. Morphological operators are applied to detect and segment regions of interest. Those regions are then filtered according to their size, elongation, and orientation.Their bounding rectangles are computed and superimposed on the original image. Real time implementation of this algorithm for on-line use is also addressed in this paper. The algorithm is tested on over 500 images of slurry and is found to detect nonuniformities on all 500 images. Locating and characterizing all different size structures is also achieved on all 500 images of the web

NMR characterization of hydrocarbon adsorption on calcite surfaces: A first principles study

Energy Technology Data Exchange (ETDEWEB)

Bevilaqua, Rochele C. A.; Miranda, Caetano R. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, UFABC, Santo André, SP (Brazil); Rigo, Vagner A. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, UFABC, Santo André, SP (Brazil); Universidade Tecnológica Federal do Paraná, UTFPR, Cornélio Procópio, PR (Brazil); Veríssimo-Alves, Marcos [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, UFABC, Santo André, SP (Brazil); Departamento de Física, ICEx, Universidade Federal Fluminense, UFF, Volta Redonda, RJ (Brazil)

2014-11-28

The electronic and coordination environment of minerals surfaces, as calcite, are very difficult to characterize experimentally. This is mainly due to the fact that there are relatively few spectroscopic techniques able to detect Ca{sup 2+}. Since calcite is a major constituent of sedimentary rocks in oil reservoir, a more detailed characterization of the interaction between hydrocarbon molecules and mineral surfaces is highly desirable. Here we perform a first principles study on the adsorption of hydrocarbon molecules on calcite surface (CaCO{sub 3} (101{sup ¯}4)). The simulations were based on Density Functional Theory with Solid State Nuclear Magnetic Resonance (SS-NMR) calculations. The Gauge-Including Projector Augmented Wave method was used to compute mainly SS-NMR parameters for {sup 43}Ca, {sup 13}C, and {sup 17}O in calcite surface. It was possible to assign the peaks in the theoretical NMR spectra for all structures studied. Besides showing different chemical shifts for atoms located on different environments (bulk and surface) for calcite, the results also display changes on the chemical shift, mainly for Ca sites, when the hydrocarbon molecules are present. Even though the interaction of the benzene molecule with the calcite surface is weak, there is a clearly distinguishable displacement of the signal of the Ca sites over which the hydrocarbon molecule is located. A similar effect is also observed for hexane adsorption. Through NMR spectroscopy, we show that aromatic and alkane hydrocarbon molecules adsorbed on carbonate surfaces can be differentiated.

Computational efficiency for the surface renewal method

Science.gov (United States)

Kelley, Jason; Higgins, Chad

2018-04-01

Measuring surface fluxes using the surface renewal (SR) method requires programmatic algorithms for tabulation, algebraic calculation, and data quality control. A number of different methods have been published describing automated calibration of SR parameters. Because the SR method utilizes high-frequency (10 Hz+) measurements, some steps in the flux calculation are computationally expensive, especially when automating SR to perform many iterations of these calculations. Several new algorithms were written that perform the required calculations more efficiently and rapidly, and that tested for sensitivity to length of flux averaging period, ability to measure over a large range of lag timescales, and overall computational efficiency. These algorithms utilize signal processing techniques and algebraic simplifications that demonstrate simple modifications that dramatically improve computational efficiency. The results here complement efforts by other authors to standardize a robust and accurate computational SR method. Increased speed of computation time grants flexibility to implementing the SR method, opening new avenues for SR to be used in research, for applied monitoring, and in novel field deployments.

Computed potential energy surfaces for chemical reactions

Science.gov (United States)

Walch, Stephen P.

1988-01-01

The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

Computational method for free surface hydrodynamics

International Nuclear Information System (INIS)

Hirt, C.W.; Nichols, B.D.

1980-01-01

There are numerous flow phenomena in pressure vessel and piping systems that involve the dynamics of free fluid surfaces. For example, fluid interfaces must be considered during the draining or filling of tanks, in the formation and collapse of vapor bubbles, and in seismically shaken vessels that are partially filled. To aid in the analysis of these types of flow phenomena, a new technique has been developed for the computation of complicated free-surface motions. This technique is based on the concept of a local average volume of fluid (VOF) and is embodied in a computer program for two-dimensional, transient fluid flow called SOLA-VOF. The basic approach used in the VOF technique is briefly described, and compared to other free-surface methods. Specific capabilities of the SOLA-VOF program are illustrated by generic examples of bubble growth and collapse, flows of immiscible fluid mixtures, and the confinement of spilled liquids

Holonomic surface codes for fault-tolerant quantum computation

Science.gov (United States)

Zhang, Jiang; Devitt, Simon J.; You, J. Q.; Nori, Franco

2018-02-01

Surface codes can protect quantum information stored in qubits from local errors as long as the per-operation error rate is below a certain threshold. Here we propose holonomic surface codes by harnessing the quantum holonomy of the system. In our scheme, the holonomic gates are built via auxiliary qubits rather than the auxiliary levels in multilevel systems used in conventional holonomic quantum computation. The key advantage of our approach is that the auxiliary qubits are in their ground state before and after each gate operation, so they are not involved in the operation cycles of surface codes. This provides an advantageous way to implement surface codes for fault-tolerant quantum computation.

Computational reduction of specimen noise to enable improved thermography characterization of flaws in graphite polymer composites

Science.gov (United States)

Winfree, William P.; Howell, Patricia A.; Zalameda, Joseph N.

2014-05-01

Flaw detection and characterization with thermographic techniques in graphite polymer composites are often limited by localized variations in the thermographic response. Variations in properties such as acceptable porosity, fiber volume content and surface polymer thickness result in variations in the thermal response that in general cause significant variations in the initial thermal response. These result in a "noise" floor that increases the difficulty of detecting and characterizing deeper flaws. A method is presented for computationally removing a significant amount of the "noise" from near surface porosity by diffusing the early time response, then subtracting it from subsequent responses. Simulations of the thermal response of a composite are utilized in defining the limitations of the technique. This method for reducing the data is shown to give considerable improvement characterizing both the size and depth of damage. Examples are shown for data acquired on specimens with fabricated delaminations and impact damage.

Computational Reduction of Specimen Noise to Enable Improved Thermography Characterization of Flaws in Graphite Polymer Composites

Science.gov (United States)

Winfree, William P.; Howell, Patricia A.; Zalameda, Joseph N.

2014-01-01

Flaw detection and characterization with thermographic techniques in graphite polymer composites are often limited by localized variations in the thermographic response. Variations in properties such as acceptable porosity, fiber volume content and surface polymer thickness result in variations in the thermal response that in general cause significant variations in the initial thermal response. These result in a "noise" floor that increases the difficulty of detecting and characterizing deeper flaws. A method is presented for computationally removing a significant amount of the "noise" from near surface porosity by diffusing the early time response, then subtracting it from subsequent responses. Simulations of the thermal response of a composite are utilized in defining the limitations of the technique. This method for reducing the data is shown to give considerable improvement characterizing both the size and depth of damage. Examples are shown for data acquired on specimens with fabricated delaminations and impact damage.

Characterization of a surface dielectric barrier discharge

NARCIS (Netherlands)

Pemen, A.J.M.; Beckers, F.J.C.M.; Heesch, van E.J.M.

2009-01-01

A surface dielectric barrier discharge (SDBD) reactor provides a homogeneous plasma over a large surface area. This allows surface treatments of foils, textiles or fibers. Here we present results of a study to characterize the AC and pulsed performance of SDBD with regard to ozone production,

Computational approach to Riemann surfaces

CERN Document Server

Klein, Christian

2011-01-01

This volume offers a well-structured overview of existent computational approaches to Riemann surfaces and those currently in development. The authors of the contributions represent the groups providing publically available numerical codes in this field. Thus this volume illustrates which software tools are available and how they can be used in practice. In addition examples for solutions to partial differential equations and in surface theory are presented. The intended audience of this book is twofold. It can be used as a textbook for a graduate course in numerics of Riemann surfaces, in which case the standard undergraduate background, i.e., calculus and linear algebra, is required. In particular, no knowledge of the theory of Riemann surfaces is expected; the necessary background in this theory is contained in the Introduction chapter. At the same time, this book is also intended for specialists in geometry and mathematical physics applying the theory of Riemann surfaces in their research. It is the first...

Accurate measurement of surface areas of anatomical structures by computer-assisted triangulation of computed tomography images

Energy Technology Data Exchange (ETDEWEB)

Allardice, J.T.; Jacomb-Hood, J.; Abulafi, A.M.; Williams, N.S. (Royal London Hospital (United Kingdom)); Cookson, J.; Dykes, E.; Holman, J. (London Hospital Medical College (United Kingdom))

1993-05-01

There is a need for accurate surface area measurement of internal anatomical structures in order to define light dosimetry in adjunctive intraoperative photodynamic therapy (AIOPDT). The authors investigated whether computer-assisted triangulation of serial sections generated by computed tomography (CT) scanning can give an accurate assessment of the surface area of the walls of the true pelvis after anterior resection and before colorectal anastomosis. They show that the technique of paper density tessellation is an acceptable method of measuring the surface areas of phantom objects, with a maximum error of 0.5%, and is used as the gold standard. Computer-assisted triangulation of CT images of standard geometric objects and accurately-constructed pelvic phantoms gives a surface area assessment with a maximum error of 2.5% compared with the gold standard. The CT images of 20 patients' pelves have been analysed by computer-assisted triangulation and this shows the surface area of the walls varies from 143 cm[sup 2] to 392 cm[sup 2]. (Author).

uleSIMS characterization of silver reference surfaces

Science.gov (United States)

Palitsin, V. V.; Dowsett, M. G.; Mata, B. Guzmán de la; Oloff, I. W.; Gibbons, R.

2006-07-01

Ultra low energy SIMS (uleSIMS) is a high sensitivity analytical technique that is normally used for ultra shallow profiling at a depth resolution of up to1 nm. This work describes the use of uleSIMS as both a spectroscopic and depth-profiling tool for the characterization of the early stages of corrosion formed on reference surfaces of silver. These samples are being developed to help with the characterization of tarnished surfaces in a cultural heritage context, and uleSIMS enables the tarnishing to be studied from its very earliest stages due to its high sensitivity (ppm-ppb) and surface specificity. We show that, uleSIMS can be used effectively to study the surface chemistry and aid the development of reference surfaces themselves. In particular, handling contaminants, surface dust, and residues from polishing are relatively easy to identify allowing them to be separated from the parts of the mass spectrum specific to the early stages of corrosion.

Functional requirements for gas characterization system computer software

International Nuclear Information System (INIS)

Tate, D.D.

1996-01-01

This document provides the Functional Requirements for the Computer Software operating the Gas Characterization System (GCS), which monitors the combustible gasses in the vapor space of selected tanks. Necessary computer functions are defined to support design, testing, operation, and change control. The GCS requires several individual computers to address the control and data acquisition functions of instruments and sensors. These computers are networked for communication, and must multi-task to accommodate operation in parallel

Integrated biomechanical and topographical surface characterization (IBTSC)

Energy Technology Data Exchange (ETDEWEB)

Löberg, Johanna, E-mail: Johanna.Loberg@dentsply.com [Dentsply Implants, Box 14, SE-431 21 Mölndal (Sweden); Mattisson, Ingela [Dentsply Implants, Box 14, SE-431 21 Mölndal (Sweden); Ahlberg, Elisabet [Department of Chemistry and Molecular Biology, University of Gothenburg, SE-41296 Gothenburg (Sweden)

2014-01-30

In an attempt to reduce the need for animal studies in dental implant applications, a new model has been developed which combines well-known surface characterization methods with theoretical biomechanical calculations. The model has been named integrated biomechanical and topographical surface characterization (IBTSC), and gives a comprehensive description of the surface topography and the ability of the surface to induce retention strength with bone. IBTSC comprises determination of 3D-surface roughness parameters by using 3D-scanning electron microscopy (3D-SEM) and atomic force microscopy (AFM), and calculation of the ability of different surface topographies to induce retention strength in bone by using the local model. Inherent in this integrated approach is the use of a length scale analysis, which makes it possible to separate different size levels of surface features. The IBTSC concept is tested on surfaces with different level of hierarchy, induced by mechanical as well as chemical treatment. Sequential treatment with oxalic and hydrofluoric acid results in precipitated nano-sized features that increase the surface roughness and the surface slope on the sub-micro and nano levels. This surface shows the highest calculated shear strength using the local model. The validity, robustness and applicability of the IBTSC concept are demonstrated and discussed.

Characterization and analysis of surface notches on Ti-alloy plates fabricated by additive manufacturing techniques

Science.gov (United States)

Chan, Kwai S.

2015-12-01

Rectangular plates of Ti-6Al-4V with extra low interstitial (ELI) were fabricated by layer-by-layer deposition techniques that included electron beam melting (EBM) and laser beam melting (LBM). The surface conditions of these plates were characterized using x-ray micro-computed tomography. The depth and radius of surface notch-like features on the LBM and EBM plates were measured from sectional images of individual virtual slices of the rectangular plates. The stress concentration factors of individual surface notches were computed and analyzed statistically to determine the appropriate distributions for the notch depth, notch radius, and stress concentration factor. These results were correlated with the fatigue life of the Ti-6Al-4V ELI alloys from an earlier investigation. A surface notch analysis was performed to assess the debit in the fatigue strength due to the surface notches. The assessment revealed that the fatigue lives of the additively manufactured plates with rough surface topographies and notch-like features are dominated by the fatigue crack growth of large cracks for both the LBM and EBM materials. The fatigue strength reduction due to the surface notches can be as large as 60%-75%. It is concluded that for better fatigue performance, the surface notches on EBM and LBM materials need to be removed by machining and the surface roughness be improved to a surface finish of about 1 μm.

Characterization and analysis of surface notches on Ti-alloy plates fabricated by additive manufacturing techniques

International Nuclear Information System (INIS)

Chan, Kwai S.

2015-01-01

Rectangular plates of Ti–6Al–4V with extra low interstitial (ELI) were fabricated by layer-by-layer deposition techniques that included electron beam melting (EBM) and laser beam melting (LBM). The surface conditions of these plates were characterized using x-ray micro-computed tomography. The depth and radius of surface notch-like features on the LBM and EBM plates were measured from sectional images of individual virtual slices of the rectangular plates. The stress concentration factors of individual surface notches were computed and analyzed statistically to determine the appropriate distributions for the notch depth, notch radius, and stress concentration factor. These results were correlated with the fatigue life of the Ti–6Al–4V ELI alloys from an earlier investigation. A surface notch analysis was performed to assess the debit in the fatigue strength due to the surface notches. The assessment revealed that the fatigue lives of the additively manufactured plates with rough surface topographies and notch-like features are dominated by the fatigue crack growth of large cracks for both the LBM and EBM materials. The fatigue strength reduction due to the surface notches can be as large as 60%–75%. It is concluded that for better fatigue performance, the surface notches on EBM and LBM materials need to be removed by machining and the surface roughness be improved to a surface finish of about 1 μm. (paper)

MLSOIL and DFSOIL - computer codes to estimate effective ground surface concentrations for dose computations

International Nuclear Information System (INIS)

Sjoreen, A.L.; Kocher, D.C.; Killough, G.G.; Miller, C.W.

1984-11-01

This report is a user's manual for MLSOIL (Multiple Layer SOIL model) and DFSOIL (Dose Factors for MLSOIL) and a documentation of the computational methods used in those two computer codes. MLSOIL calculates an effective ground surface concentration to be used in computations of external doses. This effective ground surface concentration is equal to (the computed dose in air from the concentration in the soil layers)/(the dose factor for computing dose in air from a plane). MLSOIL implements a five compartment linear-transfer model to calculate the concentrations of radionuclides in the soil following deposition on the ground surface from the atmosphere. The model considers leaching through the soil as well as radioactive decay and buildup. The element-specific transfer coefficients used in this model are a function of the k/sub d/ and environmental parameters. DFSOIL calculates the dose in air per unit concentration at 1 m above the ground from each of the five soil layers used in MLSOIL and the dose per unit concentration from an infinite plane source. MLSOIL and DFSOIL have been written to be part of the Computerized Radiological Risk Investigation System (CRRIS) which is designed for assessments of the health effects of airborne releases of radionuclides. 31 references, 3 figures, 4 tables

Constant Width Planar Computation Characterizes ACC0

DEFF Research Database (Denmark)

Hansen, Kristoffer Arnsfelt

2006-01-01

We obtain a characterization of ACC0 in terms of a natural class of constant width circuits, namely in terms of constant width polynomial size planar circuits. This is shown via a characterization of the class of acyclic digraphs which can be embedded on a cylinder surface in such a way that all...

Computer aided surface representation. Progress report, June 1, 1989--May 31, 1990

Energy Technology Data Exchange (ETDEWEB)

Barnhill, R.E.

1990-02-19

The central research problem of this project is the effective representation, computation, and display of surfaces interpolating to information in three or more dimensions. If the given information is located on another surface, then the problem is to construct a ``surface defined on a surface``. Sometimes properties of an already defined surface are desired, which is ``geometry processing``. Visualization of multivariate surfaces is possible by means of contouring higher dimensional surfaces. These problems and more are discussed below. The broad sweep from constructive mathematics through computational algorithms to computer graphics illustrations is utilized in this research. The breadth and depth of this research activity makes this research project unique.

Multiresolution Computation of Conformal Structures of Surfaces

Directory of Open Access Journals (Sweden)

Xianfeng Gu

2003-10-01

Full Text Available An efficient multiresolution method to compute global conformal structures of nonzero genus triangle meshes is introduced. The homology, cohomology groups of meshes are computed explicitly, then a basis of harmonic one forms and a basis of holomorphic one forms are constructed. A progressive mesh is generated to represent the original surface at different resolutions. The conformal structure is computed for the coarse level first, then used as the estimation for that of the finer level, by using conjugate gradient method it can be refined to the conformal structure of the finer level.

Use of computational modeling in preparation and evaluation of surface imprinted xerogels for binding tetracycline

International Nuclear Information System (INIS)

Pace, Samantha J.; Nguyen, Eric; Baria, Maximillian P.; Mojica, Elmer-Rico E.

2015-01-01

Linear alkyl alkoxysilanes (methoxy and ethoxy-based) of varying length were used in preparing tetracycline surface imprinted silica xerogels by the sol–gel process. The resulting xerogels were characterized in terms of binding tetracycline (TC) by using tritium-labeled TC. Results showed preferential binding in the ethoxysilane based xerogels in comparison to methoxysilane based xerogels. A computational approach using the interaction energy (IE) between TC and each alkyl alkoxysilane was deduced as a rational way of predicting the formulation that would provide the best analytical performance for a given molecularly imprinted xerogel (MIX). Hartree-Fock calculations revealed an increase in IE as the length of the carbon chain increases until an optimum value at C6 in both alkoxysilanes. This is consistent with the experimental results wherein the C6 xerogel formulation has the highest imprinting factor. These results show the potential of using computational modeling as a rational way of preparing surface imprinted materials. (author)

Scattered surface charge density: A tool for surface characterization

KAUST Repository

Naydenov, Borislav

2011-11-28

We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

Scattered surface charge density: A tool for surface characterization

KAUST Repository

Naydenov, Borislav; Mantega, Mauro; Rungger, Ivan; Sanvito, Stefano; Boland, John J.

2011-01-01

We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

Characterization and reactivity of sodium aluminoborosilicate glass fiber surfaces

Energy Technology Data Exchange (ETDEWEB)

Ortiz Rivera, Lymaris, E-mail: luo105@psu.edu [Materials Research Institute, Pennsylvania State University, University Park, PA 16802 (United States); Bakaev, Victor A.; Banerjee, Joy [Materials Research Institute, Pennsylvania State University, University Park, PA 16802 (United States); Mueller, Karl T. [Department of Chemistry, Pennsylvania State University, University Park, PA 16802 (United States); Pantano, Carlo G. [Materials Research Institute, Pennsylvania State University, University Park, PA 16802 (United States); Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)

2016-05-01

Highlights: • XPS revealed that these fiber surfaces contain sodium carbonate weathering products. • IGC–MS data confirms the products of acetic acid reaction with sodium carbonate. • NMR data shows two closely spaced, but distinct sodium carboxylate peaks. • Acetic acid reacts with both sodium in the glass and sodium in the sodium carbonate. - Abstract: Multicomponent complex oxides, such as sodium aluminoborosilicate glass fibers, are important materials used for thermal insulation in buildings and homes. Although the surface properties of single oxides, such as silica, have been extensively studied, less is known about the distribution of reactive sites at the surface of multicomponent oxides. Here, we investigated the reactivity of sodium aluminoborosilicate glass fiber surfaces for better understanding of their interface chemistry and bonding with acrylic polymers. Acetic acid (with and without a {sup 13}C enrichment) was used as a probe representative of the carboxylic functional groups in many acrylic polymers and adhesives. Inverse gas chromatography coupled to a mass spectrometer (IGC–MS), and solid state nuclear magnetic resonance (NMR), were used to characterize the fiber surface reactions and surface chemical structure. In this way, we discovered that both sodium ions in the glass surface, as well as sodium carbonate salts that formed on the surface due to the intrinsic reactivity of this glass in humid air, are primary sites of interaction with the carboxylic acid. Surface analysis by X-ray photoelectron spectroscopy (XPS) confirmed the presence of sodium carbonates on these surfaces. Computer simulations of the interactions between the reactive sites on the glass fiber surface with acetic acid were performed to evaluate energetically favorable reactions. The adsorption reactions with sodium in the glass structure provide adhesive bonding sites, whereas the reaction with the sodium carbonate consumes the acid to form sodium-carboxylate, H

Bulk and surface characterization of novel photoresponsive polymeric systems

Science.gov (United States)

Venkataramani, Shivshankar

This dissertation presents a detailed characterization of two important classes of photoresponsive polymers-polydiacetylenes (PDAs) and azopolymers. Bulk and surface characterization techniques were used to evaluate the structure-property relationships of the PDAs and surface characterization, in particular-atomic force microscopy (AFM) was used to characterize the azopolymers. PDAs from bis-alkylurethanes of 5,7 dodecadiyn 1,12-diol (viz.,) ETCD, IPUDO and PUDO are of particular interest in view of reports of reversible thermochromic and photochromic phase transitions in these materials. Thermochromism in the above PDAs is associated with a first order phase transition involving expansion of the crystallographic unit cell, the preservation of the urethane hydrogen bonding and possibly some relief of mechanical strain upon heating. Insights into thermochromism obtained from studies of nonthermochromic forms of PDA-ETCD are discussed. Some of the bulk characterization experiments reported In the literature are repeated. The motivation to investigate the surface morphology of the PDA single crystals using AFM was derived from Raman spectroscopy studies of various PDAs in which dispersion of the Raman spectrum indicating surface heterogeneity was observed. Micron scale as well as molecularly resolved images were obtained The micron scale images indicated a variable surface of the crystals. The molecularly resolved images showed a well defined 2-D lattice and are interpreted in terms of known crystallographic data. The surface parameters obtained from AFM measurements are similar to those determined from X-ray diffraction. During an attempt of AFM imaging of IPUDO crystals exposed to 254 nm ultraviolet light, it was observed that these crystals undergo a "macroscopic shattering". In the interest of rigorously defining conditions for photochromism, this research has undertaken a combined study of the surface morphology of the above mentioned PDA crystals by AFM and the

Computation of Surface Integrals of Curl Vector Fields

Science.gov (United States)

Hu, Chenglie

2007-01-01

This article presents a way of computing a surface integral when the vector field of the integrand is a curl field. Presented in some advanced calculus textbooks such as [1], the technique, as the author experienced, is simple and applicable. The computation is based on Stokes' theorem in 3-space calculus, and thus provides not only a means to…

Surface modification and characterization Collaborative Research Center at ORNL

International Nuclear Information System (INIS)

1986-01-01

The Surface Modification and Characterization Collaborative Research Center (SMAC/CRC) is a unique facility for the alteration and characterization of the near-surface properties of materials. The SMAC/CRC facility is equipped with particle accelerators and high-powered lasers which can be used to improve the physical, electrical, and/or chemical properties of solids and to create unique new materials not possible to obtain with conventional ''equilibrium'' processing techniques. Surface modification is achieved using such techniques as ion implantation doping, ion beam mixing, laser mixing, ion deposition, and laser annealing

Characterization of Pectin Nanocoatings at Polystyrene and Titanium Surfaces

DEFF Research Database (Denmark)

Gurzawska, Katarzyna; Dirscherl, Kai; Yihua, Yu

2013-01-01

. To characterize, compare and visualize the surface nanocoatings measurements of contact angle measurements and surface roughness with atomic force microscopy, scanning electron microscopy, and confocal microscopy was performed. We found that, both unmodified and enzymatic modified RG-Is influenced surface...

Characterisation of surface roughness for ultra-precision freeform surfaces

International Nuclear Information System (INIS)

Li Huifen; Cheung, C F; Lee, W B; To, S; Jiang, X Q

2005-01-01

Ultra-precision freeform surfaces are widely used in many advanced optics applications which demand for having surface roughness down to nanometer range. Although a lot of research work has been reported on the study of surface generation, reconstruction and surface characterization such as MOTIF and fractal analysis, most of them are focused on axial symmetric surfaces such as aspheric surfaces. Relative little research work has been found in the characterization of surface roughness in ultra-precision freeform surfaces. In this paper, a novel Robust Gaussian Filtering (RGF) method is proposed for the characterisation of surface roughness for ultra-precision freeform surfaces with known mathematic model or a cloud of discrete points. A series of computer simulation and measurement experiments were conducted to verify the capability of the proposed method. The experimental results were found to agree well with the theoretical results

General surface reconstruction for cone-beam multislice spiral computed tomography

International Nuclear Information System (INIS)

Chen Laigao; Liang Yun; Heuscher, Dominic J.

2003-01-01

A new family of cone-beam reconstruction algorithm, the General Surface Reconstruction (GSR), is proposed and formulated in this paper for multislice spiral computed tomography (CT) reconstructions. It provides a general framework to allow the reconstruction of planar or nonplanar surfaces on a set of rebinned short-scan parallel beam projection data. An iterative surface formation method is proposed as an example to show the possibility to form nonplanar reconstruction surfaces to minimize the adverse effect between the collected cone-beam projection data and the reconstruction surfaces. The improvement in accuracy of the nonplanar surfaces over planar surfaces in the two-dimensional approximate cone-beam reconstructions is mathematically proved and demonstrated using numerical simulations. The proposed GSR algorithm is evaluated by the computer simulation of cone-beam spiral scanning geometry and various mathematical phantoms. The results demonstrate that the GSR algorithm generates much better image quality compared to conventional multislice reconstruction algorithms. For a table speed up to 100 mm per rotation, GSR demonstrates good image quality for both the low-contrast ball phantom and thorax phantom. All other performance parameters are comparable to the single-slice 180 deg. LI (linear interpolation) algorithm, which is considered the 'gold standard'. GSR also achieves high computing efficiency and good temporal resolution, making it an attractive alternative for the reconstruction of next generation multislice spiral CT data

Near-Surface Seismic Velocity Data: A Computer Program For ...

African Journals Online (AJOL)

A computer program (NESURVELANA) has been developed in Visual Basic Computer programming language to carry out a near surface velocity analysis. The method of analysis used includes: Algorithms design and Visual Basic codes generation for plotting arrival time (ms) against geophone depth (m) employing the ...

Investigation on the micromilled surface characterization through replica technology

DEFF Research Database (Denmark)

Baruffi, Federico; Parenti, P.; Cacciatore, F.

2016-01-01

for the indirect measurement of micromilled surfaces, characterized by submicrometer roughness levels. The study assesses the performance of the replication method by measuring the surface roughness (in terms of Sa) of specifically designed micromilled flat surfaces. A 3D confocal optical microscope is employed...

Spinorial characterizations of surfaces into 3-dimensional psuedo-Riemannian space forms

OpenAIRE

Lawn , Marie-Amélie; Roth , Julien

2011-01-01

9 pages; We give a spinorial characterization of isometrically immersed surfaces of arbitrary signature into 3-dimensional pseudo-Riemannian space forms. For Lorentzian surfaces, this generalizes a recent work of the first author in $\\mathbb{R}^{2,1}$ to other Lorentzian space forms. We also characterize immersions of Riemannian surfaces in these spaces. From this we can deduce analogous results for timelike immersions of Lorentzian surfaces in space forms of corresponding signature, as well ...

Surface spectroscopic characterization of a model methane-activation catalyst

International Nuclear Information System (INIS)

Chen, J.G.; Weisel, M.D.; Hoffmann, F.M.; Hall, R.B.

1992-01-01

In an effort to understand the details concerning the alkali-promoted selectivity for the oxidative coupling of methane, the authors have carried out a detailed characterization of a model K/NiO/Ni(100) catalyst under well-controlled, ultrahigh vacuum conditions. The authors' systematic approach involved the following procedures: detailed investigation of the formation and structure of NiO on a clean Ni(100) surface; spectroscopic characterization of K-doped NiO by in situ deposition of potassium onto well-characterized NiO/Ni(100) substrate; and determination of the reactivities of NiO/Ni(100) and K/NiO/Ni(100) towards H 2 and CH 4 . In this paper, the authors will use the model K/NiO/Ni(100) system as an example to demonstrate that a detailed, complementary characterization of the model catalyst could best be achieved by using a combination of a variety of surface techniques: The methods of HREELS, LEED, XPS and AES could be applied to obtain properties on and near the surface regions; the technique of FYNES, being a photon-in/photon-out method could be utilized to investigate the bulk properties up to 2000 Angstrom below the surface; the method of FTIR using CO as a probing molecule is, on the other hand, sensitive only to the properties of the top-most surface layer. The result is to be presented in this paper will be mainly those obtained by using the two vibrational spectroscopies (HREELS and FTIR). Results from other surface techniques will also be discussed or presented when they provide additional information to the vibrational data

Synthesis, surface characterization and optical properties of 3

Indian Academy of Sciences (India)

3-Thiopropionic acid (TPA) capped ZnS:Cu nanocrystals have been successfully synthesized by simple aqueous method. Powder X-ray diffraction (XRD) studies revealed the particle size to be 4.2 nm. Surface characterization of the nanocrystals by FTIR spectroscopy has been done and the structure for surface bound TPA ...

Surface characterization of Ag/Titania adsorbents

International Nuclear Information System (INIS)

Samokhvalov, Alexander; Nair, Sachin; Duin, Evert C.; Tatarchuk, Bruce J.

2010-01-01

The Ag/Titania adsorbent for selective removal of the desulfurization-refractive polycyclic aromatic sulfur heterocycles (PASHs) from liquid hydrocarbon fuels was prepared, its total and the Ag specific surface area were determined and the surface reaction sites in the sorbent that may be active in the adsorptive selective desulfurization were characterized by several spectroscopic and surface science techniques. The sorbent contains Ag, Ti, O and spurious C on its surface, as by the XPS measurements. Silver is present as an oxide, as judged by the XPS Auger parameter (AP). The complementary electron spin resonance (ESR) spectroscopy confirms that the majority of Ag is present in the diamagnetic Ag 1+ form, with the minor concentration (∼0.1% of total Ag) present as Ag 2+ . The findings by XPS and ESR are confirmed by the XRD, UV-vis spectroscopy and thermodynamic considerations. The supported Ag is highly dispersed on the surface of the titania support, with the particle size of ∼30-60 A depending on Ag content, with an Ag specific surface area of ∼7-14 m 2 /g, vs. the total surface area of ∼114-58 m 2 /g.

Computation Sequences: A Way to Characterize Classes of Attribute Grammars

DEFF Research Database (Denmark)

Nielson, Hanne Riis

1983-01-01

A computation sequence for a derivation tree specifies a way of walking through the tree evaluating all the attributes of all nodes. By requiring that each derivation tree has a computation sequence with a certain property, it is possible to give simple characterizations of well-known subclasses ...

Spinorial Characterizations of Surfaces into 3-dimensional Pseudo-Riemannian Space Forms

International Nuclear Information System (INIS)

Lawn, Marie-Amélie; Roth, Julien

2011-01-01

We give a spinorial characterization of isometrically immersed surfaces of arbitrary signature into 3-dimensional pseudo-Riemannian space forms. This generalizes a recent work of the first author for spacelike immersed Lorentzian surfaces in ℝ 2,1 to other Lorentzian space forms. We also characterize immersions of Riemannian surfaces in these spaces. From this we can deduce analogous results for timelike immersions of Lorentzian surfaces in space forms of corresponding signature, as well as for spacelike and timelike immersions of surfaces of signature (0, 2), hence achieving a complete spinorial description for this class of pseudo-Riemannian immersions.

Computed Tomography characterization of the Green Fiber Bottle

DEFF Research Database (Denmark)

Saxena, Prateek; Bissacco, Giuliano

The work carried out in this research aims at identifying suitable ways for thorough characterization of the quality of paper bottles. Industrial X-ray Computed Tomography (XCT) is particularly advantageous in determining the quality of paper bottles and thus correlating it with the production...

Navier-Stokes Computations With One-Equation Turbulence Model for Flows Along Concave Wall Surfaces

Science.gov (United States)

Wang, Chi R.

2005-01-01

This report presents the use of a time-marching three-dimensional compressible Navier-Stokes equation numerical solver with a one-equation turbulence model to simulate the flow fields developed along concave wall surfaces without and with a downstream extension flat wall surface. The 3-D Navier- Stokes numerical solver came from the NASA Glenn-HT code. The one-equation turbulence model was derived from the Spalart and Allmaras model. The computational approach was first calibrated with the computations of the velocity and Reynolds shear stress profiles of a steady flat plate boundary layer flow. The computational approach was then used to simulate developing boundary layer flows along concave wall surfaces without and with a downstream extension wall. The author investigated the computational results of surface friction factors, near surface velocity components, near wall temperatures, and a turbulent shear stress component in terms of turbulence modeling, computational mesh configurations, inlet turbulence level, and time iteration step. The computational results were compared with existing measurements of skin friction factors, velocity components, and shear stresses of the developing boundary layer flows. With a fine computational mesh and a one-equation model, the computational approach could predict accurately the skin friction factors, near surface velocity and temperature, and shear stress within the flows. The computed velocity components and shear stresses also showed the vortices effect on the velocity variations over a concave wall. The computed eddy viscosities at the near wall locations were also compared with the results from a two equation turbulence modeling technique. The inlet turbulence length scale was found to have little effect on the eddy viscosities at locations near the concave wall surface. The eddy viscosities, from the one-equation and two-equation modeling, were comparable at most stream-wise stations. The present one

Surface science tools for nanomaterials characterization

CERN Document Server

2015-01-01

Fourth volume of a 40volume series on nano science and nanotechnology, edited by the renowned scientist Challa S.S.R. Kumar. This handbook gives a comprehensive overview about Surface Science Tools for Nanomaterials Characterization. Modern applications and state-of-the-art techniques are covered and make this volume an essential reading for research scientists in academia and industry.

Constant Width Planar Computation Characterizes ACC⁰

DEFF Research Database (Denmark)

Hansen, K.A.

2004-01-01

We obtain a characterization of ACC 0 in terms of a natural class of constant width circuits, namely in terms of constant width polynomial size planar circuits. This is shown via a characterization of the class of acyclic digraphs which can be embedded on a cylinder surface in such a way that all...

Characterization of technical surfaces by structure function analysis

Science.gov (United States)

Kalms, Michael; Kreis, Thomas; Bergmann, Ralf B.

2018-03-01

The structure function is a tool for characterizing technical surfaces that exhibits a number of advantages over Fourierbased analysis methods. So it is optimally suited for analyzing the height distributions of surfaces measured by full-field non-contacting methods. The structure function is thus a useful method to extract global or local criteria like e. g. periodicities, waviness, lay, or roughness to analyze and evaluate technical surfaces. After the definition of line- and area-structure function and offering effective procedures for their calculation this paper presents examples using simulated and measured data of technical surfaces including aircraft parts.

A simplified approach to characterizing a kilovoltage source spectrum for accurate dose computation

Energy Technology Data Exchange (ETDEWEB)

Poirier, Yannick; Kouznetsov, Alexei; Tambasco, Mauro [Department of Physics and Astronomy, University of Calgary, Calgary, Alberta T2N 4N2 (Canada); Department of Physics and Astronomy and Department of Oncology, University of Calgary and Tom Baker Cancer Centre, Calgary, Alberta T2N 4N2 (Canada)

2012-06-15

Purpose: To investigate and validate the clinical feasibility of using half-value layer (HVL) and peak tube potential (kVp) for characterizing a kilovoltage (kV) source spectrum for the purpose of computing kV x-ray dose accrued from imaging procedures. To use this approach to characterize a Varian Registered-Sign On-Board Imager Registered-Sign (OBI) source and perform experimental validation of a novel in-house hybrid dose computation algorithm for kV x-rays. Methods: We characterized the spectrum of an imaging kV x-ray source using the HVL and the kVp as the sole beam quality identifiers using third-party freeware Spektr to generate the spectra. We studied the sensitivity of our dose computation algorithm to uncertainties in the beam's HVL and kVp by systematically varying these spectral parameters. To validate our approach experimentally, we characterized the spectrum of a Varian Registered-Sign OBI system by measuring the HVL using a Farmer-type Capintec ion chamber (0.06 cc) in air and compared dose calculations using our computationally validated in-house kV dose calculation code to measured percent depth-dose and transverse dose profiles for 80, 100, and 125 kVp open beams in a homogeneous phantom and a heterogeneous phantom comprising tissue, lung, and bone equivalent materials. Results: The sensitivity analysis of the beam quality parameters (i.e., HVL, kVp, and field size) on dose computation accuracy shows that typical measurement uncertainties in the HVL and kVp ({+-}0.2 mm Al and {+-}2 kVp, respectively) source characterization parameters lead to dose computation errors of less than 2%. Furthermore, for an open beam with no added filtration, HVL variations affect dose computation accuracy by less than 1% for a 125 kVp beam when field size is varied from 5 Multiplication-Sign 5 cm{sup 2} to 40 Multiplication-Sign 40 cm{sup 2}. The central axis depth dose calculations and experimental measurements for the 80, 100, and 125 kVp energies agreed within

A waveless free surface flow past a submerged triangular obstacle in presence of surface tension

Directory of Open Access Journals (Sweden)

Hakima Sekhri

2016-07-01

Full Text Available We consider the Free surface flows passing a submerged triangular obstacle at the bottom of a channel. The problem is characterized by a nonlinear boundary condition on the surface of unknown configuration. The analytical exact solutions for these problems are not known. Following Dias and Vanden Broeck [6], we computed numerically the solutions via a series truncation method. These solutions depend on two parameters: the Weber number $\\alpha$ characterizing the strength of the surface tension and the angle $\\beta$ at the base characterizing the shape of the apex. Although free surface flows with surface tension admit capillary waves, it is found that solution exist only for values of the Weber number greater than $\\alpha_0$ for different configurations of the triangular obstacle.

On-Surface Synthesis and Characterization of Honeycombene Oligophenylene Macrocycles.

Science.gov (United States)

Chen, Min; Shang, Jian; Wang, Yongfeng; Wu, Kai; Kuttner, Julian; Hilt, Gerhard; Hieringer, Wolfgang; Gottfried, J Michael

2017-01-24

We report the on-surface formation and characterization of [30]-honeycombene, a cyclotriacontaphenylene, which consists of 30 phenyl rings (C 180 H 120 ) and has a diameter of 4.0 nm. This shape-persistent, conjugated, and unsubstituted hexagonal hydrocarbon macrocycle was obtained by solvent-free synthesis on a silver (111) single-crystal surface, making solubility-enhancing alkyl side groups unnecessary. Side products include strained macrocycles with square, pentagonal, and heptagonal shape. The molecules were characterized by scanning tunneling microscopy and density functional theory (DFT) calculations. On the Ag(111) surface, the macrocycles act as molecular quantum corrals and lead to the confinement of surface-state electrons inside the central cavity. The energy of the confined surface state correlates with the size of the macrocycle and is well described by a particle-in-the-box model. Tunneling spectroscopy suggests conjugation within the planar rings and reveals influences of self-assembly on the electronic structure. While the adsorbed molecules appear to be approximately planar, the free molecules have nonplanar conformation, according to DFT.

Characterization of complementary electric field coupled resonant surfaces

Science.gov (United States)

Hand, Thomas H.; Gollub, Jonah; Sajuyigbe, Soji; Smith, David R.; Cummer, Steven A.

2008-11-01

We present angle-resolved free-space transmission and reflection measurements of a surface composed of complementary electric inductive-capacitive (CELC) resonators. By measuring the reflection and transmission coefficients of a CELC surface with different polarizations and particle orientations, we show that the CELC only responds to in-plane magnetic fields. This confirms the Babinet particle duality between the CELC and its complement, the electric field coupled LC resonator. Characterization of the CELC structure serves to expand the current library of resonant elements metamaterial designers can draw upon to make unique materials and surfaces.

Surface characterization of silver and palladium modified glassy ...

Indian Academy of Sciences (India)

WINTEC

The morphology of metal coatings was characterized by ... face of sample containing the highest quantity of surface oxide complexes. It has been concluded that ..... Environment Protection of the Republic of Serbia for financial support.

Micro- and nanoscale characterization of hydrophobic and hydrophilic leaf surfaces

International Nuclear Information System (INIS)

Bhushan, Bharat; Jung, Yong Chae

2006-01-01

Superhydrophobic surfaces as well as low adhesion and friction are desirable for various industrial applications. Certain plant leaves are known to be hydrophobic in nature due to their roughness and the presence of a thin wax film on the surface of the leaf. The purpose of this study is to fully characterize the leaf surfaces on the micro- and nanoscale while separating out the effects of the micro- and the nanobumps of hydrophobic leaves on the hydrophobicity. Hydrophilic leaves were also studied to better understand the role of wax and roughness. Furthermore, the adhesion and friction properties of hydrophobic and hydrophilic leaves were studied. Using an optical profiler and an atomic/friction force microscope (AFM/FFM), measurements were made to fully characterize the leaf surfaces. It is shown that the nanobumps play a more important role than the microbumps in the hydrophobic nature as well as friction of the leaf. This study will be useful in developing superhydrophobic surfaces

Computation of stress on the surface of a soft homogeneous arbitrarily shaped particle.

Science.gov (United States)

Yang, Minglin; Ren, Kuan Fang; Wu, Yueqian; Sheng, Xinqing

2014-04-01

Prediction of the stress on the surface of an arbitrarily shaped particle of soft material is essential in the study of elastic properties of the particles with optical force. It is also necessary in the manipulation and sorting of small particles with optical tweezers, since a regular-shaped particle, such as a sphere, may be deformed under the nonuniform optical stress on its surface. The stress profile on a spherical or small spheroidal soft particle trapped by shaped beams has been studied, however little work on computing the surface stress of an irregular-shaped particle has been reported. We apply in this paper the surface integral equation with multilevel fast multipole algorithm to compute the surface stress on soft homogeneous arbitrarily shaped particles. The comparison of the computed stress profile with that predicted by the generalized Lorenz-Mie theory for a water droplet of diameter equal to 51 wavelengths in a focused Gaussian beam show that the precision of our method is very good. Then stress profiles on spheroids with different aspect ratios are computed. The particles are illuminated by a Gaussian beam of different waist radius at different incidences. Physical analysis on the mechanism of optical stress is given with help of our recently developed vectorial complex ray model. It is found that the maximum of the stress profile on the surface of prolate spheroids is not only determined by the reflected and refracted rays (orders p=0,1) but also the rays undergoing one or two internal reflections where they focus. Computational study of stress on surface of a biconcave cell-like particle, which is a typical application in life science, is also undertaken.

Characterization of the damage produced on different materials surfaces

International Nuclear Information System (INIS)

Dellavale Clara, Hector Damian

2004-01-01

In the present work the characterization techniques of surfaces ULOI and RIMAPS have been applied on laboratory samples made from aluminium, stainless steel and material based on fiberglass.The resultant surfaces of, chemical etching with corrosive agents Keller and Tucker, mechanic damage from the wear and tear of abrasive paper and sandrubbing with alumina particles, are analyzed to different level of damage.The systematic application of the above mentioned techniques is carried out with the objective of finding information, which allows to characterize the superficial damage, both in its incipient state as in the extreme situation revealed by the presence of etch pits. Important results have been obtained, in the characterization of the incipient stage of the chemical etching, using the curves of the normalized area.In addition, it was possible to verify the capacity of the techniques in the early detection of the preferential directions generated by the etch pits

Evaluation of shot peened surfaces using characterization technique of three-dimensional surface topography

International Nuclear Information System (INIS)

Kurokawa, S; Ariura, Y

2005-01-01

Objective parameters to characterize global topography of three-dimensional surfaces have been derived. The idea of this evaluation is to separate the topography into two global form deviations and residual ones according to the degree of curved surfaces. A shot peened Almen strip is measured by profilometer and concrete parameters of inclination and circular-arc shaped global topography are extracted using the characterization technique. The arc height is calculated using the circular arc-shaped part and compared with a value measured by an Almen gauge. The relation between the coverage and roughness parameters is also investigated. The advantage of this evaluation is that it is possible to determine the arc height and the coverage at the same time from single measured topography. In addition, human error can be excluded from measurement results. This method has the wide application in the field of measurement

Computational methods for 2D materials: discovery, property characterization, and application design.

Science.gov (United States)

Paul, J T; Singh, A K; Dong, Z; Zhuang, H; Revard, B C; Rijal, B; Ashton, M; Linscheid, A; Blonsky, M; Gluhovic, D; Guo, J; Hennig, R G

2017-11-29

The discovery of two-dimensional (2D) materials comes at a time when computational methods are mature and can predict novel 2D materials, characterize their properties, and guide the design of 2D materials for applications. This article reviews the recent progress in computational approaches for 2D materials research. We discuss the computational techniques and provide an overview of the ongoing research in the field. We begin with an overview of known 2D materials, common computational methods, and available cyber infrastructures. We then move onto the discovery of novel 2D materials, discussing the stability criteria for 2D materials, computational methods for structure prediction, and interactions of monolayers with electrochemical and gaseous environments. Next, we describe the computational characterization of the 2D materials' electronic, optical, magnetic, and superconducting properties and the response of the properties under applied mechanical strain and electrical fields. From there, we move on to discuss the structure and properties of defects in 2D materials, and describe methods for 2D materials device simulations. We conclude by providing an outlook on the needs and challenges for future developments in the field of computational research for 2D materials.

Synthesis, characterization and computational study of the newly synthetized sulfonamide molecule

Science.gov (United States)

Murthy, P. Krishna; Suneetha, V.; Armaković, Stevan; Armaković, Sanja J.; Suchetan, P. A.; Giri, L.; Rao, R. Sreenivasa

2018-02-01

A new compound N-(2,5-dimethyl-4-nitrophenyl)-4-methylbenzenesulfonamide (NDMPMBS) has been derived from 2,5-dimethyl-4-nitroaniline and 4-methylbenzene-1-sulfonyl chloride. Structure was characterized by SCXRD studies and spectroscopic tools. Compound crystallized in the monoclinic crystal system with P21/c space group a = 10.0549, b = 18.967, c = 8.3087, β = 103.18 and Z = 4. Type and nature of intermolecular interaction in crystal state investigated by 3D-Hirshfeld surface and 2D-finger print plots revealed that title compound stabilized by several interactions. The structural and electronic properties of title compound have been calculated at DFT/B3LYP/6-311G++(d,p) level of theory. Computationally obtained spectral data was compared with experimental results, showing excellent mutual agreement. Assignment of each vibrational wave number was done on the basis of potential energy distribution (PED). Investigation of local reactivity descriptors encompassed visualization of molecular electrostatic potential (MEP) and average local ionization energy (ALIE) surfaces, visualization of Fukui functions, natural bond order (NBO) analysis, bond dissociation energies for hydrogen abstraction (H-BDE) and radial distribution functions (RDF) after molecular dynamics (MD) simulations. MD simulations were also used in order to investigate interaction of NDMPMBS molecule with 1WKR and 3ETT proteins protein.

Surface Characterization of Nanoparticles: Critical Needs and Significant Challenges

International Nuclear Information System (INIS)

Baer, Donald R.

2011-01-01

There is a growing recognition that nanoparticles and other nanostructured materials are sometimes inadequately characterized and that this may limit or even invalidate some of the conclusions regarding particle properties and behavior. A number of international organizations are working to establish the essential measurement requirements that enable adequate understanding of nanoparticle properties for both technological applications and for environmental health issues. Our research on the interaction of iron metal-core oxide-shell nanoparticles with environmental contaminants and studies of the behaviors of ceria nanoparticles, with a variety of medical, catalysis and energy applications, have highlighted a number of common nanoparticle characterization challenges that have not been fully recognized by parts of the research community. This short review outlines some of these characterization challenges based on our research observations and using other results reported in the literature. Issues highlighted include: (1) the importance of surfaces and surface characterization, (2) nanoparticles are often not created equal - subtle differences in synthesis and processing can have large impacts; (3) nanoparticles frequently change with time having lifetime implications for products and complicating understanding of health and safety impacts; (4) the high sensitivity of nanoparticles to their environment complicates characterization and applications in many ways; (5) nanoparticles are highly unstable and easily altered (damaged) during analysis.

Characterization and robust filtering of multifunctional surfaces using ISO standards

DEFF Research Database (Denmark)

Friis, Kasper Storgaard; Godi, Alessandro; De Chiffre, Leonardo

2011-01-01

Engineered surfaces containing lubrication pockets and directional surface texture can decrease wear and friction in sliding or rolling contacts. A new generation of multifunctional (MUFU) surfaces has been created by hard machining followed by robot-assisted polishing. The production method allows...... for a large degree of freedom in specifying surface topography defined by frequency, depth and volume of the lubricant retention valleys, as well as the amount of load bearing area and the surface roughness. The surfaces cannot readily be characterized by means of conventional roughness parameters due...

Map of natural gamma radiation in Spain: radiometric characterization of different types of surfaces

International Nuclear Information System (INIS)

Suarez Mahou, E.; Fernandez Amigot, J.A.; Botas Medina, J.

1997-01-01

The gamma radioactivity flowing from ground and rocks is due to the presence in these of uranium, thorium and potassium-40. The method of radiometric characterization depends on the purpose of the undertaking. Radiometric characterization can be realized on big surfaces (tens or hundreds of square kilometres studied on a national scale), medium size surfaces (50 to 1000 square kilometres, for example, in epidemiological or biological studies in areas with a determined radiometric background) small surfaces of less than 50 square kilometres (industrial sites, pre-operational studies, etc.). This article considers aspects of radiometric characterization on surfaces of interest and describes the contribution of the MARNA (Natural Provisional Radiation Map of Spain) Project selection and radiometric characterization

Surface characterization of pretreated and microbial-treated populus cross-sections

Energy Technology Data Exchange (ETDEWEB)

Tolbert, Allison K. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2017-05-01

The first objective of this thesis is to illustrate the advantages of surface characterization in biomass utilization studies. The second objective is to gain insight into the workings of potential consolidated bioprocessing microorganisms on the surface of poplar samples. The third objective is to determine the impact biomass recalcitrance has on enzymatic hydrolysis and microbial fermentation in relation to the surface chemistry.

Films made of cellulose nanofibrils: surface modification by adsorption of a cationic surfactant and characterization by computer-assisted electron microscopy

International Nuclear Information System (INIS)

Syverud, K.; Xhanari, K.; Chinga-Carrasco, G.; Yu, Y.; Stenius, P.

2011-01-01

Films made of nanofibrils were modified by adsorption of a cationic surfactant directly on the film surfaces. The nanofibrils were prepared by 2,2,6,6-tetramethylpiperidinyl-1-oxyl (TEMPO)-mediated oxidation and mechanical fibrillation, and were relatively homogeneous in size. The average nanofibril diameter and surface porosity was quantified based on computer-assisted field-emission scanning electron microscopy (FE-SEM). The cationic surfactant used in the adsorption was n-hexadecyl trimethylammonium bromide (cetyltrimethylammonium bromide, CTAB). The adsorption of CTAB was confirmed by Fourier transform infrared (FTIR) spectroscopy and high-resolution transmission electron microscopy (HRTEM) analyses. It was shown that the adsorbed layer of CTAB increased the hydrophobicity, without affecting the tensile index significantly. This capability, combined with the antiseptic properties of CTAB, may be a major advantage for several applications.

Functional properties of bio-inspired surfaces: characterization and technological applications

National Research Council Canada - National Science Library

Favret, Eduardo A; Fuentes, Néstor O

2009-01-01

... technological materials. It analyses how such surfaces can be described and characterized using microscopic techniques and thus reproduced, encompassing the important areas of current surface replication techniques and the associated acquisition of good master structures. It is well known that biological systems have the ability to sense, ...

Materials-by-design: computation, synthesis, and characterization from atoms to structures

Science.gov (United States)

Yeo, Jingjie; Jung, Gang Seob; Martín-Martínez, Francisco J.; Ling, Shengjie; Gu, Grace X.; Qin, Zhao; Buehler, Markus J.

2018-05-01

In the 50 years that succeeded Richard Feynman’s exposition of the idea that there is ‘plenty of room at the bottom’ for manipulating individual atoms for the synthesis and manufacturing processing of materials, the materials-by-design paradigm is being developed gradually through synergistic integration of experimental material synthesis and characterization with predictive computational modeling and optimization. This paper reviews how this paradigm creates the possibility to develop materials according to specific, rational designs from the molecular to the macroscopic scale. We discuss promising techniques in experimental small-scale material synthesis and large-scale fabrication methods to manipulate atomistic or macroscale structures, which can be designed by computational modeling. These include recombinant protein technology to produce peptides and proteins with tailored sequences encoded by recombinant DNA, self-assembly processes induced by conformational transition of proteins, additive manufacturing for designing complex structures, and qualitative and quantitative characterization of materials at different length scales. We describe important material characterization techniques using numerous methods of spectroscopy and microscopy. We detail numerous multi-scale computational modeling techniques that complements these experimental techniques: DFT at the atomistic scale; fully atomistic and coarse-grain molecular dynamics at the molecular to mesoscale; continuum modeling at the macroscale. Additionally, we present case studies that utilize experimental and computational approaches in an integrated manner to broaden our understanding of the properties of two-dimensional materials and materials based on silk and silk-elastin-like proteins.

Anisotropic characterization of rock fracture surfaces subjected to profile analysis

International Nuclear Information System (INIS)

Zhou, H.W.; Xie, H.

2004-01-01

The mechanical parameters of a rock fracture are dependent on its surface roughness anisotropy. In this Letter, we show how quantitatively describe the anisotropy of a rock fracture surface. A parameter, referred to as the index for the accumulation power spectral density psd*, is proposed to characterize the anisotropy of a rock fracture surface. Variation of psd*, with orientation angle θ of sampling, is also discussed

Surface characterization of nanomaterials and nanoparticles: Important needs and challenging opportunities

International Nuclear Information System (INIS)

Baer, Donald R.; Engelhard, Mark H.; Johnson, Grant E.; Laskin, Julia; Lai, Jinfeng; Mueller, Karl; Munusamy, Prabhakaran; Thevuthasan, Suntharampillai; Wang, Hongfei; Washton, Nancy; Elder, Alison; Baisch, Brittany L.; Karakoti, Ajay; Kuchibhatla, Satyanarayana V. N. T.; Moon, DaeWon

2013-01-01

This review examines characterization challenges inherently associated with understanding nanomaterials and the roles surface and interface characterization methods can play in meeting some of the challenges. In parts of the research community, there is growing recognition that studies and published reports on the properties and behaviors of nanomaterials often have reported inadequate or incomplete characterization. As a consequence, the true value of the data in these reports is, at best, uncertain. With the increasing importance of nanomaterials in fundamental research and technological applications, it is desirable that researchers from the wide variety of disciplines involved recognize the nature of these often unexpected challenges associated with reproducible synthesis and characterization of nanomaterials, including the difficulties of maintaining desired materials properties during handling and processing due to their dynamic nature. It is equally valuable for researchers to understand how characterization approaches (surface and otherwise) can help to minimize synthesis surprises and to determine how (and how quickly) materials and properties change in different environments. Appropriate application of traditional surface sensitive analysis methods (including x-ray photoelectron and Auger electron spectroscopies, scanning probe microscopy, and secondary ion mass spectroscopy) can provide information that helps address several of the analysis needs. In many circumstances, extensions of traditional data analysis can provide considerably more information than normally obtained from the data collected. Less common or evolving methods with surface selectivity (e.g., some variations of nuclear magnetic resonance, sum frequency generation, and low and medium energy ion scattering) can provide information about surfaces or interfaces in working environments (operando or in situ) or information not provided by more traditional methods. Although these methods may

Direct Monte Carlo dose calculation using polygon-surface computational human model

International Nuclear Information System (INIS)

Jeong, Jong Hwi; Kim, Chan Hyeong; Yeom, Yeon Su; Cho, Sungkoo; Chung, Min Suk; Cho, Kun-Woo

2011-01-01

In the present study, a voxel-type computational human model was converted to a polygon-surface model, after which it was imported directly to the Geant4 code without using a voxelization process, that is, without converting back to a voxel model. The original voxel model was also imported to the Geant4 code, in order to compare the calculated dose values and the computational speed. The average polygon size of the polygon-surface model was ∼0.5 cm 2 , whereas the voxel resolution of the voxel model was 1.981 × 1.981 × 2.0854 mm 3 . The results showed a good agreement between the calculated dose values of the two models. The polygon-surface model was, however, slower than the voxel model by a factor of 6–9 for the photon energies and irradiation geometries considered in the present study, which nonetheless is considered acceptable, considering that direct use of the polygon-surface model does not require a separate voxelization process. (author)

Efficient 3D geometric and Zernike moments computation from unstructured surface meshes.

Science.gov (United States)

Pozo, José María; Villa-Uriol, Maria-Cruz; Frangi, Alejandro F

2011-03-01

This paper introduces and evaluates a fast exact algorithm and a series of faster approximate algorithms for the computation of 3D geometric moments from an unstructured surface mesh of triangles. Being based on the object surface reduces the computational complexity of these algorithms with respect to volumetric grid-based algorithms. In contrast, it can only be applied for the computation of geometric moments of homogeneous objects. This advantage and restriction is shared with other proposed algorithms based on the object boundary. The proposed exact algorithm reduces the computational complexity for computing geometric moments up to order N with respect to previously proposed exact algorithms, from N(9) to N(6). The approximate series algorithm appears as a power series on the rate between triangle size and object size, which can be truncated at any desired degree. The higher the number and quality of the triangles, the better the approximation. This approximate algorithm reduces the computational complexity to N(3). In addition, the paper introduces a fast algorithm for the computation of 3D Zernike moments from the computed geometric moments, with a computational complexity N(4), while the previously proposed algorithm is of order N(6). The error introduced by the proposed approximate algorithms is evaluated in different shapes and the cost-benefit ratio in terms of error, and computational time is analyzed for different moment orders.

Preparation of surface enhanced Raman substrate and its characterization

Science.gov (United States)

Liu, Y.; Wang, J. Y.; Wang, J. Q.

2017-10-01

Surface enhanced Raman spectroscopy (SERS) is a fast, convenient and highly sensitive detection technique, and preparing the good effect and repeatable substrate is the key to realize the trace amount and quantitative detection in the field of food safety detection. In this paper, a surface enhanced Raman substrate based on submicrometer silver particles structure was prepared by chemical deposition method, and characterized its structure and optical properties.

Surface characterization of self-assembled N-Cu nanostructures

Energy Technology Data Exchange (ETDEWEB)

Cristina, Lucila J.; Moreno-Lopez, Juan C. [Laboratorio de Superficies e Interfaces, Instituto de Desarrollo Tecnologico para la Industria Quimica (CONICET-UNL), Gueemes 3450, (S3000GLN) Santa Fe (Argentina); Sferco, Silvano J. [Laboratorio de Superficies e Interfaces, Instituto de Desarrollo Tecnologico para la Industria Quimica (CONICET-UNL), Gueemes 3450, (S3000GLN) Santa Fe (Argentina); Departamento de Fisica, Facultad de Bioquimica y Ciencias Biologicas, Universidad Nacional del Litoral, Ciudad Universitaria, C.C. 242, (S3000ZAA) Santa Fe (Argentina); Passeggi, Mario C.G.; Vidal, Ricardo A. [Laboratorio de Superficies e Interfaces, Instituto de Desarrollo Tecnologico para la Industria Quimica (CONICET-UNL), Gueemes 3450, (S3000GLN) Santa Fe (Argentina); Ferron, Julio, E-mail: jferron@intec.unl.edu.ar [Laboratorio de Superficies e Interfaces, Instituto de Desarrollo Tecnologico para la Industria Quimica (CONICET-UNL), Gueemes 3450, (S3000GLN) Santa Fe (Argentina); Departamento de Materiales, Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santiago del Estero 2829,(S3000AOM) Santa Fe (Argentina)

2012-01-01

We report on the process of low energy N{sub 2}{sup +} implantation and annealing of a Cu(0 0 1) surface. Through AES we study the N diffusion process as a function of the substrate temperature. With STM and LEIS we characterize the surface morphology and the electronic structure is analyzed with ARUPS. Under annealing (500 < T < 700 K) N migrates to the surface and reacts forming a Cu{sub x}N compound that decomposes at temperatures above 700 K. LEIS measurements show that N locates on the four-fold hollow sites of the Cu(0 0 1) surface in a c(2 Multiplication-Sign 2) arrangement. Finally, a gap along the [0 0 1] azimuthal direction is determined by ARUPS. DFT calculations provide support to our conclusions.

Derivatization, characterization, and tribological behavior of an amine-terminated polymer surface

International Nuclear Information System (INIS)

Ren, S.L.; Yang, S.R.; Zhao, Y.P.

2004-01-01

The derivatization, characterization, and micro-tribological behavior of an amine-terminated polymer surface were investigated. Thus, the heptafluorobutyric anhydride (HFBA) derivatized film was characterized by means of contact-angle measurement and X-ray photoelectron spectroscopy (XPS). It was found that the HFBA-derivatized film was generated on the PEI surface in the presence of a chemical amide bond. The tribological properties were characterized as well. The polymer PEI film had relative high adhesion, friction, and poor anti-wear ability, while the HFBA-derivatized polymer film possessed a very low adhesive force of only about 5.5 nN (a pyramidal Si 3 N 4 tip with radius of curvature about 50 nm was used to measure the adhesion), which was more than an order of magnitude lower than that of the silicon substrate surface. Besides, the HFBA-derivatized film registered good friction-reducing ability and thermal stability. Thus, a good alternative method was presented to improve the tribological properties of polymer film by chemisorbing molecules with low surface energy. This makes it feasible for the derivatized polymer film to find promising application in resolving the tribological problems of micro-electromechanical systems (MEMS)

Computational and experimental characterization of a liquid jet plunging into a quiescent pool at shallow inclination

International Nuclear Information System (INIS)

Deshpande, Suraj S.; Trujillo, Mario F.; Wu Xiongjun; Chahine, Georges

2012-01-01

Highlights: ► Jet impingement at shallow angles results in periodic cavity formation. ► Velocity profile affected both by buoyancy and splashing in the near field. ► Momentum diffusion leads to a velocity maximum at the gas–liquid interface for the far field. - Abstract: A circular water jet (Re = 1.6 × 10 5 ; We = 8.8 × 10 3 ) plunging at shallow angles (θ ≈ 12.5°) into a quiescent pool is investigated computationally and experimentally. A surprising finding from the work is that cavities, of the order of jet diameter, are formed periodically in the impact location, even though the impinging flow is smooth and completely devoid of such a periodicity. Computational prediction of these frequencies was compared with experimental findings, yielding excellent agreement. The region in the vicinity of the impact is characterized by strong churning due to splashing and formation of air cavities. Measured velocity profiles indicate a concentration of momentum beneath the free surface slightly beyond the impact location (X/D j ≈ 14), with a subsequent shift towards the free surface further downstream of this point (X/D j ≈ 30). This shift is due primarily to the action of buoyancy on the cavity/bubble population. Comparisons of the mean velocity profile between simulations and experiments are performed, yielding good agreement, with the exception of the relatively small churning flow region. Further downstream (X/D j ≳ 40), the flow develops mostly due to diffusion and the location of peak velocity coincides with the free surface. In this region, the free surface acts as an adiabatic boundary and restricts momentum diffusion, causing the peak velocity to occur at the free surface.

Computer-aided design of curved surfaces with automatic model generation

Science.gov (United States)

Staley, S. M.; Jerard, R. B.; White, P. R.

1980-01-01

The design and visualization of three-dimensional objects with curved surfaces have always been difficult. The paper given below describes a computer system which facilitates both the design and visualization of such surfaces. The system enhances the design of these surfaces by virtue of various interactive techniques coupled with the application of B-Spline theory. Visualization is facilitated by including a specially built model-making machine which produces three-dimensional foam models. Thus, the system permits the designer to produce an inexpensive model of the object which is suitable for evaluation and presentation.

Computer simulation of the topography evolution on ion bombarded surfaces

CERN Document Server

Zier, M

2003-01-01

The development of roughness on ion bombarded surfaces (facets, ripples) on single crystalline and amorphous homogeneous solids plays an important role for example in depth profiling techniques. To verify a faceting mechanism based not only on sputtering by directly impinging ions but also on the contribution of reflected ions and the redeposition of sputtered material a computer simulation has been carried out. The surface in this model is treated as a two-dimensional line segment profile. The model describes the topography evolution on ion bombarded surfaces including the growth mechanism of a facetted surface, using only the interplay of reflected and primary ions and redeposited atoms.

Surface characterization of low-temperature grown yttrium oxide

Science.gov (United States)

Krawczyk, Mirosław; Lisowski, Wojciech; Pisarek, Marcin; Nikiforow, Kostiantyn; Jablonski, Aleksander

2018-04-01

The step-by-step growth of yttrium oxide layer was controlled in situ using X-ray photoelectron spectroscopy (XPS). The O/Y atomic concentration (AC) ratio in the surface layer of finally oxidized Y substrate was found to be equal to 1.48. The as-grown yttrium oxide layers were then analyzed ex situ using combination of Auger electron spectroscopy (AES), elastic-peak electron spectroscopy (EPES) and scanning electron microscopy (SEM) in order to characterize their surface chemical composition, electron transport phenomena and surface morphology. Prior to EPES measurements, the Y oxide surface was pre-sputtered by 3 kV argon ions, and the resulting AES-derived composition was found to be Y0.383O0.465C0.152 (O/Y AC ratio of 1.21). The SEM images revealed different surface morphology of sample before and after Ar sputtering. The oxide precipitates were observed on the top of un-sputtered Y oxide layer, whereas the oxide growth at the Ar ion-sputtered surface proceeded along defects lines normal to the layer plane. The inelastic mean free path (IMFP) characterizing electron transport was evaluated as a function of energy in the range of 0.5-2 keV from the EPES method. Two reference materials (Ni and Au) were used in these measurements. Experimental IMFPs determined for the Y0.383O0.465C0.152 and Y2O3 surface compositions, λ, were uncorrected for surface excitations and approximated by the simple function λ = kEp at electron energies E between 500 eV and 2000 eV, where k and p were fitted parameters. These values were also compared with IMFPs resulting from the TPP-2 M predictive equation for both oxide compositions. The fitted functions were found to be reasonably consistent with the measured and predicted IMFPs. In both cases, the average value of the mean percentage deviation from the fits varied between 5% and 37%. The IMFPs measured for Y0.383O0.465C0.152 surface composition were found to be similar to the IMFPs for Y2O3.

Laser surface textured titanium alloy (Ti–6Al–4V): Part 1 – Surface characterization

Energy Technology Data Exchange (ETDEWEB)

Pfleging, Wilhelm [Karlsruhe Institute of Technology, IAM-AWP, P.O. Box 3640, 76021 Karlsruhe (Germany); Karlsruhe Nano Micro Facility, H.-von-Helmholtz-Pl. 1, 76344 Egg.-Leopoldshafen (Germany); Kumari, Renu [Department of Metal. and Maters. Eng., I. I. T. Kharagpur, WB 721302 (India); Besser, Heino [Karlsruhe Institute of Technology, IAM-AWP, P.O. Box 3640, 76021 Karlsruhe (Germany); Scharnweber, Tim [Karlsruhe Institute of Technology, IBG-1, P.O. Box 3640, 76021 Karlsruhe (Germany); Majumdar, Jyotsna Dutta, E-mail: jyotsna@metal.iitkgp.ernet.in [Department of Metal. and Maters. Eng., I. I. T. Kharagpur, WB 721302 (India)

2015-11-15

Highlights: • Texturing of Ti–6Al–4V with linear and dimple patterns are developed with ArF laser. • Linear textures have width of 25 μm and are at an interval of 20 μm. • Dimple textures are equi-spaced and have a diameter of 60 μm. • Significant refinement of microstructure in textured zone as compared to substrate. • Increased wettability of the textured surface against simulated body fluid. - Abstract: In the present study, a detailed study of the characterization of laser-surface textured titanium alloy (Ti–6Al–4V) with line and dimple geometry developed by using an ArF excimer laser operating at a wavelength of 193 nm with a pulse length of 5 ns is undertaken. The characterization of the textured surface (both the top surface and cross section) is carried out by scanning electron microscopy, electron back scattered diffraction (EBSD) technique and X-ray diffraction techniques. There is refinement of microstructure along with presence of titanium oxides (rutile, anatase and few Ti{sub 2}O{sub 3} phase) in the textured surface as compared to as-received one. The area fractions of linear texture and dimple texture measured by image analysis software are 45% and 20%, respectively. The wettability is increased after laser texturing. The total surface energy is decreased due to linear (29.6 mN/m) texturing and increased due to dimple (67.6 mN/m) texturing as compared to as-received Ti–6Al–4V (37 mN/m). The effect of polar component is more in influencing the surface energy of textured surface.

Laser surface textured titanium alloy (Ti–6Al–4V): Part 1 – Surface characterization

International Nuclear Information System (INIS)

Pfleging, Wilhelm; Kumari, Renu; Besser, Heino; Scharnweber, Tim; Majumdar, Jyotsna Dutta

2015-01-01

Highlights: • Texturing of Ti–6Al–4V with linear and dimple patterns are developed with ArF laser. • Linear textures have width of 25 μm and are at an interval of 20 μm. • Dimple textures are equi-spaced and have a diameter of 60 μm. • Significant refinement of microstructure in textured zone as compared to substrate. • Increased wettability of the textured surface against simulated body fluid. - Abstract: In the present study, a detailed study of the characterization of laser-surface textured titanium alloy (Ti–6Al–4V) with line and dimple geometry developed by using an ArF excimer laser operating at a wavelength of 193 nm with a pulse length of 5 ns is undertaken. The characterization of the textured surface (both the top surface and cross section) is carried out by scanning electron microscopy, electron back scattered diffraction (EBSD) technique and X-ray diffraction techniques. There is refinement of microstructure along with presence of titanium oxides (rutile, anatase and few Ti_2O_3 phase) in the textured surface as compared to as-received one. The area fractions of linear texture and dimple texture measured by image analysis software are 45% and 20%, respectively. The wettability is increased after laser texturing. The total surface energy is decreased due to linear (29.6 mN/m) texturing and increased due to dimple (67.6 mN/m) texturing as compared to as-received Ti–6Al–4V (37 mN/m). The effect of polar component is more in influencing the surface energy of textured surface.

A Computational Study of Richtmyer-Meshkov Instability with Surface Tension

Science.gov (United States)

Francois, Marianne; Velechovsky, Jan; Jibben, Zach; Masser, Thomas; LANL Collaboration

2017-11-01

We have added the capability to model surface tension in our adaptive mesh refinement compressible flow solver, xRage. Our surface tension capability employs the continuum surface force to model surface tension and the height function method to compute curvatures. We have verified our model implementation for the static and oscillating droplets test cases and the linear regime of the Rayleigh-Taylor instability. With this newly added capability, we have performed a numerical study of the effects of surface tension on single-mode and multi-mode Richtmyer-Meshkov instability. This work was performed under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52 - 06NA25396.

Preparation of ceramic materials for surface characterization

International Nuclear Information System (INIS)

Zipperian, D.C.

1989-01-01

This paper discusses how microstructural preparation permits a microscopic analysis of a material's internal structure, which is related to the physical properties of the material. Today, numerous microstructural quantitative and qualitative measurements are commonly utilized. Several of these include phase determination, phase hardness, phase distribution, grain size and shape, and porosity and size distribution. The most widely used surface characterization techniques are optical microscopy, electron microscopy, and x-ray microscopy. Optical microscopy includes both transmitted-and reflected-light techniques and requires a surface preparation prior to analysis. Transmitted-light microscopy samples require thinning and polishing of both sides of the sample, whereas reflected light techniques require polishing of only one side of the sample

From experiment to design -- Fault characterization and detection in parallel computer systems using computational accelerators

Science.gov (United States)

Yim, Keun Soo

This dissertation summarizes experimental validation and co-design studies conducted to optimize the fault detection capabilities and overheads in hybrid computer systems (e.g., using CPUs and Graphics Processing Units, or GPUs), and consequently to improve the scalability of parallel computer systems using computational accelerators. The experimental validation studies were conducted to help us understand the failure characteristics of CPU-GPU hybrid computer systems under various types of hardware faults. The main characterization targets were faults that are difficult to detect and/or recover from, e.g., faults that cause long latency failures (Ch. 3), faults in dynamically allocated resources (Ch. 4), faults in GPUs (Ch. 5), faults in MPI programs (Ch. 6), and microarchitecture-level faults with specific timing features (Ch. 7). The co-design studies were based on the characterization results. One of the co-designed systems has a set of source-to-source translators that customize and strategically place error detectors in the source code of target GPU programs (Ch. 5). Another co-designed system uses an extension card to learn the normal behavioral and semantic execution patterns of message-passing processes executing on CPUs, and to detect abnormal behaviors of those parallel processes (Ch. 6). The third co-designed system is a co-processor that has a set of new instructions in order to support software-implemented fault detection techniques (Ch. 7). The work described in this dissertation gains more importance because heterogeneous processors have become an essential component of state-of-the-art supercomputers. GPUs were used in three of the five fastest supercomputers that were operating in 2011. Our work included comprehensive fault characterization studies in CPU-GPU hybrid computers. In CPUs, we monitored the target systems for a long period of time after injecting faults (a temporally comprehensive experiment), and injected faults into various types of

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

Science.gov (United States)

Thorp, Scott A.

1992-01-01

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

Design and characterization of textured surfaces for applications in the food industry

Science.gov (United States)

Lazzini, G.; Romoli, L.; Blunt, L.; Gemini, L.

2017-12-01

The aim of this work is to design, manufacture and characterize surface morphologies on AISI 316L stainless steel produced by a custom designed laser-texturing strategy. Surface textures were characterized at a micrometric dimension in terms of areal parameters compliant with ISO 25178, and correlations between these parameters and processing parameters (e.g. laser energy dose supplied to the material, repetition rate of the laser pulses and scanning velocity) were investigated. Preliminary efforts were devoted to the research of special requirements for surface morphology that, according to the commonly accepted research on the influence of surface roughness on cellular adhesion on surfaces, should discourage the formation of biofilms. The topographical characterization of the surfaces was performed with a coherence scanning interferometer. This approach showed that increasing doses of energy to the surfaces increased the global level of roughness as well as the surface complexity. Moreover, the behavior of the parameters S pk, S vk also indicates that, due to the ablation process, an increase in the energy dose causes an average increase in the height of the highest peaks and in the depth of the deepest dales. The study of the density of peaks S pd showed that none of the surfaces analyzed here seem to perfectly match the conditions dictated by the theories on cellular adhesion to confer anti-biofouling properties. However, this result seems to be mainly due to the limits of the resolving power of coherence scanning interferometry, which does not allow the resolution of sub-micrometric features which could be crucial in the prevention of cellular attachment.

A simple surface treatment and characterization of AA 6061 aluminum alloy surface for adhesive bonding applications

International Nuclear Information System (INIS)

Saleema, N.; Sarkar, D.K.; Paynter, R.W.; Gallant, D.; Eskandarian, M.

2012-01-01

Highlights: ► A very simple surface treatment method to achieve excellent and durable aluminum adhesive bonding. ► Our method involves simple immersion of aluminum in very dilute NaOH solution at room temperature with no involvement of strong acids or multiple procedures. ► Surface analysis via various surface characterization techniques showed morphological and chemical modifications favorable for obtaining highly durable bond strengths on the treated surface. ► Safe, economical, reproducible and simple method, easily applicable in industries. - Abstract: Structural adhesive bonding of aluminum is widely used in aircraft and automotive industries. It has been widely noted that surface preparation of aluminum surfaces prior to adhesive bonding plays a significant role in improving the strength of the adhesive bond. Surface cleanliness, surface roughness, surface wettability and surface chemistry are controlled primarily by proper surface treatment methods. In this study, we have employed a very simple technique influencing all these criteria by simply immersing aluminum substrates in a very dilute solution of sodium hydroxide (NaOH) and we have studied the effect of varying the treatment period on the adhesive bonding characteristics. A bi-component epoxy adhesive was used to join the treated surfaces and the bond strengths were evaluated via single lap shear (SLS) tests in pristine as well as degraded conditions. Surface morphology, chemistry, crystalline nature and wettability of the NaOH treated surfaces were characterized using various surface analytical tools such as scanning electron microscopy and energy dispersive X-ray analysis (SEM/EDX), optical profilometry, infrared reflection absorption spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction and contact angle goniometry. Excellent adhesion characteristics with complete cohesive failure of the adhesive were encountered on the NaOH treated surfaces that are comparable to the benchmark

Computational model of surface ablation from tokamak disruptions

International Nuclear Information System (INIS)

Ehst, D.; Hassanein, A.

1993-10-01

Energy transfer to material surfaces is dominated by photon radiation through low temperature plasma vapors if tokamak disruptions are due to low kinetic energy particles ( < 100 eV). Simple models of radiation transport are derived and incorporated into a fast-running computer routine to model this process. The results of simulations are in fair agreement with plasma gun erosion tests on several metal targets

Computed Potential Energy Surfaces and Minimum Energy Pathway for Chemical Reactions

Science.gov (United States)

Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

1994-01-01

Computed potential energy surfaces are often required for computation of such observables as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method with the Dunning correlation consistent basis sets to obtain accurate energetics, gives useful results for a number of chemically important systems. Applications to complex reactions leading to NO and soot formation in hydrocarbon combustion are discussed.

Surface characterization and surface electronic structure of organic quasi-one-dimensional charge transfer salts

DEFF Research Database (Denmark)

Sing, M.; Schwingenschlögl, U.; Claessen, R.

2003-01-01

We have thoroughly characterized the surfaces of the organic charge-transfer salts TTF-TCNQ and (TMTSF)(2)PF6 which are generally acknowledged as prototypical examples of one-dimensional conductors. In particular x-ray-induced photoemission spectroscopy turns out to be a valuable nondestructive...

Characterization of polymer surface structure and surface mechanical behaviour by sum frequency generation surface vibrational spectroscopy and atomic force microscopy

International Nuclear Information System (INIS)

Opdahl, Aric; Koffas, Telly S; Amitay-Sadovsky, Ella; Kim, Joonyeong; Somorjai, Gabor A

2004-01-01

Sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM) have been used to study polymer surface structure and surface mechanical behaviour, specifically to study the relationships between the surface properties of polymers and their bulk compositions and the environment to which the polymer is exposed. The combination of SFG surface vibrational spectroscopy and AFM has been used to study surface segregation behaviour of polyolefin blends at the polymer/air and polymer/solid interfaces. SFG surface vibrational spectroscopy and AFM experiments have also been performed to characterize the properties of polymer/liquid and polymer/polymer interfaces, focusing on hydrogel materials. A method was developed to study the surface properties of hydrogel contact lens materials at various hydration conditions. Finally, the effect of mechanical stretching on the surface composition and surface mechanical behaviour of phase-separated polyurethanes, used in biomedical implant devices, has been studied by both SFG surface vibrational spectroscopy and AFM. (topical review)

Surface microstructure of bitumen characterized by atomic force microscopy.

Science.gov (United States)

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

Evolution of the transfer function characterization of surface scatter phenomena

Science.gov (United States)

Harvey, James E.; Pfisterer, Richard N.

2016-09-01

Based upon the empirical observation that BRDF measurements of smooth optical surfaces exhibited shift-invariant behavior when plotted versus    o , the original Harvey-Shack (OHS) surface scatter theory was developed as a scalar linear systems formulation in which scattered light behavior was characterized by a surface transfer function (STF) reminiscent of the optical transfer function (OTF) of modern image formation theory (1976). This shift-invariant behavior combined with the inverse power law behavior when plotting log BRDF versus log   o was quickly incorporated into several optical analysis software packages. Although there was no explicit smooth-surface approximation in the OHS theory, there was a limitation on both the incident and scattering angles. In 1988 the modified Harvey-Shack (MHS) theory removed the limitation on the angle of incidence; however, a moderate-angle scattering limitation remained. Clearly for large incident angles the BRDF was no longer shift-invariant as a different STF was now required for each incident angle. In 2011 the generalized Harvey-Shack (GHS) surface scatter theory, characterized by a two-parameter family of STFs, evolved into a practical modeling tool to calculate BRDFs from optical surface metrology data for situations that violate the smooth surface approximation inherent in the Rayleigh-Rice theory and/or the moderate-angle limitation of the Beckmann-Kirchhoff theory. And finally, the STF can be multiplied by the classical OTF to provide a complete linear systems formulation of image quality as degraded by diffraction, geometrical aberrations and surface scatter effects from residual optical fabrication errors.

Preparation and surface characterization of plasma-treated and biomolecular-micropatterned polymer substrates

Science.gov (United States)

Langowski, Bryan Alfred

A micropatterning process creates distinct microscale domains on substrate surfaces that differ from the surfaces' original chemical/physical properties. Numerous micropatterning methods exist, each having relative advantages and disadvantages in terms of cost, ease, reproducibility, and versatility. Polymeric surfaces micropatterned with biomolecules have many applications, but are specifically utilized in tissue engineering as cell scaffolds that attempt to controlled tissue generation in vivo and ex vivo. As the physical and chemical cues presented by micropatterned substrates control resulting cellular behavior, characterization of these cues via surface-sensitive analytical techniques is essential in developing cell scaffolds that mimic complex in vivo physicochemical environments. The initial focus of this thesis is the chemical and physical characterization of plasma-treated, microcontact-printed (muCP) polymeric substrates used to direct nerve cell behavior. Unmodified and oxygen plasma-treated poly(methyl methacrylate) (PMMA) substrates were analyzed by surface sensitive techniques to monitor plasma-induced chemical and physical modifications. Additionally, protein-micropattern homogeneity and size were microscopically evaluated. Lastly, poly(dimethylsiloxane) (PDMS) stamps and contaminated PMMA substrates were characterized by spectroscopic and microscopic methods to identify a contamination source during microcontact printing. The final focus of this thesis is the development of microscale plasma-initiated patterning (muPIP) as a versatile, reproducible micropatterning method. Using muPIP, polymeric substrates were micropatterned with several biologically relevant inks. Polymeric substrates were characterized following muPIP by surface-sensitive techniques to identify the technique's underlying physical and chemical bases. In addition, neural stem cell response to muPIP-generated laminin micropatterns was microscopically and biologically evaluated

A task specific uncertainty analysis method for least-squares-based form characterization of ultra-precision freeform surfaces

International Nuclear Information System (INIS)

Ren, M J; Cheung, C F; Kong, L B

2012-01-01

In the measurement of ultra-precision freeform surfaces, least-squares-based form characterization methods are widely used to evaluate the form error of the measured surfaces. Although many methodologies have been proposed in recent years to improve the efficiency of the characterization process, relatively little research has been conducted on the analysis of associated uncertainty in the characterization results which may result from those characterization methods being used. As a result, this paper presents a task specific uncertainty analysis method with application in the least-squares-based form characterization of ultra-precision freeform surfaces. That is, the associated uncertainty in the form characterization results is estimated when the measured data are extracted from a specific surface with specific sampling strategy. Three factors are considered in this study which include measurement error, surface form error and sample size. The task specific uncertainty analysis method has been evaluated through a series of experiments. The results show that the task specific uncertainty analysis method can effectively estimate the uncertainty of the form characterization results for a specific freeform surface measurement

Characterization of holding brake friction pad surface after pin-on-plate wear test

Science.gov (United States)

Drago, N.; Gonzalez Madruga, D.; De Chiffre, L.

2018-03-01

This article concerns the metrological characterization of the surface on a holding brake friction material pin after a pin-on-plate (POP) wear test. The POP test induces the formation of surface plateaus that affect brake performances such as wear, friction, noise and heat. Three different materials’ surfaces have been characterized after wear from data obtained with a focus variation 3D microscope. A new surface characterization approach with plateau identification is proposed, using the number of plateau on the surface, equivalent diameter, length and breadth as measurands. The identification method is based on determining and imposing ISO 27158-2 lower plateau limit (LPL) in material probability curves; and on applying a combined criterion of height segmentation threshold and equivalent diameter threshold. The method determines the criterion thresholds for each material since LPL appears typical by material. The proposed method has allowed quantifying the surface topography at two different levels of wear. An expanded measurement uncertainty of 3.5 µm for plateau dimensions in the range 50–2000 µm and one of 0.15 µm for plateau heights up to 10 µm have been documented.

Characterizing the effects of regolith surface roughness on photoemission from surfaces in space

Science.gov (United States)

Dove, A.; Horanyi, M.; Wang, X.

2017-12-01

Surfaces of airless bodies and spacecraft in space are exposed to a variety of charging environments. A balance of currents due to plasma bombardment, photoemission, electron and ion emission and collection, and secondary electron emission determines the surface's charge. Photoelectron emission is the dominant charging process on sunlit surfaces in the inner solar system due to the intense solar UV radiation. This can result in a net positive surface potential, with a cloud of photoelectrons immediately above the surface, called the photoelectron sheath. Conversely, the unlit side of the body will charge negatively due the collection of the fast-moving solar wind electrons. The interaction of charged dust grains with these positively and negatively charged surfaces, and within the photoelectron and plasma sheaths may explain the occurrence of dust lofting, levitation and transport above the lunar surface. The surface potential of exposed objects is also dependent on the material properties of their surfaces. Composition and particle size primarily affect the quantum efficiency of photoelectron generation; however, surface roughness can also control the charging process. In order to characterize these effects, we have conducted laboratory experiments to examine the role of surface roughness in generating photoelectrons in dedicated laboratory experiments using solid and dusty surfaces of the same composition (CeO2), and initial comparisons with JSC-1 lunar simulant. Using Langmuir probe measurements, we explore the measured potentials above insulating surfaces exposed to UV and an electric field, and we show that the photoemission current from a dusty surface is largely reduced due to its higher surface roughness, which causes a significant fraction of the emitted photoelectrons to be re-absorbed within the surface. We will discuss these results in context of similar situations on planetary surfaces.

3D scanning electron microscopy applied to surface characterization of fluorosed dental enamel.

Science.gov (United States)

Limandri, Silvina; Galván Josa, Víctor; Valentinuzzi, María Cecilia; Chena, María Emilia; Castellano, Gustavo

2016-05-01

The enamel surfaces of fluorotic teeth were studied by scanning electron stereomicroscopy. Different whitening treatments were applied to 25 pieces to remove stains caused by fluorosis and their surfaces were characterized by stereomicroscopy in order to obtain functional and amplitude parameters. The topographic features resulting for each treatment were determined through these parameters. The results obtained show that the 3D reconstruction achieved from the SEM stereo pairs is a valuable potential alternative for the surface characterization of this kind of samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

Relationship Between Ocular Surface Disease Index, Dry Eye Tests, and Demographic Properties in Computer Users

Directory of Open Access Journals (Sweden)

Hüseyin Simavlı

2014-03-01

Full Text Available Objectives: The aim of the present study is to evaluate the ocular surface disease index (OSDI in computer users and to investigate the correlations of this index with dry eye tests and demographic properties. Materials and Methods: In this prospective study, 178 subjects with an age range of 20-40 years and who spent most of their daily life in front of the computers were included. All participants underwent a complete ophthalmologic examination including basal secretion test, tear break-up time test, and ocular surface staining. In addition, all patients completed the OSDI questionnaire. Results: A total of 178 volunteers (101 female, 77 male with a mean age of 28.8±4.5 years were included in the study. Mean time of computer use was 7.7±1.9 (5-14 hours/day, and mean computer use period was 71.1±39.7 (4-204 months. Mean OSDI score was 44.1±24.7 (0-100. There was a significant negative correlation between the OSDI score and tear break-up time test in the right (p=0.005 r=-0.21 and the left eyes (p=0.003 r=-0.22. There was a significant positive correlation between the OSDI score and gender (p=0.014 r=0.18 and daily computer usage time (p=0.008 r=0.2. In addition to this, there was a significant positive correlation between the OSDI score and ocular surface staining pattern in the right (p=0.03 r=0.16 and the left eyes (p=0.03 r=0.17. Age, smoking, type of computer, use of glasses, presence of symptoms, and basal secretion test were not found to be correlated with OSDI score. Conclusions: Long-term computer use causes ocular surface problems. The OSDI were found to be correlated with tear break-up time test, gender, daily computer usage time, and ocular surface staining pattern in computer users. (Turk J Ophthalmol 2014; 44: 115-8

Fast Characterization of Moving Samples with Nano-Textured Surfaces

DEFF Research Database (Denmark)

Madsen, Morten Hannibal; Hansen, Poul-Erik; Zalkovskij, Maksim

2015-01-01

Characterization of structures using conventional optical microscopy is restricted by the diffraction limit. Techniques like atomic force and scanning electron microscopy can investigate smaller structures but are very time consuming. We show that using scatterometry, a technique based on optical...... diffraction, integrated into a commercial light microscope we can characterize nano-textured surfaces in a few milliseconds. The adapted microscope has two detectors, a CCD camera used to easily find an area of interest and a spectrometer for the measurements. We demonstrate that the microscope has...

Structure analysis of Pd(1 1 0) surface by computer simulation of NAACO's

International Nuclear Information System (INIS)

Takeuchi, Wataru; Yamamura, Yasunori

2001-01-01

The relaxation at a Pd(1 1 0) surface has been estimated using the computer simulation of 165 deg. neutral impact-collision ion scattering spectroscopy (NICISS). The computer simulations employing ACOCT program code treated three-dimensionally the atomic collisions and based on the binary collision approximation (BCA) were performed for the case of 2.08 keV Ne + ions incident along the [1 1-bar 2] azimuth of the Pd(1 1 0) surface. The experimental results of Speller et al. (Surf. Sci. 383 (1997) 131) are well reproduced by the ACOCT simulations including the inward relaxation of 14% of the first interlayer spacing and including the vertical component of surface Debye temperature of 125 K

Characterizing the statistical properties of protein surfaces

Science.gov (United States)

Bak, Ji Hyun; Bitbol, Anne-Florence; Bialek, William

Proteins and their interactions form the body of the signaling transduction pathway in many living systems. In order to ensure the accuracy as well as the specificity of signaling, it is crucial that proteins recognize their correct interaction partners. How difficult, then, is it for a protein to discriminate its correct interaction partner(s) from the possibly large set of other proteins it may encounter in the cell? An important ingredient of recognition is shape complementarity. The ensemble of protein shapes should be constrained by the need for maintaining functional interactions while avoiding spurious ones. To address this aspect of protein recognition, we consider the ensemble of proteins in terms of the shapes of their surfaces. We take into account the high-resolution structures of E.coli non-DNA-binding cytoplasmic proteins, retrieved from the Protein Data Bank. We aim to characterize the statistical properties of the protein surfaces at two levels: First, we study the intrinsic dimensionality at the level of the ensemble of the surface objects. Second, at the level of the individual surfaces, we determine the scale of shape variation. We further discuss how the dimensionality of the shape space is linked to the statistical properties of individual protein surfaces. Jhb and WB acknowledge support from National Science Foundation Grants PHY-1305525 and PHY-1521553. AFB acknowledges support from the Human Frontier Science Program.

Rh-Based Mixed Alcohol Synthesis Catalysts: Characterization and Computational Report

Energy Technology Data Exchange (ETDEWEB)

Albrecht, Karl O.; Glezakou, Vassiliki Alexandra; Rousseau, Roger J.; Engelhard, Mark H.; Varga, Tamas; Colby, Robert J.; Jaffe, John E.; Li, Xiaohong S.; Mei, Donghai; Windisch, Charles F.; Kathmann, Shawn M.; Lemmon, Teresa L.; Gray, Michel J.; Hart, Todd R.; Thompson, Becky L.; Gerber, Mark A.

2013-08-01

The U.S. Department of Energy is conducting a program focused on developing a process for the conversion of biomass to bio-based fuels and co-products. Biomass-derived syngas is converted thermochemically within a temperature range of 240 to 330°C and at elevated pressure (e.g., 1200 psig) over a catalyst. Ethanol is the desired reaction product, although other side compounds are produced, including C3 to C5 alcohols; higher (i.e., greater than C1) oxygenates such as methyl acetate, ethyl acetate, acetic acid and acetaldehyde; and higher hydrocarbon gases such as methane, ethane/ethene, propane/propene, etc. Saturated hydrocarbon gases (especially methane) are undesirable because they represent a diminished yield of carbon to the desired ethanol product and represent compounds that must be steam reformed at high energy cost to reproduce CO and H2. Ethanol produced by the thermochemical reaction of syngas could be separated and blended directly with gasoline to produce a liquid transportation fuel. Additionally, higher oxygenates and unsaturated hydrocarbon side products such as olefins also could be further processed to liquid fuels. The goal of the current project is the development of a Rh-based catalyst with high activity and selectivity to C2+ oxygenates. This report chronicles an effort to characterize numerous supports and catalysts to identify particular traits that could be correlated with the most active and/or selective catalysts. Carbon and silica supports and catalysts were analyzed. Generally, analyses provided guidance in the selection of acceptable catalyst supports. For example, supports with high surface areas due to a high number of micropores were generally found to be poor at producing oxygenates, possibly because of mass transfer limitations of the products formed out of the micropores. To probe fundamental aspects of the complicated reaction network of CO with H2, a computational/ theoretical investigation using quantum mechanical and ab

Formation and surface characterization of nanostructured Al2O3 ...

Indian Academy of Sciences (India)

Administrator

Page 1. Electronic Supplementary Material. Graphical abstract. Formation and surface characterization of nanostructured Al2O3–TiO2 coatings by Vairamuthu Raj and Mohamed Sirajudeen Mumjitha. (pp 1411–1418).

Corrosion chemistry closing comments: opportunities in corrosion science facilitated by operando experimental characterization combined with multi-scale computational modelling.

Science.gov (United States)

Scully, John R

2015-01-01

Recent advances in characterization tools, computational capabilities, and theories have created opportunities for advancement in understanding of solid-fluid interfaces at the nanoscale in corroding metallic systems. The Faraday Discussion on Corrosion Chemistry in 2015 highlighted some of the current needs, gaps and opportunities in corrosion science. Themes were organized into several hierarchical categories that provide an organizational framework for corrosion. Opportunities to develop fundamental physical and chemical data which will enable further progress in thermodynamic and kinetic modelling of corrosion were discussed. These will enable new and better understanding of unit processes that govern corrosion at the nanoscale. Additional topics discussed included scales, films and oxides, fluid-surface and molecular-surface interactions, selected topics in corrosion science and engineering as well as corrosion control. Corrosion science and engineering topics included complex alloy dissolution, local corrosion, and modelling of specific corrosion processes that are made up of collections of temporally and spatially varying unit processes such as oxidation, ion transport, and competitive adsorption. Corrosion control and mitigation topics covered some new insights on coatings and inhibitors. Further advances in operando or in situ experimental characterization strategies at the nanoscale combined with computational modelling will enhance progress in the field, especially if coupling across length and time scales can be achieved incorporating the various phenomena encountered in corrosion. Readers are encouraged to not only to use this ad hoc organizational scheme to guide their immersion into the current opportunities in corrosion chemistry, but also to find value in the information presented in their own ways.

Surface characterization of adsorbed asphaltene on a stainless steel surface

International Nuclear Information System (INIS)

Abdallah, W.A.; Taylor, S.D.

2007-01-01

X-ray photoelectron spectroscopy was used to characterize a single layer of adsorbed asphaltene on a metallic surface. The deposits were created by immersing a stainless steel disc into a dilute asphaltene solution with either toluene or dichloromethane as the solvent, although the toluene solution allowed for better control of the adsorbed asphaltene layer and less atmospheric oxygen contamination. The analyses for C 1s, S 2p 3/2 , N 1s and O 1s photoemission peaks indicated that different functional groups are present in the asphaltene layer including carboxylic, pyrrolic, pyridininc, thiophenic and sulfite, with slight differences in their binding energies

Electrochemical characterization of organosilane-functionalized nanostructured ITO surfaces

Energy Technology Data Exchange (ETDEWEB)

Pruna, R., E-mail: rpruna@el.ub.edu; Palacio, F.; López, M. [SIC, Departament d' Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain); Pérez, J. [Nanobioengineering Group, Institute for Bioengineering of Catalonia (IBEC), Baldiri Reixac 15-21, E-08028 Barcelona (Spain); Mir, M. [Nanobioengineering Group, Institute for Bioengineering of Catalonia (IBEC), Baldiri Reixac 15-21, E-08028 Barcelona (Spain); Centro de Investigación Biomédica en Red en Bioingeniería, Biomateriales y Nanomedicina (CIBER-BBN), Monforte de Lemos 3-5 Pabellón 11, E-28029 Madrid (Spain); Blázquez, O.; Hernández, S.; Garrido, B. [MIND-IN" 2UB, Departament d' Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain)

2016-08-08

The electroactivity of nanostructured indium tin oxide (ITO) has been investigated for its further use in applications such as sensing biological compounds by the analysis of redox active molecules. ITO films were fabricated by using electron beam evaporation at different substrate temperatures and subsequently annealed for promoting their crystallization. The morphology of the deposited material was monitored by scanning electron microscopy, confirming the deposition of either thin films or nanowires, depending on the substrate temperature. Electrochemical surface characterization revealed a 45 % increase in the electroactive surface area of nanostructured ITO with respect to thin films, one third lower than the geometrical surface area variation determined by atomic force microscopy. ITO surfaces were functionalized with a model organic molecule known as 6-(ferrocenyl)hexanethiol. The chemical attachment was done by means of a glycidoxy compound containing a reactive epoxy group, the so-called 3-glycidoxypropyltrimethoxy-silane. ITO functionalization was useful for determining the benefits of nanostructuration on the surface coverage of active molecules. Compared to ITO thin films, an increase in the total peak height of 140 % was observed for as-deposited nanostructured electrodes, whereas the same measurement for annealed electrodes resulted in an increase of more than 400 %. These preliminary results demonstrate the ability of nanostructured ITO to increase the surface-to-volume ratio, conductivity and surface area functionalization, features that highly benefit the performance of biosensors.

Electrochemical characterization of organosilane-functionalized nanostructured ITO surfaces

International Nuclear Information System (INIS)

Pruna, R.; Palacio, F.; López, M.; Pérez, J.; Mir, M.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Blázquez, O.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Hernández, S.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Garrido, B.

2016-01-01

The electroactivity of nanostructured indium tin oxide (ITO) has been investigated for its further use in applications such as sensing biological compounds by the analysis of redox active molecules. ITO films were fabricated by using electron beam evaporation at different substrate temperatures and subsequently annealed for promoting their crystallization. The morphology of the deposited material was monitored by scanning electron microscopy, confirming the deposition of either thin films or nanowires, depending on the substrate temperature. Electrochemical surface characterization revealed a 45 % increase in the electroactive surface area of nanostructured ITO with respect to thin films, one third lower than the geometrical surface area variation determined by atomic force microscopy. ITO surfaces were functionalized with a model organic molecule known as 6-(ferrocenyl)hexanethiol. The chemical attachment was done by means of a glycidoxy compound containing a reactive epoxy group, the so-called 3-glycidoxypropyltrimethoxy-silane. ITO functionalization was useful for determining the benefits of nanostructuration on the surface coverage of active molecules. Compared to ITO thin films, an increase in the total peak height of 140 % was observed for as-deposited nanostructured electrodes, whereas the same measurement for annealed electrodes resulted in an increase of more than 400 %. These preliminary results demonstrate the ability of nanostructured ITO to increase the surface-to-volume ratio, conductivity and surface area functionalization, features that highly benefit the performance of biosensors.

Computer screen photo-excited surface plasmon resonance imaging.

Science.gov (United States)

Filippini, Daniel; Winquist, Fredrik; Lundström, Ingemar

2008-09-12

Angle and spectra resolved surface plasmon resonance (SPR) images of gold and silver thin films with protein deposits is demonstrated using a regular computer screen as light source and a web camera as detector. The screen provides multiple-angle illumination, p-polarized light and controlled spectral radiances to excite surface plasmons in a Kretchmann configuration. A model of the SPR reflectances incorporating the particularities of the source and detector explain the observed signals and the generation of distinctive SPR landscapes is demonstrated. The sensitivity and resolution of the method, determined in air and solution, are 0.145 nm pixel(-1), 0.523 nm, 5.13x10(-3) RIU degree(-1) and 6.014x10(-4) RIU, respectively, encouraging results at this proof of concept stage and considering the ubiquity of the instrumentation.

Characterization of triboelectrically charged particles deposited on dielectric surfaces

Science.gov (United States)

Nesterov, A.; Löffler, F.; Cheng, Yun-Chien; Torralba, G.; König, K.; Hausmann, M.; Lindenstruth, V.; Stadler, V.; Bischoff, F. R.; Breitling, F.

2010-04-01

A device for the measurement of q/m-values and charge degradation of triboelectrically charged particles deposited on a surface was developed. The setup is based on the integration of currents, which are induced in a Faraday cage by insertion of a solid support covered with charged particles. The conductivity of different particle supports was taken into account. The 'blow-off' method, in which the particles are first deposited, and then blown off using an air stream, can be used for characterization of triboelectric properties of particles relative to different surfaces.

Characterization of triboelectrically charged particles deposited on dielectric surfaces

Energy Technology Data Exchange (ETDEWEB)

Nesterov, A; Torralba, G; Hausmann, M; Lindenstruth, V [Kirchhoff Institute of Physics, In Neuenheimer Feld 227, Heidelberg (Germany); Loeffler, F; Cheng, Yun-Chien; Koenig, K; Stadler, V; Bischoff, F R [German Cancer Research Centre, In Neuenheimer Feld 280, Heidelberg (Germany); Breitling, F, E-mail: Frank.Breitling@KIT.ed, E-mail: alexander.nesterov-mueller@kit.ed [Karlsruhe Institute of Technology (KIT), Institute for Microstructure Technology, Herrmann von Helmholtzplatz 1, 76344 Eggenstein-Leopoldshafen (Germany)

2010-04-28

A device for the measurement of q/m-values and charge degradation of triboelectrically charged particles deposited on a surface was developed. The setup is based on the integration of currents, which are induced in a Faraday cage by insertion of a solid support covered with charged particles. The conductivity of different particle supports was taken into account. The 'blow-off' method, in which the particles are first deposited, and then blown off using an air stream, can be used for characterization of triboelectric properties of particles relative to different surfaces.

Particle desorption mass spectrometric surface characterization

International Nuclear Information System (INIS)

Summers, W.R.

1986-01-01

The feasibility of utilizing 252 Cf-Particle Desorption Mass Spectrometry (PDMS) to characterize the surface region of solid samples has been evaluated. The PDMS experiment was adapted to an ultrahigh vacuum (UHV) environment and was configured so as to allow the analysis of thick as well as thin samples. This apparatus included an in situ sputter cleaning/depth profiling facility. The mass resolution was variable from 300 to 200 at 133 daltons by changing the drift length from 27 cm to 20 cm. Desorbed ions were focused by using either a dual grid assembly or an einzel lens. The overall instrumental transmission efficiency with the einzel lens operative was approximately 50%. The applicability of 252 Cf-PDMS to samples that were thick and insulating was demonstrated in the analysis of geological specimens. Pollucite, Microcline, Amblygonite, and Lepidolite were analyzed without complications associated with sample thickness or charge accumulation. Substitution occurring between the alkali metals in the environment was observed by PDMS and was corroborated by SIMS, XPS, and EMP analyses. The analysis of NBM SRM glasses addressed the suitability of combining the PDMS technique was sputter etching. This application demonstrated the ability of this technique to sense changes in the chemical environment brought about by sputter cleaning. The analysis of these samples also allowed the estimation of detection limits for lithium, rubidium, and cesium in a glass matrix as 300 ppm, 400 ppm, and 400 ppm, respectively. Sputter depth profiling combined with 252 Cf-PDMS analysis of an aluminum layer on a silicon substrate established the utility of the PDMS technique in surface characterization

NEXAFS characterization of DNA components and molecular-orientation of surface-bound DNA oligomers

International Nuclear Information System (INIS)

Samuel, Newton T.; Lee, C.-Y.; Gamble, Lara J.; Fischer, Daniel A.; Castner, David G.

2006-01-01

Single stranded DNA oligomers (ssDNA) immobilized onto solid surfaces forms the basis for several biotechnological applications such as DNA microarrays, affinity separations, and biosensors. Surface structure of Surface-bound oligomers is expected to significantly influence their biological activity and interactions with the environment. In this study near-edge X-ray absorption fine structure spectroscopy (NEXAFS) is used to characterize the components of DNA (nucleobases, nucleotides and nucleosides) and the orientation information of surface-bound ssDNA. The K-edges of carbon, nitrogen and oxygen have spectra with features that are characteristic of the different chemical species present in the nucleobases of DNA. The effect of addition of the DNA sugar and phosphate components on the NEXAFS K-edge spectra was also investigated. The polarization-dependent nitrogen K-edge NEXAFS data show significant changes for different orientations of surface bound ssDNA. These results establish NEXAFS as a powerful technique for chemical and structural characterization of surface-bound DNA oligomers

Surface characterization of modern resin composites: a multitechnique approach.

Science.gov (United States)

Silikas, Nick; Kavvadia, Katerina; Eliades, George; Watts, David

2005-04-01

To characterize the surface properties of some modern resin composites employing a series of physicochemical methods. Specimens from three microhybrid (Palfique Estellite-PE, Z250 Filtek-ZF, Tetric Ceram-TC) and one nanofilled (Supreme Filtek-SF) conventionally photo-cured resin composites polished with Soflex disks were studied for the following properties: Surface chemical composition and degree of C=C conversion (FTIR), surface energetics (contact angles), surface texture (AFM), surface roughness (AFM, stylus profilometry) and gloss (60 degrees-, 20 degrees-angle specular gloss). Polar and non polar molecular groups were identified in all products including NH and CONH (SF, ZF, TC). SF and ZF demonstrated higher conversion than PE and TC (P 0.05) were found in critical surface tension, total work of adhesion and its polar and dispersion components, the latter being the highest in all products. AFM showed the smoothest surface texture in PE. The ranking of Sa, Sq, Ra and Rz roughness parameters was PEgloss measurements (PE, SF>ZF>TC, PTC, Pgloss differences. A positive correlation was found between Sa and Ra and a negative one between Sa and 20 degree-angle gloss.

Characterization of cell mechanical properties by computational modeling of parallel plate compression.

Science.gov (United States)

McGarry, J P

2009-11-01

A substantial body of work has been reported in which the mechanical properties of adherent cells were characterized using compression testing in tandem with computational modeling. However, a number of important issues remain to be addressed. In the current study, using computational analyses, the effect of cell compressibility on the force required to deform spread cells is investigated and the possibility that stiffening of the cell cytoplasm occurs during spreading is examined based on published experimental compression test data. The effect of viscoelasticity on cell compression is considered and difficulties in performing a complete characterization of the viscoelastic properties of a cell nucleus and cytoplasm by this method are highlighted. Finally, a non-linear force-deformation response is simulated using differing linear viscoelastic properties for the cell nucleus and the cell cytoplasm.

Global characterization of surface soil moisture drydowns

Science.gov (United States)

McColl, Kaighin A.; Wang, Wei; Peng, Bin; Akbar, Ruzbeh; Short Gianotti, Daniel J.; Lu, Hui; Pan, Ming; Entekhabi, Dara

2017-04-01

Loss terms in the land water budget (including drainage, runoff, and evapotranspiration) are encoded in the shape of soil moisture "drydowns": the soil moisture time series directly following a precipitation event, during which the infiltration input is zero. The rate at which drydowns occur—here characterized by the exponential decay time scale τ—is directly related to the shape of the loss function and is a key characteristic of global weather and climate models. In this study, we use 1 year of surface soil moisture observations from NASA's Soil Moisture Active Passive mission to characterize τ globally. Consistent with physical reasoning, the observations show that τ is lower in regions with sandier soils, and in regions that are more arid. To our knowledge, these are the first global estimates of τ—based on observations alone—at scales relevant to weather and climate models.

Identification and characterization of the surface proteins of Clostridium difficile

International Nuclear Information System (INIS)

Dailey, D.C.

1988-01-01

Several clostridial proteins were detected on the clostridial cell surface by sensitive radioiodination techniques. Two major proteins and six minor proteins comprised the radioiodinated proteins on the clostridial cell surface. Cellular fractionation of surface radiolabeled C. difficile determined that the radioiodinated proteins were found in the cell wall fraction of C. difficile and surprisingly were also present in the clostridial membrane. Furthermore, an interesting phenomenon of disulfide-crosslinking of the cell surface proteins of C. difficile was observed. Disulfide-linked protein complexes were found in both the membrane and cell wall fractions. In addition, the cell surface proteins of C. difficile were found to be released into the culture medium. In attempts to further characterize the clostridial proteins recombinant DNA techniques were employed. In addition, the role of the clostridial cell surface proteins in the interactions of C. difficile with human PMNs was also investigated

Surface characterization

Science.gov (United States)

Mandla A. Tshabalala

2005-01-01

Surface properties of wood play an important role when wood is used or processed into different commodities such as siding, joinery, textiles, paper, sorption media or wood composites. Thus, for example, the quality and durability of a wood coating are determined by the surface properties of the wood and the coating. The same is true for wood composites, as the...

Computer studies of surface structure of NiAl(111)

International Nuclear Information System (INIS)

Takeuchi, Wataru; Yamamura, Yasunori

1994-01-01

The 180 neutral impact-collision ion scattering spectroscopy (NICISS) data have been analyzed using the ACOCT program code based on the binary collision approximation (BCA). The computer simulations are performed for the case of 2 keV He + ions incident along the [ anti 12 anti 1] direction of a NiAl(111) surface. It is found that the experimental results are well reproduced by the ACOCT simulations including the inward relaxation of 40% of the first interlayer spacing on Ni terminated layer at the NiAl(111) surface and including the Moliere approximation of the Thomas-Fermi potential with a reduced Firsov screening length, multiplied by a factor of 0.60. (orig.)

Wavelet-fractal approach to surface characterization of nanocrystalline ITO thin films

International Nuclear Information System (INIS)

Raoufi, Davood; Kalali, Zahra

2012-01-01

In this study, indium tin oxide (ITO) thin films were prepared by electron beam deposition method on glass substrates at room temperature (RT). Surface morphology characterization of ITO thin films, before and after annealing at 500 °C, were investigated by analyzing the surface profile of atomic force microscopy (AFM) images using wavelet transform formalism. The wavelet coefficients related to the thin film surface profiles have been calculated, and then roughness exponent (α) of the films has been estimated using the scalegram method. The results reveal that the surface profiles of the films before and after annealing process have self-affine nature.

Surface characterization of nickel titanium orthodontic arch wires

Science.gov (United States)

Krishnan, Manu; Seema, Saraswathy; Tiwari, Brijesh; Sharma, Himanshu S.; Londhe, Sanjay; Arora, Vimal

2015-01-01

Background Surface roughness of nickel titanium orthodontic arch wires poses several clinical challenges. Surface modification with aesthetic/metallic/non metallic materials is therefore a recent innovation, with clinical efficacy yet to be comprehensively evaluated. Methods One conventional and five types of surface modified nickel titanium arch wires were surface characterized with scanning electron microscopy, energy dispersive analysis, Raman spectroscopy, Atomic force microscopy and 3D profilometry. Root mean square roughness values were analyzed by one way analysis of variance and post hoc Duncan's multiple range tests. Results Study groups demonstrated considerable reduction in roughness values from conventional in a material specific pattern: Group I; conventional (578.56 nm) > Group V; Teflon (365.33 nm) > Group III; nitride (301.51 nm) > Group VI (i); rhodium (290.64 nm) > Group VI (ii); silver (252.22 nm) > Group IV; titanium (229.51 nm) > Group II; resin (158.60 nm). It also showed the defects with aesthetic (resin/Teflon) and nitride surfaces and smooth topography achieved with metals; titanium/silver/rhodium. Conclusions Resin, Teflon, titanium, silver, rhodium and nitrides were effective in decreasing surface roughness of nickel titanium arch wires albeit; certain flaws. Findings have clinical implications, considering their potential in lessening biofilm adhesion, reducing friction, improving corrosion resistance and preventing nickel leach and allergic reactions. PMID:26843749

Computer simulation of biomolecule–biomaterial interactions at surfaces and interfaces

International Nuclear Information System (INIS)

Wang, Qun; Wang, Meng-hao; Lu, Xiong; Wang, Ke-feng; Zhang, Xing-dong; Liu, Yaling; Zhang, Hong-ping

2015-01-01

Biomaterial surfaces and interfaces are intrinsically complicated systems because they involve biomolecules, implanted biomaterials, and complex biological environments. It is difficult to understand the interaction mechanism between biomaterials and biomolecules through conventional experimental methods. Computer simulation is an effective way to study the interaction mechanism at the atomic and molecular levels. In this review, we summarized the recent studies on the interaction behaviors of biomolecules with three types of the most widely used biomaterials: hydroxyapatite (HA), titanium oxide (TiO 2 ), and graphene(G)/graphene oxide(GO). The effects of crystal forms, crystallographic planes, surface defects, doping atoms, and water environments on biomolecules adsorption are discussed in detail. This review provides valuable theoretical guidance for biomaterial designing and surface modification. (topical review)

VASCo: computation and visualization of annotated protein surface contacts

Directory of Open Access Journals (Sweden)

Thallinger Gerhard G

2009-01-01

Full Text Available Abstract Background Structural data from crystallographic analyses contain a vast amount of information on protein-protein contacts. Knowledge on protein-protein interactions is essential for understanding many processes in living cells. The methods to investigate these interactions range from genetics to biophysics, crystallography, bioinformatics and computer modeling. Also crystal contact information can be useful to understand biologically relevant protein oligomerisation as they rely in principle on the same physico-chemical interaction forces. Visualization of crystal and biological contact data including different surface properties can help to analyse protein-protein interactions. Results VASCo is a program package for the calculation of protein surface properties and the visualization of annotated surfaces. Special emphasis is laid on protein-protein interactions, which are calculated based on surface point distances. The same approach is used to compare surfaces of two aligned molecules. Molecular properties such as electrostatic potential or hydrophobicity are mapped onto these surface points. Molecular surfaces and the corresponding properties are calculated using well established programs integrated into the package, as well as using custom developed programs. The modular package can easily be extended to include new properties for annotation. The output of the program is most conveniently displayed in PyMOL using a custom-made plug-in. Conclusion VASCo supplements other available protein contact visualisation tools and provides additional information on biological interactions as well as on crystal contacts. The tool provides a unique feature to compare surfaces of two aligned molecules based on point distances and thereby facilitates the visualization and analysis of surface differences.

A computational ab initio study of surface diffusion of sulfur on the CdTe (111) surface

Energy Technology Data Exchange (ETDEWEB)

Naderi, Ebadollah, E-mail: enaderi42@gmail.com [Department of Physics, Savitribai Phule Pune University (SPPU), Pune-411007 (India); Ghaisas, S. V. [Department of Electronic Science, Savitribai Phule Pune University (SPPU), Pune-411007 (India)

2016-08-15

In order to discern the formation of epitaxial growth of CdS shell over CdTe nanocrystals, kinetics related to the initial stages of the growth of CdS on CdTe is investigated using ab-initio methods. We report diffusion of sulfur adatom on the CdTe (111) A-type (Cd-terminated) and B-type (Te-terminated) surfaces within the density functional theory (DFT). The barriers are computed by applying the climbing Nudge Elastic Band (c-NEB) method. From the results surface hopping emerges as the major mode of diffusion. In addition, there is a distinct contribution from kick-out type diffusion in which a CdTe surface atom is kicked out from its position and is replaced by the diffusing sulfur atom. Also, surface vacancy substitution contributes to the concomitant dynamics. There are sites on the B- type surface that are competitively close in terms of the binding energy to the lowest energy site of epitaxy on the surface. The kick-out process is more likely for B-type surface where a Te atom of the surface is displaced by a sulfur adatom. Further, on the B-type surface, subsurface migration of sulfur is indicated. Furthermore, the binding energies of S on CdTe reveal that on the A-type surface, epitaxial sites provide relatively higher binding energies and barriers than on B-type.

A computational ab initio study of surface diffusion of sulfur on the CdTe (111) surface

Science.gov (United States)

Naderi, Ebadollah; Ghaisas, S. V.

2016-08-01

In order to discern the formation of epitaxial growth of CdS shell over CdTe nanocrystals, kinetics related to the initial stages of the growth of CdS on CdTe is investigated using ab-initio methods. We report diffusion of sulfur adatom on the CdTe (111) A-type (Cd-terminated) and B-type (Te-terminated) surfaces within the density functional theory (DFT). The barriers are computed by applying the climbing Nudge Elastic Band (c-NEB) method. From the results surface hopping emerges as the major mode of diffusion. In addition, there is a distinct contribution from kick-out type diffusion in which a CdTe surface atom is kicked out from its position and is replaced by the diffusing sulfur atom. Also, surface vacancy substitution contributes to the concomitant dynamics. There are sites on the B- type surface that are competitively close in terms of the binding energy to the lowest energy site of epitaxy on the surface. The kick-out process is more likely for B-type surface where a Te atom of the surface is displaced by a sulfur adatom. Further, on the B-type surface, subsurface migration of sulfur is indicated. Furthermore, the binding energies of S on CdTe reveal that on the A-type surface, epitaxial sites provide relatively higher binding energies and barriers than on B-type.

A computational ab initio study of surface diffusion of sulfur on the CdTe (111) surface

International Nuclear Information System (INIS)

Naderi, Ebadollah; Ghaisas, S. V.

2016-01-01

In order to discern the formation of epitaxial growth of CdS shell over CdTe nanocrystals, kinetics related to the initial stages of the growth of CdS on CdTe is investigated using ab-initio methods. We report diffusion of sulfur adatom on the CdTe (111) A-type (Cd-terminated) and B-type (Te-terminated) surfaces within the density functional theory (DFT). The barriers are computed by applying the climbing Nudge Elastic Band (c-NEB) method. From the results surface hopping emerges as the major mode of diffusion. In addition, there is a distinct contribution from kick-out type diffusion in which a CdTe surface atom is kicked out from its position and is replaced by the diffusing sulfur atom. Also, surface vacancy substitution contributes to the concomitant dynamics. There are sites on the B- type surface that are competitively close in terms of the binding energy to the lowest energy site of epitaxy on the surface. The kick-out process is more likely for B-type surface where a Te atom of the surface is displaced by a sulfur adatom. Further, on the B-type surface, subsurface migration of sulfur is indicated. Furthermore, the binding energies of S on CdTe reveal that on the A-type surface, epitaxial sites provide relatively higher binding energies and barriers than on B-type.

Descriptive and Computer Aided Drawing Perspective on an Unfolded Polyhedral Projection Surface

Science.gov (United States)

Dzwierzynska, Jolanta

2017-10-01

The aim of the herby study is to develop a method of direct and practical mapping of perspective on an unfolded prism polyhedral projection surface. The considered perspective representation is a rectilinear central projection onto a surface composed of several flat elements. In the paper two descriptive methods of drawing perspective are presented: direct and indirect. The graphical mapping of the effects of the representation is realized directly on the unfolded flat projection surface. That is due to the projective and graphical connection between points displayed on the polyhedral background and their counterparts received on the unfolded flat surface. For a significant improvement of the construction of line, analytical algorithms are formulated. They draw a perspective image of a segment of line passing through two different points determined by their coordinates in a spatial coordinate system of axis x, y, z. Compared to other perspective construction methods that use information about points, for computer vision and the computer aided design, our algorithms utilize data about lines, which are applied very often in architectural forms. Possibility of drawing lines in the considered perspective enables drawing an edge perspective image of an architectural object. The application of the changeable base elements of perspective as a horizon height and a station point location enable drawing perspective image from different viewing positions. The analytical algorithms for drawing perspective images are formulated in Mathcad software, however, they can be implemented in the majority of computer graphical packages, which can make drawing perspective more efficient and easier. The representation presented in the paper and the way of its direct mapping on the flat unfolded projection surface can find application in presentation of architectural space in advertisement and art.

Characterization of electrochemically modified polycrystalline platinum surfaces

Energy Technology Data Exchange (ETDEWEB)

Krebs, L.C.; Ishida, Takanobu.

1991-12-01

The characterization of electrochemically modified polycrystalline platinum surfaces has been accomplished through the use of four major electrochemical techniques. These were chronoamperometry, chronopotentiommetry, cyclic voltammetry, and linear sweep voltammetry. A systematic study on the under-potential deposition of several transition metals has been performed. The most interesting of these were: Ag, Cu, Cd, and Pb. It was determined, by subjecting the platinum electrode surface to a single potential scan between {minus}0.24 and +1.25 V{sub SCE} while stirring the solution, that the electrocatalytic activity would be regenerated. As a consequence of this study, a much simpler method for producing ultra high purity water from acidic permanganate has been developed. This method results in water that surpasses the water produced by pyrocatalytic distillation. It has also been seen that the wettability of polycrystalline platinum surfaces is greatly dependent on the quantity of oxide present. Oxide-free platinum is hydrophobic and gives a contact angle in the range of 55 to 62 degrees. We have also modified polycrystalline platinum surface with the electrically conducting polymer poly-{rho}-phenylene. This polymer is very stable in dilute sulfuric acid solutions, even under applied oxidative potentials. It is also highly resistant to electrochemical hydrogenation. The wettability of the polymer modified platinum surface is severely dependent on the choice of supporting electrolyte chosen for the electrochemical polymerization. Tetraethylammonium tetrafluoroborate produces a film that is as hydrophobic as Teflon, whereas tetraethylammonium perchlorate produces a film that is more hydrophilic than oxide-free platinum.

Characterization of electrochemically modified polycrystalline platinum surfaces

Energy Technology Data Exchange (ETDEWEB)

Krebs, Leonard C. [State Univ. of New York (SUNY), Stony Brook, NY (United States); Ishida, Takanobu [State Univ. of New York (SUNY), Stony Brook, NY (United States)

1991-12-01

The characterization of electrochemically modified polycrystalline platinum surfaces has been accomplished through the use of four major electrochemical techniques. These were chronoamperometry, chronopotentiommetry, cyclic voltammetry, and linear sweep voltammetry. A systematic study on the under-potential deposition of several transition metals has been performed. The most interesting of these were: Ag, Cu, Cd, and Pb. It was determined, by subjecting the platinum electrode surface to a single potential scan between -0.24 and +1.25 V_SCE while stirring the solution, that the electrocatalytic activity would be regenerated. As a consequence of this study, a much simpler method for producing ultra high purity water from acidic permanganate has been developed. This method results in water that surpasses the water produced by pyrocatalytic distillation. It has also been seen that the wettability of polycrystalline platinum surfaces is greatly dependent on the quantity of oxide present. Oxide-free platinum is hydrophobic and gives a contact angle in the range of 55 to 62 degrees. We have also modified polycrystalline platinum surface with the electrically conducting polymer poly-ρ-phenylene. This polymer is very stable in dilute sulfuric acid solutions, even under applied oxidative potentials. It is also highly resistant to electrochemical hydrogenation. The wettability of the polymer modified platinum surface is severely dependent on the choice of supporting electrolyte chosen for the electrochemical polymerization. Tetraethylammonium tetrafluoroborate produces a film that is as hydrophobic as Teflon, whereas tetraethylammonium perchlorate produces a film that is more hydrophilic than oxide-free platinum.

Surface and electrochemical characterization of electrodeposited PtRu alloys

Science.gov (United States)

Richarz, Frank; Wohlmann, Bernd; Vogel, Ulrich; Hoffschulz, Henning; Wandelt, Klaus

1995-07-01

PtRu alloys of different compositions were electrodeposited on Au. Twelve alloys between 0% and 100% Pt were characterized with surface sensitive spectroscopies (XPS, LEIS) after transfer from an electrochemical cell to an ultra high vaccum chamber without contact to air. The composition of the thus prepared alloys showed a linear dependence on the concentrations of the deposition solution, but was Pt-enriched both in the bulk and (even more so) at the surface. During the electrochemical reduction of the metal cations, sulfur from the supporting electrolyte 1N H 2SO 4 was found to be incorporated into the electrodes. Cyclic voltammetry was used for the determination of the electrocatalytic activity of the electrodes for the oxidation of carbon monoxide. The highest activity for this oxidation as measured by the (peak) potential of the CO oxidation cyclovoltammograms was found for a surface concentration of ˜ 50%Pt. The asymmetry of this "activity curve" (oxidation potential versus Pt surface concentration) is tentatively explained in terms of a surface structural phase separation.

Development of computational technique for labeling magnetic flux-surfaces

International Nuclear Information System (INIS)

Nunami, Masanori; Kanno, Ryutaro; Satake, Shinsuke; Hayashi, Takaya; Takamaru, Hisanori

2006-03-01

In recent Large Helical Device (LHD) experiments, radial profiles of ion temperature, electric field, etc. are measured in the m/n=1/1 magnetic island produced by island control coils, where m is the poloidal mode number and n the toroidal mode number. When the transport of the plasma in the radial profiles is numerically analyzed, an average over a magnetic flux-surface in the island is a very useful concept to understand the transport. On averaging, a proper labeling of the flux-surfaces is necessary. In general, it is not easy to label the flux-surfaces in the magnetic field with the island, compared with the case of a magnetic field configuration having nested flux-surfaces. In the present paper, we have developed a new computational technique to label the magnetic flux-surfaces. This technique is constructed by using an optimization algorithm, which is known as an optimization method called the simulated annealing method. The flux-surfaces are discerned by using two labels: one is classification of the magnetic field structure, i.e., core, island, ergodic, and outside regions, and the other is a value of the toroidal magnetic flux. We have applied the technique to an LHD configuration with the m/n=1/1 island, and successfully obtained the discrimination of the magnetic field structure. (author)

Characterization of breast tissue using energy-dispersive X-ray diffraction computed tomography

International Nuclear Information System (INIS)

Pani, S.; Cook, E.J.; Horrocks, J.A.; Jones, J.L.; Speller, R.D.

2010-01-01

A method for sample characterization using energy-dispersive X-ray diffraction computed tomography (EDXRDCT) is presented. The procedures for extracting diffraction patterns from the data and the corrections applied are discussed. The procedures were applied to the characterization of breast tissue samples, 6 mm in diameter. Comparison with histological sections of the samples confirmed the possibility of grouping the patterns into five families, corresponding to adipose tissue, fibrosis, poorly differentiated cancer, well differentiated cancer and benign tumour.

Surface characterization and stability of an epoxy resin surface modified with polyamines grafted on polydopamine

Energy Technology Data Exchange (ETDEWEB)

Schaubroeck, David, E-mail: David.Schaubroeck@elis.ugent.be [Center for Microsystems Technology (CMST), imec and Ghent University, Technologiepark 914A, B-9052 Ghent (Belgium); Vercammen, Yannick; Van Vaeck, Luc [Biomolecular and Analytical Mass Spectrometry, University of Antwerp, Universiteitsplein 1, B-2610 Wilrijk (Belgium); Vanderleyden, Els; Dubruel, Peter [Polymer Chemistry and Biomaterials Research Group, Ghent University, Krijgslaan 281 S4 bis, B-9000 Ghent (Belgium); Vanfleteren, Jan [Center for Microsystems Technology (CMST), imec and Ghent University, Technologiepark 914A, B-9052 Ghent (Belgium)

2014-06-01

This paper reports on polydopamine and polyamine surface modifications of an etched epoxy cresol novolac (ECN) resin using the ‘grafting to’ method. Three different polyamines are used for the grafting reactions: branched polyethyleneimine (B-PEI), linear polyethyleneimine (L-PEI) and diethylenetriamine (DETA). These modifications are compared to control materials prepared via direct deposition of polyamines. The stability of the modifications toward a concentrated hydrochloric acid (HCl) environment is evaluated. The modified surfaces are characterized with scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and time-of-flight static secondary ion mass spectroscopy (TOF-S-SIMS).

Characterization of Modified and Polymer Coated Alumina Surfaces by Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Ashraf Yehia El-Naggar

2013-01-01

Full Text Available The prepared, modified, and coated alumina surfaces were characterized by infrared spectroscopy (FTIR to investigate the surface properties of the individual and double modified samples. FTIR helps in reporting the changes occurred in hydroxyl groups as well as the structure changes as a result of thermal treating, hydrothermal treating, silylation treating, alkali metal treating, coating, and bonding with polymer. FTIR spectroscopy represents the strength and abundance of surface acidic OH which determine the adsorption properties of polar and nonpolar sorbents. Generally, all treated samples exhibit decrease of OH groups compared with those of parent ones producing alumina surfaces of different adsorptive powers.

Advanced approaches to characterize the human intestinal microbiota by computational meta-analysis

NARCIS (Netherlands)

Nikkilä, J.; Vos, de W.M.

2010-01-01

GOALS: We describe advanced approaches for the computational meta-analysis of a collection of independent studies, including over 1000 phylogenetic array datasets, as a means to characterize the variability of human intestinal microbiota. BACKGROUND: The human intestinal microbiota is a complex

Surface modification and characterization of magnesium hydroxide sulfate hydrate nanowhiskers

Energy Technology Data Exchange (ETDEWEB)

Gao Chuanhui [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, Qingdao 266100 (China); Li Xianguo, E-mail: chuanhuigao@foxmail.com [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, Qingdao 266100 (China); Feng Lijuan; Lu Shaoyan; Liu Jinyan [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, Qingdao 266100 (China)

2010-03-01

In order to enhance the compatibility with plastic polymers, magnesium hydroxide sulfate hydrate (MHSH) nanowhiskers were modified through grafting methyl methacrylate (MMA) on the surface of the nanowhiskers by emulsion polymerization. The influences of the reaction time, MMA monomer content, adding speed of monomer and the reaction temperature on the grafting ratio were investigated. Thermogravimetry (TG), Fourier transform infrared (FT-IR) spectroscopy, X-ray powder diffraction (XRD), scanning electron microscope (SEM), energy-dispersive X-ray (EDX) spectroscopy and surface contact angle measurement were used to characterize the effect of surface modification. The results showed that the MHSH nanowhiskers were uniformly coated by polymethyl methacrylate (PMMA), and a well-defined core-shell hybrid structure of MHSH/PMMA was obtained. The surface contact angle of the hybrid whiskers increased to 87.32 deg. from 12.71 deg. and the whiskers surface was changed from hydrophilic to lipophilic.

Computed tomography for the quantitative characterization of flow through a porous medium

International Nuclear Information System (INIS)

Auzerais, F.M.; Dussan, E.B.; Reischer, A.J.

1991-01-01

X-ray computer tomography (CT) has become an increasingly popular research tool in petroleum engineering for characterizing porous media. Its highly detailed images have been used to construct maps of porosity, saturation and atomic composition, and to visualize the displacement of fluids. However, extracting data necessary to characterize flow through porous media is both time consuming and dependent on the availability of extensive computational resources - - a consequence of the large size of the image files. The authors of this paper applied to known technique, based upon the ability to recognize regions with similar features, which avoids these difficulties. It allows the authors to substitute for the image, the pixel location of the boundaries of the recognized regions, reducing considerably the computer storage requirements. The authors this technique to study the dynamics of two miscible liquids of different densities flowing through a porous medium where buoyancy plays an important role. The authors' specific concern is the movement of mud filtrate as it penetrates a permeable formation in the vicinity of a recently drilled wellbore. The authors quantify the manner in which impermeable horizontal barriers influence the movement of the filtrate

Nanoscale surface characterization using laser interference microscopy

Science.gov (United States)

Ignatyev, Pavel S.; Skrynnik, Andrey A.; Melnik, Yury A.

2018-03-01

Nanoscale surface characterization is one of the most significant parts of modern materials development and application. The modern microscopes are expensive and complicated tools, and its use for industrial tasks is limited due to laborious sample preparation, measurement procedures, and low operation speed. The laser modulation interference microscopy method (MIM) for real-time quantitative and qualitative analysis of glass, metals, ceramics, and various coatings has a spatial resolution of 0.1 nm for vertical and up to 100 nm for lateral. It is proposed as an alternative to traditional scanning electron microscopy (SEM) and atomic force microscopy (AFM) methods. It is demonstrated that in the cases of roughness metrology for super smooth (Ra >1 nm) surfaces the application of a laser interference microscopy techniques is more optimal than conventional SEM and AFM. The comparison of semiconductor test structure for lateral dimensions measurements obtained with SEM and AFM and white light interferometer also demonstrates the advantages of MIM technique.

A computer program for fitting smooth surfaces to an aircraft configuration and other three dimensional geometries

Science.gov (United States)

Craidon, C. B.

1975-01-01

A computer program that uses a three-dimensional geometric technique for fitting a smooth surface to the component parts of an aircraft configuration is presented. The resulting surface equations are useful in performing various kinds of calculations in which a three-dimensional mathematical description is necessary. Programs options may be used to compute information for three-view and orthographic projections of the configuration as well as cross-section plots at any orientation through the configuration. The aircraft geometry input section of the program may be easily replaced with a surface point description in a different form so that the program could be of use for any three-dimensional surface equations.

Surface characterization of graphene based materials

International Nuclear Information System (INIS)

Pisarek, M.; Holdynski, M.; Krawczyk, M.; Nowakowski, R.; Roguska, A.; Malolepszy, A.; Stobinski, L.; Jablonski, A.

2016-01-01

Highlights: • Two kind of samples: commercial graphene on Cu substrate and rGO flakes. • EPES applied to measure the IMFPs in graphene based materials. • Characterization by various techniques like: FE-SEM, AFM, XPS, AES and REELS. • EPES IMFPs for rGO deviated up to 14% from IMFPs calculated using the optical data. - Abstract: In the present study, two kind of samples were used: (i) a monolayer graphene film with a thickness of 0.345 nm deposited by the CVD method on Cu foil, (ii) graphene flakes obtained by modified Hummers method and followed by reduction of graphene oxide. The inelastic mean free path (IMFP), characterizing electron transport in graphene/Cu sample and reduced graphene oxide material, which determines the sampling depth of XPS and AES were evaluated from relative Elastic Peak Electron Spectroscopy (EPES) measurements with the Au standard in the energy range 0.5–2 keV. The measured IMFPs were compared with IMFPs resulting from experimental optical data published in the literature for the graphite sample. The EPES IMFP values at 0.5 and 1.5 keV was practically identical to that calculated from optical data for graphite (less than 4% deviation). For energies 1 and 2 keV, the EPES IMFPs for rGO were deviated up to 14% from IMFPs calculated using the optical data by Tanuma et al. [1]. Before EPES measurements all samples were characterized by various techniques like: FE-SEM, AFM, XPS, AES and REELS to visualize the surface morphology/topography and identify the chemical composition.

Surface characterization of graphene based materials

Energy Technology Data Exchange (ETDEWEB)

Pisarek, M., E-mail: mpisarek@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Holdynski, M.; Krawczyk, M.; Nowakowski, R.; Roguska, A. [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Malolepszy, A. [Faculty of Chemical and Process Engineering, Warsaw University of Technology, Warynskiego 1, 00-065 Warsaw (Poland); Stobinski, L. [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Faculty of Chemical and Process Engineering, Warsaw University of Technology, Warynskiego 1, 00-065 Warsaw (Poland); Jablonski, A. [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland)

2016-12-01

Highlights: • Two kind of samples: commercial graphene on Cu substrate and rGO flakes. • EPES applied to measure the IMFPs in graphene based materials. • Characterization by various techniques like: FE-SEM, AFM, XPS, AES and REELS. • EPES IMFPs for rGO deviated up to 14% from IMFPs calculated using the optical data. - Abstract: In the present study, two kind of samples were used: (i) a monolayer graphene film with a thickness of 0.345 nm deposited by the CVD method on Cu foil, (ii) graphene flakes obtained by modified Hummers method and followed by reduction of graphene oxide. The inelastic mean free path (IMFP), characterizing electron transport in graphene/Cu sample and reduced graphene oxide material, which determines the sampling depth of XPS and AES were evaluated from relative Elastic Peak Electron Spectroscopy (EPES) measurements with the Au standard in the energy range 0.5–2 keV. The measured IMFPs were compared with IMFPs resulting from experimental optical data published in the literature for the graphite sample. The EPES IMFP values at 0.5 and 1.5 keV was practically identical to that calculated from optical data for graphite (less than 4% deviation). For energies 1 and 2 keV, the EPES IMFPs for rGO were deviated up to 14% from IMFPs calculated using the optical data by Tanuma et al. [1]. Before EPES measurements all samples were characterized by various techniques like: FE-SEM, AFM, XPS, AES and REELS to visualize the surface morphology/topography and identify the chemical composition.

Characterization of the silicon nanopillar-surface filled and grafted with nanomaterials

International Nuclear Information System (INIS)

He, Yuan; Che, Xiangchen; Que, Long

2014-01-01

This paper reports the characterization of the silicon nanopillar-surface filled and grafted with nanomaterials. Usually a silicon nanopillar-surface contains nanopillars and air among them. The air is not a good medium to absorb and trap the incoming photons. In order to improve this capability, the air should be replaced with other material. To this end, copper sulfide–gold (CuS–Au) core–shell nanostructures and silver nanoplates are used as two representative substitutes for air among the nanopillars. Experiments find that the reflectance of the nanomaterial-coated nanopillar-surface can be reduced at least 50% compared to that of the bare nanopillar-surface. Different nanomaterial-coated nanopillar-surface can tune the optical reflectance and absorption profile, thereby trapping photons in different wavelength ranges. (paper)

Fractal characterization of the silicon surfaces produced by ion beam irradiation of varying fluences

Energy Technology Data Exchange (ETDEWEB)

Yadav, R.P. [Department of Physics, University of Allahabad, Allahabad, UP 211002 (India); Kumar, T. [Department of Physics, Central University of Haryana, Jant-Pali, Mahendergarh, Haryana 123029 (India); Mittal, A.K. [Department of Physics, University of Allahabad, Allahabad, UP 211002 (India); K Banerjee Centre of Atmospheric and Ocean Studies, University of Allahabad, Allahabad, UP 211002 (India); Dwivedi, S., E-mail: suneetdwivedi@gmail.com [K Banerjee Centre of Atmospheric and Ocean Studies, University of Allahabad, Allahabad, UP 211002 (India); Kanjilal, D. [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, PO Box 10502, New Delhi 110 067 (India)

2015-08-30

Highlights: • Fractal analysis of Si(1 0 0) surface morphology at varying ion fluences. • Autocorrelation function and height–height correlation function as fractal measures. • Surface roughness and lateral correlation length increases with ion fluence. • Ripple pattern of the surfaces is found at higher ion fluences. • Wavelength of the ripple surfaces is computed for each fluence. - Abstract: Si (1 0 0) is bombarded with 200 keV Ar{sup +} ion beam at oblique incidence with fluences ranging from 3 × 10{sup 17} ions/cm{sup 2} to 3 × 10{sup 18} ions/cm{sup 2}. The surface morphology of the irradiated surfaces is captured by the atomic force microscopy (AFM) for each ion fluence. The fractal analysis is performed on the AFM images. The autocorrelation function and height–height correlation function are used as fractal measures. It is found that the average roughness, interface width, lateral correlation length as well as roughness exponent increase with ions fluence. The analysis reveals the ripple pattern of the surfaces at higher fluences. The wavelength of the ripple surfaces is computed for each ion fluence.

Characterization of electronics devices for computed tomography dosimetry

International Nuclear Information System (INIS)

Paschoal, Cinthia Marques Magalhaes

2012-01-01

Computed tomography (CT) is an examination of high diagnostic capability that delivers high doses of radiation compared with other diagnostic radiological examinations. The current CT dosimetry is mainly made by using a 100 mm long ionization chamber. However, it was verified that this extension, which is intended to collect ali scattered radiation of the single slice dose profile in CT, is not enough. An alternative dosimetry has been suggested by translating smaller detectors. In this work, commercial electronics devices of small dimensions were characterized for CT dosimetry. The project can be divided in five parts: a) pre-selection of devices; b) electrical characterization of selected devices; e) dosimetric characterization in Iaboratory, using radiation qualities specific to CT, and in a tomograph; d) evaluation of the dose profile in CT scanner (free in air and in head and body dosimetric phantom); e) evaluation of the new MSAD detector in a tomograph. The selected devices were OP520 and OP521 phototransistors and BPW34FS photodiode. Before the dosimetric characterization, three configurations of detectors, with 4, 2 and 1 OP520 phototransistor working as a single detector, were evaluated and the configuration with only one device was the most adequate. Hence, the following tests, for all devices, were made using the configuration with only one device. The tests of dosimetric characterization in laboratory and in a tomograph were: energy dependence, response as a function of air kerma (laboratory) and CTDI 100 (scanner), sensitivity variation and angular dependence. In both characterizations, the devices showed some energy dependence, indicating the need of correction factors depending on the beam energy; their response was linear with the air kerma and the CTDI 100 ; the OP520 phototransistor showed the largest variation in sensitivity with the irradiation and the photodiode was the most stable; the angular dependence was significant in the laboratory and

Characterization of the solar climate in Malawi using NASA's surface ...

African Journals Online (AJOL)

user

Characterization of the solar climate in Malawi using. NASA's surface meteorology and solar energy. (SSE) model. Senganimalunje, T. C.1 and Tenthani, C. M. 2*. 1Malawi Bureau of Standards, Metrology Services Department, Box 946, Blantyre, Malawi. 2Physics and Biochemical Sciences Department, Malawi Polytechnic, ...

SMART USE OF COMPUTER-AIDED SPERM ANALYSIS (CASA) TO CHARACTERIZE SPERM MOTION

Science.gov (United States)

Computer-aided sperm analysis (CASA) has evolved over the past fifteen years to provide an objective, practical means of measuring and characterizing the velocity and parttern of sperm motion. CASA instruments use video frame-grabber boards to capture multiple images of spermato...

Theory of surface enrichment in disordered monophasic binary alloys. Numerical computations for Ag-Au alloys

NARCIS (Netherlands)

Santen, van R.A.; Boersma, M.A.M.

1974-01-01

The regular solution model is used to compute the surface enrichment in the (111)- and (100)-faces of silver-gold alloys. Surface enrichment by silver is predicted to increase if the surface plane becomes less saturated and decreases if one raises the temperature. The possible implications of these

CLINICAL SURFACES - Activity-Based Computing for Distributed Multi-Display Environments in Hospitals

Science.gov (United States)

Bardram, Jakob E.; Bunde-Pedersen, Jonathan; Doryab, Afsaneh; Sørensen, Steffen

A multi-display environment (MDE) is made up of co-located and networked personal and public devices that form an integrated workspace enabling co-located group work. Traditionally, MDEs have, however, mainly been designed to support a single “smart room”, and have had little sense of the tasks and activities that the MDE is being used for. This paper presents a novel approach to support activity-based computing in distributed MDEs, where displays are physically distributed across a large building. CLINICAL SURFACES was designed for clinical work in hospitals, and enables context-sensitive retrieval and browsing of patient data on public displays. We present the design and implementation of CLINICAL SURFACES, and report from an evaluation of the system at a large hospital. The evaluation shows that using distributed public displays to support activity-based computing inside a hospital is very useful for clinical work, and that the apparent contradiction between maintaining privacy of medical data in a public display environment can be mitigated by the use of CLINICAL SURFACES.

Comparison of optical methods for surface roughness characterization

DEFF Research Database (Denmark)

Feidenhans'l, Nikolaj Agentoft; Hansen, Poul Erik; Pilny, Lukas

2015-01-01

We report a study of the correlation between three optical methods for characterizing surface roughness: a laboratory scatterometer measuring the bi-directional reflection distribution function (BRDF instrument), a simple commercial scatterometer (rBRDF instrument), and a confocal optical profiler....... For each instrument, the effective range of spatial surface wavelengths is determined, and the common bandwidth used when comparing the evaluated roughness parameters. The compared roughness parameters are: the root-mean-square (RMS) profile deviation (Rq), the RMS profile slope (Rdq), and the variance...... of the scattering angle distribution (Aq). The twenty-two investigated samples were manufactured with several methods in order to obtain a suitable diversity of roughness patterns.Our study shows a one-to-one correlation of both the Rq and the Rdq roughness values when obtained with the BRDF and the confocal...

Three-phase short circuit calculation method based on pre-computed surface for doubly fed induction generator

Science.gov (United States)

Ma, J.; Liu, Q.

2018-02-01

This paper presents an improved short circuit calculation method, based on pre-computed surface to determine the short circuit current of a distribution system with multiple doubly fed induction generators (DFIGs). The short circuit current, injected into power grid by DFIG, is determined by low voltage ride through (LVRT) control and protection under grid fault. However, the existing methods are difficult to calculate the short circuit current of DFIG in engineering practice due to its complexity. A short circuit calculation method, based on pre-computed surface, was proposed by developing the surface of short circuit current changing with the calculating impedance and the open circuit voltage. And the short circuit currents were derived by taking into account the rotor excitation and crowbar activation time. Finally, the pre-computed surfaces of short circuit current at different time were established, and the procedure of DFIG short circuit calculation considering its LVRT was designed. The correctness of proposed method was verified by simulation.

Computational methods for investigation of surface curvature effects on airfoil boundary layer behavior

Directory of Open Access Journals (Sweden)

Xiang Shen

2017-03-01

Full Text Available This article presents computational algorithms for the design, analysis, and optimization of airfoil aerodynamic performance. The prescribed surface curvature distribution blade design (CIRCLE method is applied to a symmetrical airfoil NACA0012 and a non-symmetrical airfoil E387 to remove their surface curvature and slope-of-curvature discontinuities. Computational fluid dynamics analysis is used to investigate the effects of curvature distribution on aerodynamic performance of the original and modified airfoils. An inviscid–viscid interaction scheme is introduced to predict the positions of laminar separation bubbles. The results are compared with experimental data obtained from tests on the original airfoil geometry. The computed aerodynamic advantages of the modified airfoils are analyzed in different operating conditions. The leading edge singularity of NACA0012 is removed and it is shown that the surface curvature discontinuity affects aerodynamic performance near the stalling angle of attack. The discontinuous slope-of-curvature distribution of E387 results in a larger laminar separation bubble at lower angles of attack and lower Reynolds numbers. It also affects the inherent performance of the airfoil at higher Reynolds numbers. It is shown that at relatively high angles of attack, a continuous slope-of-curvature distribution reduces the skin friction by suppressing both laminar and turbulent separation, and by delaying laminar-turbulent transition. It is concluded that the surface curvature distribution has significant effects on the boundary layer behavior and consequently an improved curvature distribution will lead to higher aerodynamic efficiency.

Atomic force microscopy characterization of the surface wettability of natural fibres

International Nuclear Information System (INIS)

Pietak, Alexis; Korte, Sandra; Tan, Emelyn; Downard, Alison; Staiger, Mark P.

2007-01-01

Natural fibres represent a readily available source of ecologically friendly and inexpensive reinforcement in composites with degradable thermoplastics, however chemical treatments of fibres are required to prepare feasible composites. It is desirable to characterize the surface wettability of fibres after chemical treatment as the polarity of cellulose-based fibres influences compatibility with a polymer matrix. Assessment of the surface wettability of natural fibres using conventional methods presents a challenge as the surfaces are morphologically and chemically heterogeneous, rough, and can be strongly wicking. In this work it is shown that under atmospheric conditions the adhesion force between an atomic force microscopy (AFM) tip and the fibre surface can estimate the water contact angle and surface wettability of the fibre. AFM adhesion force measurements are suitable for the more difficult surfaces of natural fibres and in addition allow for correlations between microstructural features and surface wettability characteristics

COLUROUTE : a mobile gonio-reflectometer to characterize the road surface photometry

OpenAIRE

MUZET, Valérie; PAUMIER, Jean Luc; GUILLARD, Yannick

2008-01-01

Designing a lighting installation involves accounting for site-specific geometric parameters and photometric characteristics of both the light sources and the road surface. The standard tool for characterizing road surface photometry is the reduced luminance coefficient table (or R-table), as defined in the 70's by the CIE. However, recent studies have shown that these tables are no longer representative. In this context, measuring road photometry is necessary for optimizing a lighting ins...

Surface characterization of graphene based materials

Science.gov (United States)

Pisarek, M.; Holdynski, M.; Krawczyk, M.; Nowakowski, R.; Roguska, A.; Malolepszy, A.; Stobinski, L.; Jablonski, A.

2016-12-01

In the present study, two kind of samples were used: (i) a monolayer graphene film with a thickness of 0.345 nm deposited by the CVD method on Cu foil, (ii) graphene flakes obtained by modified Hummers method and followed by reduction of graphene oxide. The inelastic mean free path (IMFP), characterizing electron transport in graphene/Cu sample and reduced graphene oxide material, which determines the sampling depth of XPS and AES were evaluated from relative Elastic Peak Electron Spectroscopy (EPES) measurements with the Au standard in the energy range 0.5-2 keV. The measured IMFPs were compared with IMFPs resulting from experimental optical data published in the literature for the graphite sample. The EPES IMFP values at 0.5 and 1.5 keV was practically identical to that calculated from optical data for graphite (less than 4% deviation). For energies 1 and 2 keV, the EPES IMFPs for rGO were deviated up to 14% from IMFPs calculated using the optical data by Tanuma et al. [1]. Before EPES measurements all samples were characterized by various techniques like: FE-SEM, AFM, XPS, AES and REELS to visualize the surface morphology/topography and identify the chemical composition.

Formation and Characterization of Stacked Nanoscale Layers of Polymers and Silanes on Silicon Surfaces

Science.gov (United States)

Ochoa, Rosie; Davis, Brian; Conley, Hiram; Hurd, Katie; Linford, Matthew R.; Davis, Robert C.

2008-10-01

Chemical surface patterning at the nanoscale is a critical component of chemically directed assembly of nanoscale devices or sensitive biological molecules onto surfaces. Complete and consistent formation of nanoscale layers of silanes and polymers is a necessary first step for chemical patterning. We explored methods of silanizing silicon substrates for the purpose of functionalizing the surfaces. The chemical functionalization, stability, flatness, and repeatability of the process was characterized by use of ellipsometry, water contact angle, and Atomic Force Microscopy (AFM). We found that forming the highest quality functionalized surfaces was accomplished through use of chemical vapor deposition (CVD). Specifically, surfaces were plasma cleaned and hydrolyzed before the silane was applied. A polymer layer less then 2 nm in thickness was electrostatically bound to the silane layer. The chemical functionalization, stability, flatness, and repeatability of the process was also characterized for the polymer layer using ellipsometry, water contact angle, and AFM.

Computational Biology Methods for Characterization of Pluripotent Cells.

Science.gov (United States)

Araúzo-Bravo, Marcos J

2016-01-01

Pluripotent cells are a powerful tool for regenerative medicine and drug discovery. Several techniques have been developed to induce pluripotency, or to extract pluripotent cells from different tissues and biological fluids. However, the characterization of pluripotency requires tedious, expensive, time-consuming, and not always reliable wet-lab experiments; thus, an easy, standard quality-control protocol of pluripotency assessment remains to be established. Here to help comes the use of high-throughput techniques, and in particular, the employment of gene expression microarrays, which has become a complementary technique for cellular characterization. Research has shown that the transcriptomics comparison with an Embryonic Stem Cell (ESC) of reference is a good approach to assess the pluripotency. Under the premise that the best protocol is a computer software source code, here I propose and explain line by line a software protocol coded in R-Bioconductor for pluripotency assessment based on the comparison of transcriptomics data of pluripotent cells with an ESC of reference. I provide advice for experimental design, warning about possible pitfalls, and guides for results interpretation.

Characterization of holding brake friction pad surface after pin-on-plate wear test

DEFF Research Database (Denmark)

Drago, N.; Gonzalez Madruga, D.; De Chiffre, L.

2018-01-01

This article concerns the metrological characterization of the surface on a holding brake friction material pin after a pin-on-plate (POP) wear test. The POP test induces the formation of surface plateaus that affect brake performances such as wear, friction, noise and heat. Three different...

Surface microstructures of daisy florets (Asteraceae) and characterization of their anisotropic wetting

International Nuclear Information System (INIS)

Koch, Kerstin; Bennemann, Michael; Bohn, Holger F; Barthlott, Wilhelm; Albach, Dirk C

2013-01-01

The surface microstructures on ray florets of 62 species were characterized and compared with modern phylogenetic data of species affiliation in Asteraceae to determine sculptural patterns and their occurrence in the tribes of Asteraceae. Their wettability was studied to identify structural-induced droplet adhesion, which can be used for the development of artificial surfaces for water harvesting and passive surface water transport. The wettability was characterized by contact angle (CA) and tilt angle measurements, performed on fresh ray florets and their epoxy resin replica. The CAs on ray florets varied between 104° and 156°, but water droplets did not roll off when surface was tilted at 90°. Elongated cell structures and cuticle folding orientated in the same direction as the cell elongation caused capillary forces, leading to anisotropic wetting, with extension of water droplets along the length axis of epidermis cells. The strongest elongation of the droplets was also supported by a parallel, cell-overlapping cuticle striation. In artificial surfaces made of epoxy replica of ray florets, this effect was enhanced. The distribution of the identified four structural types exhibits a strong phylogenetic signal and allows the inference of an evolutionary trend in the modification of floret epidermal cells. (paper)

Surface microstructures of daisy florets (Asteraceae) and characterization of their anisotropic wetting.

Science.gov (United States)

Koch, Kerstin; Bennemann, Michael; Bohn, Holger F; Albach, Dirk C; Barthlott, Wilhelm

2013-09-01

The surface microstructures on ray florets of 62 species were characterized and compared with modern phylogenetic data of species affiliation in Asteraceae to determine sculptural patterns and their occurrence in the tribes of Asteraceae. Their wettability was studied to identify structural-induced droplet adhesion, which can be used for the development of artificial surfaces for water harvesting and passive surface water transport. The wettability was characterized by contact angle (CA) and tilt angle measurements, performed on fresh ray florets and their epoxy resin replica. The CAs on ray florets varied between 104° and 156°, but water droplets did not roll off when surface was tilted at 90°. Elongated cell structures and cuticle folding orientated in the same direction as the cell elongation caused capillary forces, leading to anisotropic wetting, with extension of water droplets along the length axis of epidermis cells. The strongest elongation of the droplets was also supported by a parallel, cell-overlapping cuticle striation. In artificial surfaces made of epoxy replica of ray florets, this effect was enhanced. The distribution of the identified four structural types exhibits a strong phylogenetic signal and allows the inference of an evolutionary trend in the modification of floret epidermal cells.

Surface modification and characterization of basalt fibers as potential reinforcement of concretes

Science.gov (United States)

Iorio, M.; Santarelli, M. L.; González-Gaitano, G.; González-Benito, J.

2018-01-01

Basalt fibers were surface treated with silane coupling agents as a method to enhance the adhesion and durability of fiber-matrix interfaces in concrete based composite materials. In particular, this work has been focused on the study of basalt fibers chemical coatings with aminosilanes and their subsequent characterization. Surface treatments were carried out after removing the original sizing applied by manufacturer and pretreating them with an activation process of surface silanol regeneration. Different samples were considered to make convenient comparisons: as received fibers (commercial), calcinated fibers (without commercial sizing), activated samples (calcinated fibers subjected to an acid process for hydroxyl regeneration), and silanized fibers with γ-aminopropiltriethoxysilane, γ-aminopropilmethyldiethoxysilane and a mixture of 50% by weight of both silanes. A deep characterization was carried out in terms of structure using X-ray diffraction, XRD, and Fourier transform infrared spectroscopy, FTIR, thermal properties by thermogravimetric analysis, TGA, coupled with single differential thermal analysis, SDTA, and morphology by scanning electron microscopy, SEM, and atomic force microscopy, AFM.

Cardiac motion extraction and characterization in multislice computed tomography

International Nuclear Information System (INIS)

Simon, A.

2005-12-01

Cardiac kinetics analysis is of a great diagnostic interest in the fight against cardiovascular pathologies. Two methods are proposed in order to estimate cardiac motion from dynamic sequences of three-dimensional volumes acquired in multislice computed tomography. These methods both lie on a feature matching process, carried out within a Markovian framework and according to a multi-resolution scheme. The first method, estimating the correspondences between pre-segmented surfaces, is dependent on the temporal coherence of this segmentation. The second method estimates the correspondences between, on the one hand, a segmented surface and, on the other hand, the original data volume corresponding to the next moment. The motion estimation and the segmentation are then carried out, on the whole sequence, during a single process. Both methods are validated on simulated and real data. (author)

Domain Immersion Technique And Free Surface Computations Applied To Extrusion And Mixing Processes

Science.gov (United States)

Valette, Rudy; Vergnes, Bruno; Basset, Olivier; Coupez, Thierry

2007-04-01

This work focuses on the development of numerical techniques devoted to the simulation of mixing processes of complex fluids such as twin-screw extrusion or batch mixing. In mixing process simulation, the absence of symmetry of the moving boundaries (the screws or the rotors) implies that their rigid body motion has to be taken into account by using a special treatment. We therefore use a mesh immersion technique (MIT), which consists in using a P1+/P1-based (MINI-element) mixed finite element method for solving the velocity-pressure problem and then solving the problem in the whole barrel cavity by imposing a rigid motion (rotation) to nodes found located inside the so called immersed domain, each subdomain (screw, rotor) being represented by a surface CAD mesh (or its mathematical equation in simple cases). The independent meshes are immersed into a unique backgound computational mesh by computing the distance function to their boundaries. Intersections of meshes are accounted for, allowing to compute a fill factor usable as for the VOF methodology. This technique, combined with the use of parallel computing, allows to compute the time-dependent flow of generalized Newtonian fluids including yield stress fluids in a complex system such as a twin screw extruder, including moving free surfaces, which are treated by a "level set" and Hamilton-Jacobi method.

Validation of in-line surface characterization by light scattering in Robot Assisted Polishing

DEFF Research Database (Denmark)

Pilny, Lukas; Bissacco, Giuliano; De Chiffre, Leonardo

2014-01-01

The suitability of a commercial scattered light sensor for in-line characterization of fine surfaces in the roughness range Sa 1 – 30 nm generated by the Robot Assisted Polishing (RAP) was investigated and validated. A number of surfaces were generated and directly measured with the scattered light...

Synthesis, X-ray diffraction method, spectroscopic characterization (FT-IR, 1H and 13C NMR), antimicrobial activity, Hirshfeld surface analysis and DFT computations of novel sulfonamide derivatives

Science.gov (United States)

Demircioğlu, Zeynep; Özdemir, Fethi Ahmet; Dayan, Osman; Şerbetçi, Zafer; Özdemir, Namık

2018-06-01

Synthesized compounds of N-(2-aminophenyl)benzenesulfonamide 1 and (Z)-N-(2-((2-nitrobenzylidene)amino)phenyl)benzenesulfonamide 2 were characterized by antimicrobial activity, FT-IR, 1H and 13C NMR. Two new Schiff base ligands containing aromatic sulfonamide fragment of (Z)-N-(2-((3-nitrobenzylidene)amino)phenyl)benzenesulfonamide 3 and (Z)-N-(2-((4-nitrobenzylidene)amino)phenyl)benzenesulfonamide 4 were synthesized and investigated by spectroscopic techniques including 1H and 13C NMR, FT-IR, single crystal X-ray diffraction, Hirshfeld surface, theoretical method analyses and by antimicrobial activity. The molecular geometry obtained from the X-ray structure determination was optimized Density Functional Theory (DFT/B3LYP) method with the 6-311++G(d,p) basis set in ground state. From the optimized geometry of the molecules of 3 and 4, the geometric parameters, vibrational wavenumbers and chemical shifts were computed. The optimized geometry results, which were well represented the X-ray data, were shown that the chosen of DFT/B3LYP 6-311G++(d,p) was a successful choice. After a successful optimization, frontier molecular orbitals, chemical activity, non-linear optical properties (NLO), molecular electrostatic mep (MEP), Mulliken population method, natural population analysis (NPA) and natural bond orbital analysis (NBO), which cannot be obtained experimentally, were calculated and investigated.

Surface characterization of insulin protofilaments and fibril polymorphs using tip-enhanced Raman spectroscopy (TERS).

Science.gov (United States)

Kurouski, Dmitry; Deckert-Gaudig, Tanja; Deckert, Volker; Lednev, Igor K

2014-01-07

Amyloid fibrils are β-sheet-rich protein aggregates that are strongly associated with a variety of neurodegenerative maladies, such as Alzheimer's and Parkinson's diseases. Even if the secondary structure of such fibrils is well characterized, a thorough understanding of their surface organization still remains elusive. Tip-enhanced Raman spectroscopy (TERS) is one of a few techniques that allow the direct characterization of the amino acid composition and the protein secondary structure of the amyloid fibril surface. Herein, we investigated the surfaces of two insulin fibril polymorphs with flat (flat) and left-twisted (twisted) morphology. It was found that the two differ substantially in both amino acid composition and protein secondary structure. For example, the amounts of Tyr, Pro, and His differ, as does the number of carboxyl groups on the respective surfaces, whereas the amounts of Phe and of positively charged amino and imino groups remain similar. In addition, the surface of protofilaments, the precursors of the mature flat and twisted fibrils, was investigated using TERS. The results show substantial differences with respect to the mature fibrils. A correlation of amino acid frequencies and protein secondary structures on the surface of protofilaments and on flat and twisted fibrils allowed us to propose a hypothetical mechanism for the propagation to specific fibril polymorphs. This knowledge can shed a light on the toxicity of amyloids and define the key factors responsible for fibril polymorphism. Finally, this work demonstrates the potential of TERS for the surface characterization of amyloid fibril polymorphs. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Understanding and preventing computer vision syndrome.

Science.gov (United States)

Loh, Ky; Redd, Sc

2008-01-01

The invention of computer and advancement in information technology has revolutionized and benefited the society but at the same time has caused symptoms related to its usage such as ocular sprain, irritation, redness, dryness, blurred vision and double vision. This cluster of symptoms is known as computer vision syndrome which is characterized by the visual symptoms which result from interaction with computer display or its environment. Three major mechanisms that lead to computer vision syndrome are extraocular mechanism, accommodative mechanism and ocular surface mechanism. The visual effects of the computer such as brightness, resolution, glare and quality all are known factors that contribute to computer vision syndrome. Prevention is the most important strategy in managing computer vision syndrome. Modification in the ergonomics of the working environment, patient education and proper eye care are crucial in managing computer vision syndrome.

UNDERSTANDING AND PREVENTING COMPUTER VISION SYNDROME

Directory of Open Access Journals (Sweden)

REDDY SC

2008-01-01

Full Text Available The invention of computer and advancement in information technology has revolutionized and benefited the society but at the same time has caused symptoms related to its usage such as ocular sprain, irritation, redness, dryness, blurred vision and double vision. This cluster of symptoms is known as computer vision syndrome which is characterized by the visual symptoms which result from interaction with computer display or its environment. Three major mechanisms that lead to computer vision syndrome are extraocular mechanism, accommodative mechanism and ocular surface mechanism. The visual effects of the computer such as brightness, resolution, glare and quality all are known factors that contribute to computer vision syndrome. Prevention is the most important strategy in managing computer vision syndrome. Modification in the ergonomics of the working environment, patient education and proper eye care are crucial in managing computer vision syndrome.

Microanalytical characterization of surface decoration in Majolica pottery

International Nuclear Information System (INIS)

Padilla, R.; Schalm, O.; Janssens, K.; Arrazcaeta, R.; Espen, P. van

2005-01-01

This paper presents the results of the characterization of the surface finishing works in archaeological pottery fragments belonging to several Majolica types. The homogeneity, thickness and inclusions of both ground glaze and color decorations were, among other characteristics, inspected by scanning electron microscopy X-ray analysis (SEM-EDX). The identification of the main constituents in the decoration motifs was performed by means of scanning micro X-ray fluorescence analysis. Additionally, compositional classification based on non-destructive quantitative analysis of the ground glaze was performed

Surface characterization of alloy Ti-6Al-7Nb treated plasma

International Nuclear Information System (INIS)

Moura, J.K.L.; Macedo, H.R.A.; Brito, E.M.; Brandim, A.S.

2014-01-01

Plasma surface modifications are subject of numerous studies to improve the quality of a given material. Titanium and its alloys are widely used in biomedical applications and plasma treatment technique is increasingly used to improve the surface properties thereof. The research have a objective in the comparative analysis of the change in microstructure of Ti-6Al-7Nb alloys after treatment of plasma nitriding. The technical are: nitriding with cathode cage (NGC) and planar discharge. The characterization was obtained by MEV (Scanning Electronic Microscope) and hardness. The results was compared about the better surface modification that meets future prospects of the biocompatibility of the alloy.(author)

Characterization of a Laser Surface-Treated Martensitic Stainless Steel.

Science.gov (United States)

Al-Sayed, S R; Hussein, A A; Nofal, A A; Hassab Elnaby, S I; Elgazzar, H

2017-05-29

Laser surface treatment was carried out on AISI 416 machinable martensitic stainless steel containing 0.225 wt.% sulfur. Nd:YAG laser with a 2.2-KW continuous wave was used. The aim was to compare the physical and chemical properties achieved by this type of selective surface treatment with those achieved by the conventional treatment. Laser power of different values (700 and 1000 W) with four corresponding different laser scanning speeds (0.5, 1, 2, and 3 m•min-1) was adopted to reach the optimum conditions for impact toughness, wear, and corrosion resistance for laser heat treated (LHT) samples. The 0 °C impact energy of LHT samples indicated higher values compared to the conventionally heat treated (CHT) samples. This was accompanied by the formation of a hard surface layer and a soft interior base metal. Microhardness was studied to determine the variation of hardness values with respect to the depth under the treated surface. The wear resistance at the surface was enhanced considerably. Microstructure examination was characterized using optical and scanning electron microscopes. The corrosion behavior of the LHT samples was also studied and its correlation with the microstructures was determined. The corrosion data was obtained in 3.5% NaCl solution at room temperature by means of a potentiodynamic polarization technique.

Computer simulation of RBS spectra from samples with surface roughness

Czech Academy of Sciences Publication Activity Database

Malinský, Petr; Hnatowicz, Vladimír; Macková, Anna

2016-01-01

Roč. 371, MAR (2016), s. 101-105 ISSN 0168-583X. [22nd International conference on Ion Beam Analysis (IBA). Opatija, 14.06.2015-19.06.2015] R&D Projects: GA MŠk(CZ) LM2011019; GA ČR GA15-01602S Institutional support: RVO:61389005 Keywords : computer simulation * Rutherford backscattering * surface roughness Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.109, year: 2016

New Method to Characterize Degradation of First Surface Aluminum Reflectors: Preprint

Energy Technology Data Exchange (ETDEWEB)

Sutter, F.; Heller, P.; Meyen, S.; Pitz-Paal, R.; Kennedy, C.; Fernandez-Garcia, A.; Schmucker, M.

2010-10-01

This paper reports the development of a new optical instrument capable of characterizing the aging process of enhanced first surface aluminum reflectors for concentrating solar power (CSP) application. Samples were exposed outdoors at different sites and in accelerated exposure tests. All samples exposed outdoors showed localized corrosion spots. Degradation originated from points of damage in the protective coating, but propagated underneath the protective coating. The degraded samples were analyzed with a microscope and with a newly designed space-resolved specular reflectometer (SR)2 that is capable of optically detecting and characterizing the corrosion spots. The device measures the specular reflectance at three acceptance angles and the wavelengths with spatial resolution using a digital camera's CMOS sensor. It can be used to measure the corrosion growth rate during outdoor and accelerated exposure tests. These results will allow a correlation between the degraded mirror surface and its specular reflectance.

Spectroscopic characterization of the on-surface induced (cyclo) dehydrogenation of a N-heteroaromatic compound on noble metal surfaces

Czech Academy of Sciences Publication Activity Database

Palacio, I.; Pinardi, A. L.; Martínez, J. I.; Preobrajenski, A.; Cossaro, A.; Jančařík, Andrej; Stará, Irena G.; Starý, Ivo; Méndez, J.; Martín-Gago, J.A.; López, M.F.

2017-01-01

Roč. 19, č. 33 (2017), s. 22454-22461 ISSN 1463-9076 Institutional support: RVO:61388963 Keywords : dibenzohelicene * on-surface (cyclo)dehydrogenation * spectroscopic characterization Subject RIV: CC - Organic Chemistry OBOR OECD: Organic chemistry Impact factor: 4.123, year: 2016

Characterization and flip angle calibration of 13C surface coils for hyperpolarization studies

DEFF Research Database (Denmark)

Hansen, Rie Beck; Gutte, Henrik; Larsen, Majbrit M E

The aim of the present work is to address the challenge of optimal The aim of the present work is to address the challenge of optimal flflip angle calibration of ip angle calibration of C surface coils in C surface coils in hyperpolarization studies. To this end, we characterize the spatial pro h...

Electronic and structural characterizations of unreconstructed {0001} surfaces and the growth of graphene overlayers

International Nuclear Information System (INIS)

Emtsev, Konstantin

2009-01-01

The present work is focused on the characterization of the clean unreconstructed SiC{0001} surfaces and the growth of graphene overlayers thereon. Electronic properties of SiC surfaces and their interfaces with graphene and few layer graphene films were investigated by means of angle resolved photoelectron spectroscopy, X-ray photoelectron spectroscopy and low energy electron diffraction. Structural characterizations of the epitaxial graphene films grown on SiC were carried out by atomic force microscopy and low energy electron microscopy. Supplementary data was obtained by scanning tunneling microscopy. (orig.)

On the computation of molecular surface correlations for protein docking using fourier techniques.

Science.gov (United States)

Sakk, Eric

2007-08-01

The computation of surface correlations using a variety of molecular models has been applied to the unbound protein docking problem. Because of the computational complexity involved in examining all possible molecular orientations, the fast Fourier transform (FFT) (a fast numerical implementation of the discrete Fourier transform (DFT)) is generally applied to minimize the number of calculations. This approach is rooted in the convolution theorem which allows one to inverse transform the product of two DFTs in order to perform the correlation calculation. However, such a DFT calculation results in a cyclic or "circular" correlation which, in general, does not lead to the same result as the linear correlation desired for the docking problem. In this work, we provide computational bounds for constructing molecular models used in the molecular surface correlation problem. The derived bounds are then shown to be consistent with various intuitive guidelines previously reported in the protein docking literature. Finally, these bounds are applied to different molecular models in order to investigate their effect on the correlation calculation.

Characterization of metallic surfaces in phosphorous-bronze ordered packings

International Nuclear Information System (INIS)

Sandru, Claudia; Titescu, Gh.

1997-01-01

Copper and its alloys, particularly the phosphorous bronze, are characterized by a high water wettability as compared with other materials. This feature led to utilization of phosphorous bronze in fabrication of contact elements, a packing type equipping the distillation columns. For heavy water separation by isotopic distillation under vacuum, ordered packings of phosphorous bronze networks were fabricated. The superior performances of these packings are determined by the material and also by the geometrical form and the state of the metallic surface. Thus, a procedure of evaluating the wettability has been developed, based on tests of the network material. The results of the tests constitute a criterion of rating the functional performances of packings, particularly of their efficiencies. Also, investigation techniques of the chemical composition and of the thickness of superficial layer on the packing were developed. It was found that the packing surface presents a layer of about 5-20 μm formed mainly by oxides of copper, tin, and, depending on the packing treatment, of oxides of other elements coming from the treatment agent. The paper presents characterization of phosphorous bronze treated with potassium permanganate, a specific treatment for improving the functional performances of the packings used in the heavy water concentration and re-concentration installations

Characterization of Boroaluminosilicate Glass Surface Structures by B k-edge NEXAFS

Energy Technology Data Exchange (ETDEWEB)

R Schaut; R Lobello; K Mueller; C Pantano

2011-12-31

Techniques traditionally used to characterize bulk glass structure (NMR, IR, etc.) have improved significantly, but none provide direct measurement of local atomic coordination of glass surface species. Here, we used Near-Edge X-ray Absorption Fine Structure (NEXAFS) as a direct measure of atomic structure at multicomponent glass surfaces. Focusing on the local chemical structure of boron, we address technique-related issues of calibration, quantification, and interactions of the beam with the material. We demonstrate that beam-induced adsorption and structural damage can occur within the timeframe of typical measurements. The technique is then applied to the study of various fracture surfaces where it is shown that adsorption and reaction of water with boroaluminosilicate glass surfaces induces structural changes in the local coordination of boron, favoring B{sup IV} species after reaction.

Short communication: Unexpected findings on the physicochemical characterization of the silver nanoparticle surface

Science.gov (United States)

Loran, S.; Yelon, A.; Sacher, E.

2018-01-01

The bactericidal properties of silver nanoparticles (Ag NPs) have been variously attributed to the action of the NP surface and/or the Ag ions released therefrom. However, the published literature does not appear to contain any information on the physicochemical characterization of the NP surface. Herein, we report on the surprisingly reactive surface of the Ag NP, which has an almost total lack of free Ag on atmospheric exposure. Rather, an abundance of surface hydrocarbons, hydrides and oxides, as well as amines and oxidized N, argues for a reinterpretation of their bactericidal action.

A method for the characterization of the reflectance of anisotropic functional surfaces

DEFF Research Database (Denmark)

Regi, Francesco; Nielsen, J B; Li, Dongya

2018-01-01

The functional properties of micro-structured surfaces have gained increasing interest thanks to many applications such as wetting, adhesion, thermal and/or electrical conductivity. In this study, directional optical properties, i.e. contrast between two regions of a surface, were achieved...... reflectance of the surface for a range of design-specific view-illumination configurations was determined using a method that involves a Hirox RH-2000 digital microscope, used as a gonioreflectometer. This method allows the empirical determination of the optimum surface microstructure for maximizing contrast...... between two horizontally orthogonal views. The results show that even if the uncertainty related to the instrumentation is up to 20% in some cases, this procedure is suitable for the characterization of the surface of both metal and plastic counterpart....

Potentialities of some surface characterization techniques for the development of titanium biomedical alloys

Directory of Open Access Journals (Sweden)

P.S. Vanzillotta

2004-09-01

Full Text Available Bone formation around a metallic implant is a complex process that involves micro- and nanometric interactions. Several surface treatments, including coatings were developed in order to obtain faster osseointegration. To understand the role of these surface treatments on bone formation it is necessary to choose adequate characterization techniques. Among them, we have selected electron microscopy, profilometry, atomic force microscopy (AFM and X-ray photoelectron spectroscopy (XPS to describe them briefly. Examples of the potentialities of these techniques on the characterization of titanium for biomedical applications were also presented and discussed. Unfortunately more than one technique is usually necessary to describe conveniently the topography (scanning electron microsocopy, profilometry and/or AFM and the chemical state (XPS of the external layer of the material surface. The employment of the techniques above described can be useful especially for the development of new materials or products.

Statistical Characterization of Electromagnetic Wave Propagation in Mine Environments

KAUST Repository

Yucel, Abdulkadir C.

2013-01-01

A computational framework for statistically characterizing electromagnetic (EM) wave propagation through mine tunnels and galleries is presented. The framework combines a multi-element probabilistic collocation method with a full-wave fast Fourier transform and fast multipole method accelerated surface integral equation-based EM simulator to statistically characterize fields from wireless transmitters in complex mine environments. 1536-1225 © 2013 IEEE.

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

International Nuclear Information System (INIS)

Al-Mousa, Amjed; Niemann, Darrell L.; Niemann, Devin J.; Gunther, Norman G.; Rahman, Mahmud

2011-01-01

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 search 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: → A Fuzzy logic analysis technique capable of characterizing AFM images of thin films. → The technique is applicable to different surfaces regardless of their densities. → Fuzzy logic technique does not require manual adjustment of the algorithm parameters. → The technique can quantitatively capture differences between surfaces. → This technique yields more realistic structure boundaries compared to other methods.

Freeform surface measurement and characterisation using a toolmakers microscope

International Nuclear Information System (INIS)

Wong, Francis Seung-yin; Chauh, Kong-Bieng; Venuvinod, Patri K

2014-01-01

Current freeform surface (FFS) characterization systems mainly cover aspects related to computer-aided design/manufacture (CAD/CAM). This paper describes a new approach that extends into computer-aided inspection (CAI).The following novel features are addressed: - ◼ Feature recognition and extraction from surface data; - ◼ Characterisation of properties of the surface's M and N vectors at individual vertex; - ◼ Development of a measuring plan using a toolmakers microscope for the inspection of the FFS; - ◼ Inspection of the actual FFS produced by CNC milling; - ◼ Verification of the measurement results and comparison with the CAD design data; Tests have shown that the deviations between the CAI and CAD data were within the estimated uncertainty limits

Fabrication and surface characterization of photopatterned encapsulated micromagnets for microrobotics and microfluidics applications

Science.gov (United States)

Li, Hui; Leachman, William; Kershaw, Joe

2016-11-01

In this paper, encapsulated micromagnets with magnetic core surrounded by pure SU-8 were fabricated utilizing multilayer photolithography with a middle NdFeB magnetic composite layer. Various geometries of micromagnets were fabricated with high density magnetic core and high resolution features, showing magnetically response while still being biocompatible and chemically resistant and making them suitable for a wide range of microrobotics and microfluidics applications. Especially, crescent and C-channel micromagnets showed potential of microtransportation devices because of their interior reservoirs. Surface characterization of the micromagnets was conducted using closed-form solutions derived from the general biplanar surface characterization method. The fabrication method was evaluated and the process errors were found less than 1%.

Characterization of a Laser Surface-Treated Martensitic Stainless Steel

Directory of Open Access Journals (Sweden)

S.R. Al-Sayed

2017-05-01

Full Text Available Laser surface treatment was carried out on AISI 416 machinable martensitic stainless steel containing 0.225 wt.% sulfur. Nd:YAG laser with a 2.2-KW continuous wave was used. The aim was to compare the physical and chemical properties achieved by this type of selective surface treatment with those achieved by the conventional treatment. Laser power of different values (700 and 1000 W with four corresponding different laser scanning speeds (0.5, 1, 2, and 3 m•min−1 was adopted to reach the optimum conditions for impact toughness, wear, and corrosion resistance for laser heat treated (LHT samples. The 0 °C impact energy of LHT samples indicated higher values compared to the conventionally heat treated (CHT samples. This was accompanied by the formation of a hard surface layer and a soft interior base metal. Microhardness was studied to determine the variation of hardness values with respect to the depth under the treated surface. The wear resistance at the surface was enhanced considerably. Microstructure examination was characterized using optical and scanning electron microscopes. The corrosion behavior of the LHT samples was also studied and its correlation with the microstructures was determined. The corrosion data was obtained in 3.5% NaCl solution at room temperature by means of a potentiodynamic polarization technique.

Spinorial characterizations of surfaces into three-dimensional homogeneous manifolds

Science.gov (United States)

Roth, Julien

2010-06-01

We give spinorial characterizations of isometrically immersed surfaces into three-dimensional homogeneous manifolds with four-dimensional isometry group in terms of the existence of a particular spinor field. This generalizes works by Friedrich for R3 and Morel for S3 and H3. The main argument is the interpretation of the energy-momentum tensor of such a spinor field as the second fundamental form up to a tensor depending on the structure of the ambient space.

Multifractal characterization of single wall carbon nanotube thin films surface upon exposure to optical parametric oscillator laser irradiation

International Nuclear Information System (INIS)

Ţălu, Ştefan; Marković, Zoran; Stach, Sebastian; Todorović Marković, B.; Ţălu, Mihai

2014-01-01

This study presents a multifractal approach, obtained with atomic force microscopy analysis, to characterize the structural evolution of single wall carbon nanotube thin films upon exposure to optical parametric oscillator laser irradiation at wavelength of 430 nm. Microstructure and morphological changes of carbon nanotube films deposited on different substrates (mica and TGX grating) were recorded by atomic force microscope. A detailed methodology for surface multifractal characterization, which may be applied for atomic force microscopy data, was presented. Multifractal analysis of surface roughness revealed that carbon nanotube films surface has a multifractal geometry at various magnifications. The generalized dimension D q and the singularity spectrum f(α) provided quantitative values that characterize the local scale properties of carbon nanotube films surface morphology at nanometer scale. Multifractal analysis provides different yet complementary information to that offered by traditional surface statistical parameters.

Characterization of surface properties of glass vials used as primary packaging material for parenterals.

Science.gov (United States)

Ditter, Dominique; Mahler, Hanns-Christian; Roehl, Holger; Wahl, Michael; Huwyler, Joerg; Nieto, Alejandra; Allmendinger, Andrea

2018-04-01

The appropriate selection of adequate primary packaging, such as the glass vial, rubber stopper, and crimp cap for parenteral products is of high importance to ensure product stability, microbiological quality (integrity) during storage as well as patient safety. A number of issues can arise when inadequate vial material is chosen, and sole compliance to hydrolytic class I is sometimes not sufficient when choosing a glass vial. Using an appropriate pre-treatment, such as surface modification or coating of the inner vial surface after the vial forming process the glass container quality is often improved and interactions of the formulation with the surface of glass may be minimized. This study aimed to characterize the inner surface of different type I glass vials (Exp33, Exp51, Siliconized, TopLyo™ and Type I plus®) at the nanoscale level. All vials were investigated topographically by colorimetric staining and Scanning Electron Microscopy (SEM). Glass composition of the surface was studied by Time-of-Flight - Secondary Ion Mass Spectrometry (ToF-SIMS) and X-ray Photoelectron Spectroscopy (XPS), and hydrophobicity/hydrophilicity of the inner surface was assessed by dye tests and surface energy measurements. All containers were studied unprocessed, as received from the vendor, i.e. in unwashed and non-depyrogenized condition. Clear differences were found between the different vial types studied. Especially glass vials without further surface modifications, like Exp33 and Exp51 vials, showed significant (I) vial-to-vial variations within one vial lot as well as (II) variations along the vertical axis of a single vial when studying topography and chemical composition. In addition, differences and heterogeneity in surface energy were found within a given tranche (circumferential direction) of Exp51 as well as Type I plus® vials. Most consistent quality was achieved with TopLyo™ vials. The present comprehensive characterization of surface properties of the

Reference Computational Meshing Strategy for Computational Fluid Dynamics Simulation of Departure from Nucleate BoilingReference Computational Meshing Strategy for Computational Fluid Dynamics Simulation of Departure from Nucleate Boiling

Energy Technology Data Exchange (ETDEWEB)

Pointer, William David [ORNL

2017-08-01

The objective of this effort is to establish a strategy and process for generation of suitable computational mesh for computational fluid dynamics simulations of departure from nucleate boiling in a 5 by 5 fuel rod assembly held in place by PWR mixing vane spacer grids. This mesh generation process will support ongoing efforts to develop, demonstrate and validate advanced multi-phase computational fluid dynamics methods that enable more robust identification of dryout conditions and DNB occurrence.Building upon prior efforts and experience, multiple computational meshes were developed using the native mesh generation capabilities of the commercial CFD code STAR-CCM+. These meshes were used to simulate two test cases from the Westinghouse 5 by 5 rod bundle facility. The sensitivity of predicted quantities of interest to the mesh resolution was then established using two evaluation methods, the Grid Convergence Index method and the Least Squares method. This evaluation suggests that the Least Squares method can reliably establish the uncertainty associated with local parameters such as vector velocity components at a point in the domain or surface averaged quantities such as outlet velocity magnitude. However, neither method is suitable for characterization of uncertainty in global extrema such as peak fuel surface temperature, primarily because such parameters are not necessarily associated with a fixed point in space. This shortcoming is significant because the current generation algorithm for identification of DNB event conditions relies on identification of such global extrema. Ongoing efforts to identify DNB based on local surface conditions will address this challenge

A surface capturing method for the efficient computation of steady water waves

NARCIS (Netherlands)

Wackers, J.; Koren, B.

2008-01-01

A surface capturing method is developed for the computation of steady water–air flow with gravity. Fluxes are based on artificial compressibility and the method is solved with a multigrid technique and line Gauss–Seidel smoother. A test on a channel flow with a bottom bump shows the accuracy of the

Characterizing Pavement Surface Distress Conditions with Hyper-Spatial Resolution Natural Color Aerial Photography

Directory of Open Access Journals (Sweden)

Su Zhang

2016-05-01

Full Text Available Roadway pavement surface distress information is critical for effective pavement asset management, and subsequently, transportation management agencies at all levels (i.e., federal, state, and local dedicate a large amount of time and money to routinely evaluate pavement surface distress conditions as the core of their asset management programs. However, currently adopted ground-based evaluation methods for pavement surface conditions have many disadvantages, like being time-consuming and expensive. Aircraft-based evaluation methods, although getting more attention, have not been used for any operational evaluation programs yet because the acquired images lack the spatial resolution to resolve finer scale pavement surface distresses. Hyper-spatial resolution natural color aerial photography (HSR-AP provides a potential method for collecting pavement surface distress information that can supplement or substitute for currently adopted evaluation methods. Using roadway pavement sections located in the State of New Mexico as an example, this research explored the utility of aerial triangulation (AT technique and HSR-AP acquired from a low-altitude and low-cost small-unmanned aircraft system (S-UAS, in this case a tethered helium weather balloon, to permit characterization of detailed pavement surface distress conditions. The Wilcoxon Signed Rank test, Mann-Whitney U test, and visual comparison were used to compare detailed pavement surface distress rates measured from HSR-AP derived products (orthophotos and digital surface models generated from AT with reference distress rates manually collected on the ground using standard protocols. The results reveal that S-UAS based hyper-spatial resolution imaging and AT techniques can provide detailed and reliable primary observations suitable for characterizing detailed pavement surface distress conditions comparable to the ground-based manual measurement, which lays the foundation for the future application

III-V semiconductors for photoelectrochemical applications: surface preparation and characterization

Energy Technology Data Exchange (ETDEWEB)

Fertig, Dominic; Schaechner, Birgit; Calvet, Wofram; Kaiser, Bernhard; Jaegermann, Wolfram [TU Darmstadt, Fachbereich Materialwissenschaft, Fachgebiet Oberflaechenforschung (Germany)

2011-07-01

III-V semiconductors are promising reference systems for photoelectrochemical energy conversion. Therefore we have studied the influence of different acids and acidic solutions on the etching of p-doped gallium-arsenide and gallium-phosphide single crystal surfaces. From our experiments we conclude, that etching with HCl and subsequent annealing up to 450 C gives the best results for the removal of the carbonates and the oxides without affecting the quality of the sample. By treating the surfaces with ''piranha''-solution (H{sub 2}SO{sub 4}:H{sub 2}O{sub 2}:H{sub 2}O/7:2:1), the creation of an oxide layer with well defined thickness can be achieved. For the creation of an efficient photoelectrochemical cell, Pt nanoparticles have been deposited from solution. These surfaces are then characterized by photoelectron spectroscopy and AFM. Further electrochemical measurements try to correlate the effect of the surface cleaning and the Pt deposition on the photoactivity of the GaAs- and GaP-semiconductors.

Characterization of iron surface modified by 2-mercaptobenzothiazole self-assembled monolayers

Energy Technology Data Exchange (ETDEWEB)

Feng Yuanyuan [Department of Chemistry, Shandong University, Jinan 250100 (China); Chen Shenhao [Department of Chemistry, Shandong University, Jinan 250100 (China) and State Key Laboratory for Corrosion and Protection, Shenyang 110016 (China)]. E-mail: shchen@sdu.edu.cn; Zhang Honglin [Department of Chemistry, Qufu Normal University, Qufu 273165 (China); Li Ping [Department of Chemistry, Shandong University, Jinan 250100 (China); Wu Ling [Department of Chemistry, Shandong University, Jinan 250100 (China); Guo Wenjuan [Department of Chemistry, Shandong University, Jinan 250100 (China)

2006-12-30

A self-assembled monolayer of 2-mercaptobenzothiazole (MBT) adsorbed on the iron surface was prepared. The films were characterized by electrochemical impedance spectroscopy (EIS), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared reflection spectroscopy (FT-IR) and scanning electron microscopy (SEM). Besides, the microcalorimetry method was utilized to study the self-assembled process on iron surface and the adsorption mechanism was discussed from the power-time curve. The results indicated that MBT was able to form a film spontaneously on iron surface and the presence of it could protect iron from corrosion effectively. However, the assembling time and the concentration influence the protection efficiency. Quantum chemical calculations, according to which adsorption mechanism was discussed, could explain the experimental results to some extent.

A surface code quantum computer in silicon

Science.gov (United States)

Hill, Charles D.; Peretz, Eldad; Hile, Samuel J.; House, Matthew G.; Fuechsle, Martin; Rogge, Sven; Simmons, Michelle Y.; Hollenberg, Lloyd C. L.

2015-01-01

The exceptionally long quantum coherence times of phosphorus donor nuclear spin qubits in silicon, coupled with the proven scalability of silicon-based nano-electronics, make them attractive candidates for large-scale quantum computing. However, the high threshold of topological quantum error correction can only be captured in a two-dimensional array of qubits operating synchronously and in parallel—posing formidable fabrication and control challenges. We present an architecture that addresses these problems through a novel shared-control paradigm that is particularly suited to the natural uniformity of the phosphorus donor nuclear spin qubit states and electronic confinement. The architecture comprises a two-dimensional lattice of donor qubits sandwiched between two vertically separated control layers forming a mutually perpendicular crisscross gate array. Shared-control lines facilitate loading/unloading of single electrons to specific donors, thereby activating multiple qubits in parallel across the array on which the required operations for surface code quantum error correction are carried out by global spin control. The complexities of independent qubit control, wave function engineering, and ad hoc quantum interconnects are explicitly avoided. With many of the basic elements of fabrication and control based on demonstrated techniques and with simulated quantum operation below the surface code error threshold, the architecture represents a new pathway for large-scale quantum information processing in silicon and potentially in other qubit systems where uniformity can be exploited. PMID:26601310

A surface code quantum computer in silicon.

Science.gov (United States)

Hill, Charles D; Peretz, Eldad; Hile, Samuel J; House, Matthew G; Fuechsle, Martin; Rogge, Sven; Simmons, Michelle Y; Hollenberg, Lloyd C L

2015-10-01

The exceptionally long quantum coherence times of phosphorus donor nuclear spin qubits in silicon, coupled with the proven scalability of silicon-based nano-electronics, make them attractive candidates for large-scale quantum computing. However, the high threshold of topological quantum error correction can only be captured in a two-dimensional array of qubits operating synchronously and in parallel-posing formidable fabrication and control challenges. We present an architecture that addresses these problems through a novel shared-control paradigm that is particularly suited to the natural uniformity of the phosphorus donor nuclear spin qubit states and electronic confinement. The architecture comprises a two-dimensional lattice of donor qubits sandwiched between two vertically separated control layers forming a mutually perpendicular crisscross gate array. Shared-control lines facilitate loading/unloading of single electrons to specific donors, thereby activating multiple qubits in parallel across the array on which the required operations for surface code quantum error correction are carried out by global spin control. The complexities of independent qubit control, wave function engineering, and ad hoc quantum interconnects are explicitly avoided. With many of the basic elements of fabrication and control based on demonstrated techniques and with simulated quantum operation below the surface code error threshold, the architecture represents a new pathway for large-scale quantum information processing in silicon and potentially in other qubit systems where uniformity can be exploited.

Characterization of metal additive manufacturing surfaces using synchrotron X-ray CT and micromechanical modeling

Science.gov (United States)

Kantzos, C. A.; Cunningham, R. W.; Tari, V.; Rollett, A. D.

2018-05-01

Characterizing complex surface topologies is necessary to understand stress concentrations created by rough surfaces, particularly those made via laser power-bed additive manufacturing (AM). Synchrotron-based X-ray microtomography (μ XCT) of AM surfaces was shown to provide high resolution detail of surface features and near-surface porosity. Using the CT reconstructions to instantiate a micromechanical model indicated that surface notches and near-surface porosity both act as stress concentrators, while adhered powder carried little to no load. Differences in powder size distribution had no direct effect on the relevant surface features, nor on stress concentrations. Conventional measurements of surface roughness, which are highly influenced by adhered powder, are therefore unlikely to contain the information relevant to damage accumulation and crack initiation.

A new systematic and quantitative approach to characterization of surface nanostructures using fuzzy logic

Science.gov (United States)

Al-Mousa, Amjed A.

Thin films are essential constituents of modern electronic devices and have a multitude of applications in such devices. The impact of the surface morphology of thin films on the device characteristics where these films are used has generated substantial attention to advanced film characterization techniques. In this work, we present a new approach to characterize surface nanostructures of thin films by focusing on isolating nanostructures and extracting quantitative information, such as the shape and size of the structures. This methodology is applicable to any Scanning Probe Microscopy (SPM) data, such as Atomic Force Microscopy (AFM) data which we are presenting here. The methodology starts by compensating the AFM data for some specific classes of measurement artifacts. After that, the methodology employs two distinct techniques. The first, which we call the overlay technique, proceeds by systematically processing the raster data that constitute the scanning probe image in both vertical and horizontal directions. It then proceeds by classifying points in each direction separately. Finally, the results from both the horizontal and the vertical subsets are overlaid, where a final decision on each surface point is made. The second technique, based on fuzzy logic, relies on a Fuzzy Inference Engine (FIE) to classify the surface points. Once classified, these points are clustered into surface structures. The latter technique also includes a mechanism which can consistently distinguish crowded surfaces from those with sparsely distributed structures and then tune the fuzzy technique system uniquely for that surface. Both techniques have been applied to characterize organic semiconductor thin films of pentacene on different substrates. Also, we present a case study to demonstrate the effectiveness of our methodology to identify quantitatively particle sizes of two specimens of gold nanoparticles of different nominal dimensions dispersed on a mica surface. A comparison

Self-cleaning Foliar Surfaces Characterization using RIMAPS Technique and Variogram Method

International Nuclear Information System (INIS)

Rosi, Pablo E.

2002-01-01

Along the last ten years many important studies about characterization of self-cleaning foliar surfaces have been done and focused new interest on this kind of surfaces.These studies were possible due to the development of a novel preparation technique for this biological material that let us observe the delicate structures of a foliar surface under scanning electron microscope (S.E.M.).This technique consists of replacing the natural water of the specimen by glycerol. Digital S.E.M. images from both self-cleaning and non-self-cleaning foliar surfaces were obtained and analyzed using RIMAPS technique and Variograms method. Our results revealed the existence of a common and exclusive geometrical pattern that is found in species which present self-cleaning foliar surfaces.This pattern combines at least nine different directions.The results from the Variograms method showed that the stomata play a key role in the determination of foliar surface roughness. In addition, spectra from RIMAPS technique constitute a fingerprint of a foliar surface so they can be used to find evolutionary relationships among species.Further studies will provide more detailed information to fully elucidate the self-cleaning pattern, so it might be possible to reproduce it on an artificial surface and make it self-cleaning

Speckle noise reduction for computer generated holograms of objects with diffuse surfaces

Science.gov (United States)

Symeonidou, Athanasia; Blinder, David; Ahar, Ayyoub; Schretter, Colas; Munteanu, Adrian; Schelkens, Peter

2016-04-01

Digital holography is mainly used today for metrology and microscopic imaging and is emerging as an important potential technology for future holographic television. To generate the holographic content, computer-generated holography (CGH) techniques convert geometric descriptions of a 3D scene content. To model different surface types, an accurate model of light propagation has to be considered, including for example, specular and diffuse reflection. In previous work, we proposed a fast CGH method for point cloud data using multiple wavefront recording planes, look-up tables (LUTs) and occlusion processing. This work extends our method to account for diffuse reflections, enabling rendering of deep 3D scenes in high resolution with wide viewing angle support. This is achieved by modifying the spectral response of the light propagation kernels contained by the look-up tables. However, holograms encoding diffuse reflective surfaces depict significant amounts of speckle noise, a problem inherent to holography. Hence, techniques to improve the reduce speckle noise are evaluated in this paper. Moreover, we propose as well a technique to suppress the aperture diffraction during numerical, viewdependent rendering by apodizing the hologram. Results are compared visually and in terms of their respective computational efficiency. The experiments show that by modelling diffuse reflection in the LUTs, a more realistic yet computationally efficient framework for generating high-resolution CGH is achieved.

Surface characterization of polyethylene terephthalate films treated by ammonia low-temperature plasma

International Nuclear Information System (INIS)

Zheng Zhiwen; Ren Li; Feng Wenjiang; Zhai Zhichen; Wang Yingjun

2012-01-01

In order to study the surface characterization and protein adhesion behavior of polyethylene terephthalate film, low temperature ammonia plasma was used to modify the film. Effects of plasma conditions of the surface structures and properties were investigated. Results indicated that surface hydrophilicity of polyethylene terephthalate was significantly improved by ammonia plasma treatment. Ammonia plasma played the role more important than air treatment in the process of modification. Furthermore, by Fourier Transform Infrared spectra some new bonds such as -N=O and N-H which could result in the improvement of the surface hydrophilicity were successfully grafted on the film surface. Atom force microscope experiments indicated that more protein adsorbed on hydrophobic surfaces than hydrophilic ones, and the blobs arranged in a straight line at etching surface by plasma. Modified membrane after ammonia plasma treatment had a good cell affinity and could be effective in promoting the adhesion and growth of cells on the material surface. Timeliness experiments showed that the plasma treatment gave the material a certain performance only in a short period of time and the hydrophobicity recovered after 12 days.

Statistical analysis of surface lineaments and fractures for characterizing naturally fractured reservoirs

Energy Technology Data Exchange (ETDEWEB)

Guo, Genliang; George, S.A.; Lindsey, R.P.

1997-08-01

Thirty-six sets of surface lineaments and fractures mapped from satellite images and/or aerial photos from parts of the Mid-continent and Colorado Plateau regions were collected, digitized, and statistically analyzed in order to obtain the probability distribution functions of natural fractures for characterizing naturally fractured reservoirs. The orientations and lengths of the surface linear features were calculated using the digitized coordinates of the two end points of each individual linear feature. The spacing data of the surface linear features within an individual set were, obtained using a new analytical sampling technique. Statistical analyses were then performed to find the best-fit probability distribution functions for the orientation, length, and spacing of each data set. Twenty-five hypothesized probability distribution functions were used to fit each data set. A chi-square goodness-of-fit test was used to rank the significance of each fit. A distribution which provides the lowest chi-square goodness-of-fit value was considered the best-fit distribution. The orientations of surface linear features were best-fitted by triangular, normal, or logistic distributions; the lengths were best-fitted by PearsonVI, PearsonV, lognormal2, or extreme-value distributions; and the spacing data were best-fitted by lognormal2, PearsonVI, or lognormal distributions. These probability functions can be used to stochastically characterize naturally fractured reservoirs.

Mechanical Characterization of Nanoporous Thin Films by Nanoindentation and Laser-induced Surface Acoustic Waves

Science.gov (United States)

Chow, Gabriel

wavelengths are micrometers in scale whereas indentation depths are usually confined to the nanometer scale. This dissertation demonstrates the effectiveness of LiSAW on both thin porous layers and rough surfaces and shows the challenges faced by nanoindentation on the same films. Zeolite thin films are studied extensively in this work as a model system because of their porous crystalline framework and enormous economic market. Many types of zeolite exist and their widely varying structures and levels of porosity present a unique opportunity for mechanical characterization. For a fully dense ZSM-5 type zeolite with wear and corrosion resistance properties, nanoindentation was used to compare its mechanical properties to industrial chromium and cadmium films. Through tribological and indentation tests, it was shown that the zeolite film possesses exceptional resilience and hardness therefore demonstrating superior wear resistance to chromium and cadmium. This also highlighted the quality of nanoindentation measurements on thick dense layers where traditional nanoindentation excels. Nanoindentation was then performed on porous and non-porous MFI zeolite films with low-k (low dielectric constant) properties. These films were softer and much thinner than the ZSM-5 coatings resulting in significant substrate effects, evidenced by inflation of the measurements from the hard silicon substrate, during indentation. Such effects were avoided with the LiSAW technique on the same films where properties were readily extracted without complications. An alternative indentation analysis method was demonstrated to produce accurate mechanical measurements in line with the LiSAW results, but the non-traditional technique requires substantial computational intensity. Thus LiSAW was proven to be an accurate and efficient means of mechanical characterization for thin porous layers. The case for LiSAW was further supported by utilizing the technique on a porous nanostructured V2O5 electrode film

Recycling of WEEE: Characterization of spent printed circuit boards from mobile phones and computers

International Nuclear Information System (INIS)

Yamane, Luciana Harue; Tavares de Moraes, Viviane; Crocce Romano Espinosa, Denise; Soares Tenorio, Jorge Alberto

2011-01-01

Highlights: → This paper presents new and important data on characterization of wastes of electric and electronic equipments. → Copper concentration is increasing in mobile phones and remaining constant in personal computers. → Printed circuit boards from mobile phones and computers would not be mixed prior treatment. - Abstract: This paper presents a comparison between printed circuit boards from computers and mobile phones. Since printed circuits boards are becoming more complex and smaller, the amount of materials is constantly changing. The main objective of this work was to characterize spent printed circuit boards from computers and mobile phones applying mineral processing technique to separate the metal, ceramic, and polymer fractions. The processing was performed by comminution in a hammer mill, followed by particle size analysis, and by magnetic and electrostatic separation. Aqua regia leaching, loss-on-ignition and chemical analysis (inductively coupled plasma atomic emission spectroscopy - ICP-OES) were carried out to determine the composition of printed circuit boards and the metal rich fraction. The composition of the studied mobile phones printed circuit boards (PCB-MP) was 63 wt.% metals; 24 wt.% ceramics and 13 wt.% polymers; and of the printed circuit boards from studied personal computers (PCB-PC) was 45 wt.% metals; 27 wt.% polymers and ceramics 28 wt.% ceramics. The chemical analysis showed that copper concentration in printed circuit boards from personal computers was 20 wt.% and in printed circuit boards from mobile phones was 34.5 wt.%. According to the characteristics of each type of printed circuit board, the recovery of precious metals may be the main goal of the recycling process of printed circuit boards from personal computers and the recovery of copper should be the main goal of the recycling process of printed circuit boards from mobile phones. Hence, these printed circuit boards would not be mixed prior treatment. The results

Synthesis, Characterization, Topographical Modification, and Surface Properties of Copoly(Imide Siloxane)s

Science.gov (United States)

Wohl, Christopher J.; Atkins, Brad M.; Belcher, Marcus A.; Connell, John W.

2012-01-01

Novel copoly(imide siloxane)s were synthesized from commercially available aminopropyl terminated siloxane oligomers, aromatic dianhydrides, and diamines. This synthetic approach produced copolymers with well-defined siloxane blocks linked with imide units in a random fashion. The copoly(amide acid)s were characterized by solution viscosity and subsequently used to cast thin films followed by thermal imidization in an inert atmosphere. Thin films were characterized using contact angle goniometry, attenuated total reflection Fourier transform infrared spectroscopy, confocal and optical microscopy, and tensile testing. Adhesion of micronsized particles was determined quantitatively using a sonication device. The polydimethylsiloxane (PDMS) moieties lowered the copolymer surface energy due to migration of siloxane moieties to the film s surface, resulting in a notable reduction in particle adhesion. A further reduction in particle adhesion was achieved by introducing topographical features on a scale of several to tens of microns by a laser ablation technique.

Morpho-chemical characterization and surface properties of carcinogenic zeolite fibers.

Science.gov (United States)

Mattioli, Michele; Giordani, Matteo; Dogan, Meral; Cangiotti, Michela; Avella, Giuseppe; Giorgi, Rodorico; Dogan, A Umran; Ottaviani, Maria Francesca

2016-04-05

Erionite belonging to the zeolite family is a human health-hazard, since it was demonstrated to be carcinogenic. Conversely, offretite family zeolites were suspected carcinogenic. Mineralogical, morphological, chemical, and surface characterizations were performed on two erionites (GF1, MD8) and one offretite (BV12) fibrous samples and, for comparison, one scolecite (SC1) sample. The specific surface area analysis indicated a larger availability of surface sites for the adsorption onto GF1, while SC1 shows the lowest one and the presence of large pores in the poorly fibrous zeolite aggregates. Selected spin probes revealed a high adsorption capacity of GF1 compared to the other zeolites, but the polar/charged interacting sites were well distributed, intercalated by less polar sites (Si-O-Si). MD8 surface is less homogeneous and the polar/charged sites are more interacting and closer to each other compared to GF1. The interacting ability of BV12 surface is much lower than that found for GF1 and MD8 and the probes are trapped in small pores into the fibrous aggregates. In comparison with the other zeolites, the non-carcinogenic SC1 shows a poor interacting ability and a lower surface polarity. These results helped to clarify the chemical properties and the surface interacting ability of these zeolite fibers which may be related to their carcinogenicity. Copyright © 2015 Elsevier B.V. All rights reserved.

Study of measurement methods of ultrafine aerosols surface-area for characterizing occupational exposure

International Nuclear Information System (INIS)

Bau, S.

2008-12-01

This work aims at improving knowledge on ultrafine aerosols surface-area measurement. Indeed, the development of nano-technologies may lead to occupational exposure to airborne nano-structured particles, which involves a new prevention issue. There is currently no consensus concerning what parameter (mass, surface-area, number) should be measured. However, surface-area could be a relevant metric, since it leads to a satisfying correlation with biological effects when nano-structured particles are inhaled. Hence, an original theoretical work was performed to position the parameter of surface-area in relation to other aerosol characteristics. To investigate measurement techniques of nano-structured aerosols surface-area, the experimental facility CAIMAN (Characterization of Instruments for the Measurement of Aerosols of Nano-particles) was designed and built. Within CAIMAN, it is possible to produce nano-structured aerosols with varying and controlled properties (size, concentration, chemical nature, morphology, state-of-charge), stable and reproducible in time. The generated aerosols were used to experimentally characterize the response of the instruments in study (NSAM and AeroTrak 9000 TSI, LQ1-DC Matter Engineering). The response functions measured with monodisperse aerosols show a good agreement with the corresponding theoretical curves in a large size range, from 15 to 520 nm. Furthermore, hypotheses have been formulated to explain the reasonable biases observed when measuring poly-disperse aerosols. (author)

Characterizing bars in low surface brightness disc galaxies

Science.gov (United States)

Peters, Wesley; Kuzio de Naray, Rachel

2018-05-01

In this paper, we use B-band, I-band, and 3.6 μm azimuthal light profiles of four low surface brightness galaxies (LSBs; UGC 628, F568-1, F568-3, F563-V2) to characterize three bar parameters: length, strength, and corotation radius. We employ three techniques to measure the radius of the bars, including a new method using the azimuthal light profiles. We find comparable bar radii between the I-band and 3.6 μm for all four galaxies when using our azimuthal light profile method, and that our bar lengths are comparable to those in high surface brightness galaxies (HSBs). In addition, we find the bar strengths for our galaxies to be smaller than those for HSBs. Finally, we use Fourier transforms of the B-band, I-band, and 3.6 μm images to characterize the bars as either `fast' or `slow' by measuring the corotation radius via phase profiles. When using the B- and I-band phase crossings, we find three of our galaxies have faster than expected relative bar pattern speeds for galaxies expected to be embedded in centrally dense cold dark matter haloes. When using the B-band and 3.6 μm phase crossings, we find more ambiguous results, although the relative bar pattern speeds are still faster than expected. Since we find a very slow bar in F563-V2, we are confident that we are able to differentiate between fast and slow bars. Finally, we find no relation between bar strength and relative bar pattern speed when comparing our LSBs to HSBs.

Computation of 3D steady Navier-Stokes flow with free-surface gravity waves

NARCIS (Netherlands)

Lewis, M.R.; Koren, B.; Raven, H.C.; Armfield, S.; Morgan, P.; Srinivas, K,

2003-01-01

In this paper an iterative method for the computation of stationary gravity-wave solutions is investigated, using a novel formulation of the free-surface (FS) boundary-value problem. This method requires the solution of a sequence of stationary Reynolds-Averaged Navier-Stokes subproblems employing

Computation of 3D steady Navier-Stokes flow with free-surface gravity waves

NARCIS (Netherlands)

M.R. Lewis; B. Koren (Barry); H.C. Raven

2003-01-01

textabstractIn this paper an iterative method for the computation of stationary gravity-wave solutions is investigated, using a novel formulation of the free-surface (FS) boundary-value problem. This method requires the solution of a sequence of stationary Reynolds-Averaged Navier-Stokes subproblems

An efficient approach for computing the geometrical optics field reflected from a numerically specified surface

Science.gov (United States)

Mittra, R.; Rushdi, A.

1979-01-01

An approach for computing the geometrical optic fields reflected from a numerically specified surface is presented. The approach includes the step of deriving a specular point and begins with computing the reflected rays off the surface at the points where their coordinates, as well as the partial derivatives (or equivalently, the direction of the normal), are numerically specified. Then, a cluster of three adjacent rays are chosen to define a 'mean ray' and the divergence factor associated with this mean ray. Finally, the ampilitude, phase, and vector direction of the reflected field at a given observation point are derived by associating this point with the nearest mean ray and determining its position relative to such a ray.

A computer vision system for rapid search inspired by surface-based attention mechanisms from human perception.

Science.gov (United States)

Mohr, Johannes; Park, Jong-Han; Obermayer, Klaus

2014-12-01

Humans are highly efficient at visual search tasks by focusing selective attention on a small but relevant region of a visual scene. Recent results from biological vision suggest that surfaces of distinct physical objects form the basic units of this attentional process. The aim of this paper is to demonstrate how such surface-based attention mechanisms can speed up a computer vision system for visual search. The system uses fast perceptual grouping of depth cues to represent the visual world at the level of surfaces. This representation is stored in short-term memory and updated over time. A top-down guided attention mechanism sequentially selects one of the surfaces for detailed inspection by a recognition module. We show that the proposed attention framework requires little computational overhead (about 11 ms), but enables the system to operate in real-time and leads to a substantial increase in search efficiency. Copyright © 2014 Elsevier Ltd. All rights reserved.

Characterization of SCC crack tips and surface oxide layers in alloy 600

Energy Technology Data Exchange (ETDEWEB)

Fujii, Katsuhiko; Fukuya, Koji [Inst. of Nuclear Safety System Inc., Mihama, Fukui (Japan)

2002-09-01

In order to investigate the mechanism of primary water stress corrosion cracking (SCC), direct observation of microstructures of SCC crack tips and surface oxide layers in alloy 600 were carried out. A focused-ion beam (FIB) micro-processing technique was applied to prepare electron transparent foils including the crack tip and the surface oxide layer without any damage to those microstructures. Transmission electron microscopy and analysis were used to characterize the crack tips and surface oxide layers. Cr-rich oxides and a metal-Ni phase were identified in the crack tips and grain boundaries ahead of the crack tips independent of dissolved hydrogen concentrations. >From the fact that the Cr-rich oxides and metal-Ni phase were observed in the inner surface oxide layer, the same oxidation mechanism as the surface is proposed for the crack tip region and internal oxidation accompanying selective Cr oxidation is suggested as the mechanism. (author)

Comparison of optical methods for surface roughness characterization

International Nuclear Information System (INIS)

Feidenhans’l, Nikolaj A; Hansen, Poul-Erik; Madsen, Morten H; Petersen, Jan C; Pilný, Lukáš; Bissacco, Giuliano; Taboryski, Rafael

2015-01-01

We report a study of the correlation between three optical methods for characterizing surface roughness: a laboratory scatterometer measuring the bi-directional reflection distribution function (BRDF instrument), a simple commercial scatterometer (rBRDF instrument), and a confocal optical profiler. For each instrument, the effective range of spatial surface wavelengths is determined, and the common bandwidth used when comparing the evaluated roughness parameters. The compared roughness parameters are: the root-mean-square (RMS) profile deviation (Rq), the RMS profile slope (Rdq), and the variance of the scattering angle distribution (Aq). The twenty-two investigated samples were manufactured with several methods in order to obtain a suitable diversity of roughness patterns.Our study shows a one-to-one correlation of both the Rq and the Rdq roughness values when obtained with the BRDF and the confocal instruments, if the common bandwidth is applied. Likewise, a correlation is observed when determining the Aq value with the BRDF and the rBRDF instruments.Furthermore, we show that it is possible to determine the Rq value from the Aq value, by applying a simple transfer function derived from the instrument comparisons. The presented method is validated for surfaces with predominantly 1D roughness, i.e. consisting of parallel grooves of various periods, and a reflectance similar to stainless steel. The Rq values are predicted with an accuracy of 38% at the 95% confidence interval. (paper)

Recent Developments in Computed Tomography for Urolithiasis: Diagnosis and Characterization

Directory of Open Access Journals (Sweden)

P. D. Mc Laughlin

2012-01-01

Full Text Available Objective. To critically evaluate the current literature in an effort to establish the current role of radiologic imaging, advances in computed tomography (CT and standard film radiography in the diagnosis, and characterization of urinary tract calculi. Conclusion. CT has a valuable role when utilized prudently during surveillance of patients following endourological therapy. In this paper, we outline the basic principles relating to the effects of exposure to ionizing radiation as a result of CT scanning. We discuss the current developments in low-dose CT technology, which have resulted in significant reductions in CT radiation doses (to approximately one-third of what they were a decade ago while preserving image quality. Finally, we will discuss an important recent development now commercially available on the latest generation of CT scanners, namely, dual energy imaging, which is showing promise in urinary tract imaging as a means of characterizing the composition of urinary tract calculi.

Surface characterization of retinal tissues for the enhancement of vitreoretinal surgical methods

Science.gov (United States)

Valentin-Rodriguez, Celimar

Diabetic retinopathy is the most common ophthalmic complication of diabetes and the leading cause of blindness among adults, ages 30 to 70. Surgery to remove scar tissue in the eye is the only corrective treatment once the retina is affected. Visual recovery is often hampered by retinal trauma during surgery and by low patient compliance. Our work in this project aimed to improve vitreoretinal surgical methods from information gathered by sensitive surface analysis of pre-retinal tissues found at the vitreoretinal interface. Atomic force microscopy characterization of human retinal tissues revealed that surgically excised inner limiting membrane (ILM) has a heterogeneous surface and is mainly composed of globular and fibrous structures. ILM tissues also show low adhesion for clean unmodified surfaces as opposed to those with functional groups attractive to those on the ILM surface, due to their charge. Based on these observations, layer-by-layer films with embedded gold nanoparticles with a positive outer charge were designed. These modifications increased the adhesion between surgical instruments and ILM by increasing the roughness and tuning the film surface charge. These films proved to be stable under physiological conditions. Finally, the effect of vital dyes on the topographical characteristics of ILMs was characterized and new imaging modes to further reveal ILM topography were utilized. Roughness and adhesion force data suggest that second generation dyes have no effect on the surface nanostructure of ILMs, but increase adhesion at the tip sample interface. This project clearly illustrates that physicochemical information from tissues can be used to rationally re-design surgical procedures, in this case for tissue removal purposes. This rational design method can be applied to other soft tissue excision procedures as is the case of cataract surgery or laparoscopic removal of endometrial tissue.

Effectiveness of computed tomography attenuation values in characterization of pericardial effusion.

Science.gov (United States)

Çetin, Mehmet Serkan; Özcan Çetin, Elif Hande; Özdemir, Mustafa; Topaloğlu, Serkan; Aras, Dursun; Temizhan, Ahmet; Aydoğdu, Sinan

2017-04-01

The aim of this study was to evaluate the effectiveness of computed tomography (CT) attenuation values in the characterization of pericardial effusion. This study consisted of 96 patients with pericardial effusion who underwent pericardiocentesis. For further diagnostic evaluation of pericardial effusion, all the patients were assessed by thorax CT. CT attenuation values were measured from at least 5 different areas of pericardial fluid by specifying the largest region of interest. The average of these measurements was computed and considered as the CT attenuation value of the patient. The patients were classified into two groups: patients with transudative pericardial effusion and those with exudative pericardial effusion. CT attenuation values were significantly higher in patients with exudative pericardial effusion than in those with transudative pericardial effusion [14.85±10.7 Hounsfield unit (HU) vs. 1.13±4.3 HU, peffusion. In addition, a cut-off value of 6.5 HU had 71.4% sensitivity and 72.3% specificity for the prediction of cardiac tamponade. In patients with pericardial effusion, CT attenuation values seem to be correlated with the characterization parameters of the fluid and may distinguish exudative pericardial effusion from transudative pericardial effusion. This parameter was also found to be a predictor of cardiac tamponade. CT attenuation values can be a useful tool in the clinical evaluation of patients with pericardial effusion.

Solid-phase microextraction/gas chromatography-mass spectrometry method optimization for characterization of surface adsorption forces of nanoparticles.

Science.gov (United States)

Omanovic-Miklicanin, Enisa; Valzacchi, Sandro; Simoneau, Catherine; Gilliland, Douglas; Rossi, Francois

2014-10-01

A complete characterization of the different physico-chemical properties of nanoparticles (NPs) is necessary for the evaluation of their impact on health and environment. Among these properties, the surface characterization of the nanomaterial is the least developed and in many cases limited to the measurement of surface composition and zetapotential. The biological surface adsorption index approach (BSAI) for characterization of surface adsorption properties of NPs has recently been introduced (Xia et al. Nat Nanotechnol 5:671-675, 2010; Xia et al. ACS Nano 5(11):9074-9081, 2011). The BSAI approach offers in principle the possibility to characterize the different interaction forces exerted between a NP's surface and an organic--and by extension biological--entity. The present work further develops the BSAI approach and optimizes a solid-phase microextraction gas chromatography-mass spectrometry (SPME/GC-MS) method which, as an outcome, gives a better-defined quantification of the adsorption properties on NPs. We investigated the various aspects of the SPME/GC-MS method, including kinetics of adsorption of probe compounds on SPME fiber, kinetic of adsorption of probe compounds on NP's surface, and optimization of NP's concentration. The optimized conditions were then tested on 33 probe compounds and on Au NPs (15 nm) and SiO2 NPs (50 nm). The procedure allowed the identification of three compounds adsorbed by silica NPs and nine compounds by Au NPs, with equilibrium times which varied between 30 min and 12 h. Adsorption coefficients of 4.66 ± 0.23 and 4.44 ± 0.26 were calculated for 1-methylnaphtalene and biphenyl, compared to literature values of 4.89 and 5.18, respectively. The results demonstrated that the detailed optimization of the SPME/GC-MS method under various conditions is a critical factor and a prerequisite to the application of the BSAI approach as a tool to characterize surface adsorption properties of NPs and therefore to draw any further

Characterization of chemical composition, surface area pore, and thermal properties of zeolites from Bayah, Tasikmalaya, and Lampung

International Nuclear Information System (INIS)

Ginting, Aslina Br.; Dian Anggraini; Sutri Indaryati; Rosika Kriswarini

2007-01-01

Characterization of chemical composition, surface area, pore radius, adsorption, and thermal properties of zeolites from Bayah, Tasikmalaya, and Lampung have been performed. The purpose of the characterization is to understand the characteristics of the three zeolites since different types of zeolite will yield different chemical composition, surface area, pore radius, and adsorption. The analysis shows that zeolites from Bayah, Tasikmalaya, and Lampung consist of chemical elements Al, Si, P, K, Ca, Ti, Fe, and S. The analysis of the surface area indicates that zeolite from Lampung has surface area of 10.0477 m 2 , pore radius of 16.0653 Å, and adsorption of 24.500 ml/g, which are greater than those of zeolite from Tasikmalaya with surface area of 6.3319 m2, pore radius of 16.2350 Å, adsorption of 13.2500 ml/g, zeolite from Bayah with surface area of 8.3528 m2, pore radius of 16.2350 Å, and adsorption of 13.250 ml/g. From of the thermal properties characterization it is shown the three zeolites experienced weight reduction from 5.93% to 8.33%, which results in the formation of new phases as indicated by endothermic reactions from 150 °C to 600 °C and from 850 °C to 1000 °C. The three zeolites experienced a decrease in heat capacity up to temperature of 199.96 °C, whereas at temperatures above 216.66 °C the zeolites experienced an increase in heat capacity up to 437.78 °C. The results of the characterization indicate that different types of zeolite do not yield significant difference in chemical composition and thermal characteristics as proven with F test, however different surface area, pore radius, and adsorption characteristics are observed. The characterization results are expected to be the first step in determining the characteristics of the three zeolites that are to be used for cesium ion exchange in the incoming research. (author)

Experimental and computational studies of positron-stimulated ion desorption from TiO2(1 1 0) surface

Science.gov (United States)

Yamashita, T.; Hagiwara, S.; Tachibana, T.; Watanabe, K.; Nagashima, Y.

2017-11-01

Experimental and computational studies of the positron-stimulated O+ ion desorption process from a TiO2(1 1 0) surface are reported. The measured data indicate that the O+ ion yields depend on the positron incident energy in the energy range between 0.5 keV and 15 keV. This dependence is closely related to the fraction of positrons which diffuse back to the surface after thermalization in the bulk. Based on the experimental and computational results, we conclude that the ion desorption via positron-stimulation occurs dominantly by the annihilation of surface-trapped positrons with core electrons of the topmost surface atoms.

Surface-treated commercially pure titanium for biomedical applications: Electrochemical, structural, mechanical and chemical characterizations

International Nuclear Information System (INIS)

Ogawa, Erika S.; Matos, Adaias O.; Beline, Thamara; Marques, Isabella S.V.; Sukotjo, Cortino; Mathew, Mathew T.; Rangel, Elidiane C.; Cruz, Nilson C.; Mesquita, Marcelo F.; Consani, Rafael X.

2016-01-01

Modified surfaces have improved the biological performance and biomechanical fixation of dental implants compared to machined (polished) surfaces. However, there is a lack of knowledge about the surface properties of titanium (Ti) as a function of different surface treatment. This study investigated the role of surface treatments on the electrochemical, structural, mechanical and chemical properties of commercial pure titanium (cp-Ti) under different electrolytes. Cp-Ti discs were divided into 6 groups (n = 5): machined (M—control); etched with HCl + H_2O_2 (Cl), H_2SO_4 + H_2O_2 (S); sandblasted with Al_2O_3 (Sb), Al_2O_3 followed by HCl + H_2O_2 (SbCl), and Al_2O_3 followed by H_2SO_4 + H_2O_2 (SbS). Electrochemical tests were conducted in artificial saliva (pHs 3; 6.5 and 9) and simulated body fluid (SBF—pH 7.4). All surfaces were characterized before and after corrosion tests using atomic force microscopy, scanning electron microscopy, energy dispersive microscopy, X-ray diffraction, surface roughness, Vickers microhardness and surface free energy. The results indicated that Cl group exhibited the highest polarization resistance (R_p) and the lowest capacitance (Q) and corrosion current density (I_c_o_r_r) values. Reduced corrosion stability was noted for the sandblasted groups. Acidic artificial saliva decreased the R_p values of cp-Ti surfaces and produced the highest I_c_o_r_r values. Also, the surface treatment and corrosion process influenced the surface roughness, Vickers microhardness and surface free energy. Based on these results, it can be concluded that acid-etching treatment improved the electrochemical stability of cp-Ti and all treated surfaces behaved negatively in acidic artificial saliva. - Highlights: • Characterization of surface treatment for biomedical implants was investigated. • Sandblasting reduced the corrosion stability of cp-Ti. • Acid etching is a promising dental implants surface treatment.

Surface-treated commercially pure titanium for biomedical applications: Electrochemical, structural, mechanical and chemical characterizations

Energy Technology Data Exchange (ETDEWEB)

Ogawa, Erika S.; Matos, Adaias O.; Beline, Thamara [Department of Prosthodontics and Periodontology, Piracicaba Dental School, University of Campinas (UNICAMP), Av Limeira, 901, Piracicaba, São Paulo 13414-903 (Brazil); IBTN/Br—Institute of Biomaterials, Tribocorrosion and Nanomedicine—Brazilian Branch (Brazil); Marques, Isabella S.V. [Department of Prosthodontics and Periodontology, Piracicaba Dental School, University of Campinas (UNICAMP), Av Limeira, 901, Piracicaba, São Paulo 13414-903 (Brazil); Sukotjo, Cortino [Department of Restorative Dentistry, University of Illinois at Chicago, College of Dentistry, 801 S Paulina, Chicago, IL, USA, 60612 (United States); IBTN—Institute of Biomaterials, Tribocorrosion and Nanomedicine (United States); Mathew, Mathew T. [IBTN—Institute of Biomaterials, Tribocorrosion and Nanomedicine (United States); Department of Biomedical Sciences, University of Illinois, College of Medicine at Rockford, 1601 Parkview Avenue, Rockford, IL, USA, 61107 (United States); Rangel, Elidiane C.; Cruz, Nilson C. [IBTN/Br—Institute of Biomaterials, Tribocorrosion and Nanomedicine—Brazilian Branch (Brazil); Laboratory of Technological Plasmas, Engineering College, Univ Estadual Paulista (UNESP), Av Três de Março, 511, Sorocaba, São Paulo 18087-180 (Brazil); Mesquita, Marcelo F.; Consani, Rafael X. [Department of Prosthodontics and Periodontology, Piracicaba Dental School, University of Campinas (UNICAMP), Av Limeira, 901, Piracicaba, São Paulo 13414-903 (Brazil); and others

2016-08-01

Modified surfaces have improved the biological performance and biomechanical fixation of dental implants compared to machined (polished) surfaces. However, there is a lack of knowledge about the surface properties of titanium (Ti) as a function of different surface treatment. This study investigated the role of surface treatments on the electrochemical, structural, mechanical and chemical properties of commercial pure titanium (cp-Ti) under different electrolytes. Cp-Ti discs were divided into 6 groups (n = 5): machined (M—control); etched with HCl + H{sub 2}O{sub 2} (Cl), H{sub 2}SO{sub 4} + H{sub 2}O{sub 2} (S); sandblasted with Al{sub 2}O{sub 3} (Sb), Al{sub 2}O{sub 3} followed by HCl + H{sub 2}O{sub 2} (SbCl), and Al{sub 2}O{sub 3} followed by H{sub 2}SO{sub 4} + H{sub 2}O{sub 2} (SbS). Electrochemical tests were conducted in artificial saliva (pHs 3; 6.5 and 9) and simulated body fluid (SBF—pH 7.4). All surfaces were characterized before and after corrosion tests using atomic force microscopy, scanning electron microscopy, energy dispersive microscopy, X-ray diffraction, surface roughness, Vickers microhardness and surface free energy. The results indicated that Cl group exhibited the highest polarization resistance (R{sub p}) and the lowest capacitance (Q) and corrosion current density (I{sub corr}) values. Reduced corrosion stability was noted for the sandblasted groups. Acidic artificial saliva decreased the R{sub p} values of cp-Ti surfaces and produced the highest I{sub corr} values. Also, the surface treatment and corrosion process influenced the surface roughness, Vickers microhardness and surface free energy. Based on these results, it can be concluded that acid-etching treatment improved the electrochemical stability of cp-Ti and all treated surfaces behaved negatively in acidic artificial saliva. - Highlights: • Characterization of surface treatment for biomedical implants was investigated. • Sandblasting reduced the corrosion stability of cp

SEM, Scanning Auger and XPS characterization of chemically pretreated Ti surfaces intended for biomedical applications

Energy Technology Data Exchange (ETDEWEB)

Pisarek, M. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland)], E-mail: marcinp@ichf.edu.pl; Lewandowska, M. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Roguska, A. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Kurzydlowski, K.J. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Janik-Czachor, M. [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland)

2007-07-15

Titanium is known as a biocompatible metal characterized by biological and corrosion immunity and good mechanical properties, including a high fracture toughness. In a variety of environments, this metal undergoes 'natural' oxidation which determine its resistance to corrosion. It can also be exposed to chemical treatments in acidic or alkaline solutions which 'enforces' chemical and morphological changes of Ti surface. Those methods, if well controlled, may increase the effective Ti surface area, making it more biocompatible. However, the morphological and chemical factors responsible for their interactions with biological cells are still not well known. The aim of this work was to compare surface chemical and morphological changes introduced by commonly used aqueous NaOH pretreatment with those occurring in a new 'piranha' acidic solution. Particular attention was paid to possible changes which may be decisive for the biocompatibility of the Ti-elements subjected to these surface modifications. Surface analytical techniques such as Auger electron spectroscopy (AES) or X-ray photoelectron spectroscopy (XPS) combined with Ar{sup +} ion sputtering allowed us to investigate in detail the chemical composition of Ti oxide layers. SEM examinations provided morphological characterization of the surface of Ti samples. The results revealed large difference in morphology of Ti surfaces pretreated with different procedures whereas only minor difference in the chemistry of the surfaces were detected.

Investigation on the surface characterization of Ga-faced GaN after chemical-mechanical polishing

Energy Technology Data Exchange (ETDEWEB)

Gong, Hua [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Shenzhen Key Laboratory of Micro/nano Manufacturing, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China); Pan, Guoshun, E-mail: pangs@tsinghua.edu.cn [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Shenzhen Key Laboratory of Micro/nano Manufacturing, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China); Zhou, Yan; Shi, Xiaolei; Zou, Chunli; Zhang, Suman [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Shenzhen Key Laboratory of Micro/nano Manufacturing, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China)

2015-05-30

Highlights: • Tiny-sized nanoparticles were introduced in GaN CMP to realize a good surface. • The relationship between surface characterization and abrasive size was conducted. • An atomic step-terrace structure was achieved on GaN surface after CMP. • Pt/C catalyst nanoparticles were used in GaN CMP to get a higher MRR. - Abstract: The relationship between the surface characterization after chemical mechanical polishing (CMP) and the size of the silica (SiO{sub 2}) abrasive used for CMP of gallium nitride (GaN) substrates was investigated in detail. Atomic force microscope was used for measuring the surface morphology, pit feature, pit depth distribution, and atomic step-terrace structure. With the decrease of SiO{sub 2} abrasive size, the pit depth reduced and the atomic step-terrace structure became more whole with smaller damage area, resulting in smaller roughness. For tiny-sized SiO{sub 2} abrasive, an almost complete atomic step-terrace structure with 0.0523 nm roughness was achieved. On the other hand, in order to acquire higher removal, Pt/C nanoparticle was employed as a catalyst in CMP slurry. The result indicates that when Pt/C catalyst content was reached to 1.0 ppm, material removal rate was increased by 47.69% compared to that by none of the catalyst, and besides, the pit depth reduced and the surface atomic step-terrace structure was not destroyed. The Pt/C nanoparticle is proved to be the promising catalyst to the surface preparation of super-hard and inert materials with high efficiency and good surface.

Characterization of the Micro-shell Surface Using Holographic Measurements

Energy Technology Data Exchange (ETDEWEB)

Sandras, F.; Hermerel, C.; Choux, A.; Merillot, P.; Pin, G.; Jeannot, L. [CEA Valduc, Dept Rech Mat Nucl, Serv Microcibles, 21 - Is-sur-Tille (France)

2009-05-15

To characterize the shape, the quality, and the roughness of micro-shells, typically used technologies are scanning electron microscopy, scanning interferometric microscopy, or atomic force microscopy. One of the drawbacks of these techniques is that they are generally slow because of their scanning process. Digital holographic microscopy technology is an innovation that can offer ability adapted to these studies. It captures holograms instead of intensity images, as done by conventional microscopes. The holograms are then digitally interpreted (10 per second) to reconstruct a double image, one for the intensity and another one for the phase. Using a rotation axis, the bump counting for the complete micro-shell surface is possible with a very high speed. Using an image stitching software, mapping can be done in a few minutes. Wavelets such as 'Mexican hat' are used to model the bumps. Each bump can then be characterized on the map by its position, diameter, and height. (authors)

Characterization of local hydrophobicity on sapphire (0001) surfaces in aqueous environment by colloidal probe atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Wada, Tomoya; Yamazaki, Kenji; Isono, Toshinari; Ogino, Toshio, E-mail: ogino-toshio-rx@ynu.ac.jp

2017-02-28

Highlights: • Local hydrophobicity of phase-separated sapphire (0001) surfaces was investigated. • These surfaces are featured by coexistence of hydrophilic and hydrophobic domains. • Each domain was characterized by colloidal probe atomic force microscopy in water. • Both domains can be distinguished by adhesive forces of the probe to the surfaces. • Characterization in aqueous environment is important in bio-applications of sapphire. - Abstract: Sapphire (0001) surfaces exhibit a phase-separation into hydrophobic and hydrophilic domains upon high-temperature annealing, which were previously distinguished by the thickness of adsorbed water layers in air using atomic force microscopy (AFM). To characterize their local surface hydrophobicity in aqueous environment, we used AFM equipped with a colloidal probe and measured the local adhesive force between each sapphire domain and a hydrophilic SiO{sub 2} probe surface, or a hydrophobic polystyrene one. Two data acquisition modes for statistical analyses were used: one is force measurements at different positions of the surface and the other repeated measurement at a fixed position. We found that adhesive force measurements using the polystyrene probe allow us to distinctly separate the hydrophilic and hydrophobic domains. The dispersion in the force measurement data at different positions of the surface is larger than that in the repeated measurements at a fixed position. It indicates that the adhesive force measurement is repeatable although their data dispersion for the measurement positions is relatively large. From these results, we can conclude that the hydrophilic and hydrophobic domains on the sapphire (0001) surfaces are distinguished by a difference in their hydration degrees.

Microscopic examination and elemental analysis of surface defects in LEP superconducting cavities

International Nuclear Information System (INIS)

Benvenuti, C.; Cosso, R.; Hauer, M.; Hellgren, N.; Lacarrere, D.

1996-01-01

A diagnostic tool, based on a computer controlled surface analysis instrument, incorporating secondary electron imaging, static auger electron spectroscopy and scanning auger mapping has been designed and built at CERN to characterize the inner surface of LEP superconducting cavities with provide unsatisfactory radio-frequency performance. The experimental results obtained to date are reported and discussed. (author)

The characterization of the antibacterial efficacy of an electrically activated silver ion-based surface system

Science.gov (United States)

Shirwaiker, Rohan A.

There have been growing concerns in the global healthcare system about the eradication of pathogens in hospitals and other health-critical environments. The problem has been aggravated by the overuse of antibiotics and antimicrobial agents leading to the emergence of antibiotic-resistant superbugs such as methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant Enterococcus (VRE) which are difficult to kill. Lower immunity of sick patients coupled with the escalating concurrent problem of antibiotic-resistant pathogens has resulted in increasing incidences of hospital acquired (nosocomial) infections. There is an immediate need to control the transmission of such infections, primarily in healthcare environments, by creating touch-contact and work surfaces (e.g., door knobs, push plates, countertops) that utilize alternative antibacterial materials like the heavy metal, silver. Recent research has shown that it is silver in its ionic (Ag+ ) and not elemental form that is antibacterial. Thus, silver-based antibacterial surfaces have to release silver ions directly into the pathogenic environment (generally, an aqueous media) in order to be effective. This dissertation presents the study and analysis of a new silver-based surface system that utilizes low intensity direct electric current (LIDC) for generation of silver ions to primarily inhibit indirect contact transmission of infections. The broader objective of this research is to understand the design, and characterization of the electrically activated silver ion-based antibacterial surface system. The specific objectives of this dissertation include: (1) Developing a comprehensive system design, and identifying and studying its critical design parameters and functional mechanisms. (2) Evaluating effects of the critical design parameters on the antibacterial efficacy of the proposed surface system. (3) Developing a response surface model for the surface system performance. These objectives are

Anisotropic wetting properties on a precision-ground micro-V-grooved Si surface related to their micro-characterized variables

International Nuclear Information System (INIS)

Li, P; Xie, J; Cheng, J; Wu, K K

2014-01-01

Micro-characterized variables are proposed to precisely characterize a micro-V-grooved Si surface through the 3D measured topography rather than the designed one. In this study, level and gradient micro-grooved surfaces with depth of 25–80 µm were precisely and smoothly fabricated using a new micro-grinding process rather than laser machining and chemical etching. The objective is to investigate how these accurate micro-characterized variables systematically influence anisotropic wetting and droplet self-movement on such regular micro-structured surfaces without surface chemical modification. First, the anisotropic wetting, droplet sliding, pinning effect and droplet impact were experimentally investigated; then, theoretical anisotropic wetting models were constructed to predict and design the anisotropic wetting. The experiments show that the level micro-V-grooved surface produces the anisotropic wetting and pinning effects. It not only approximates superhydrophobicity but also produces high surface free energy. Moreover, the gradient micro-V-grooved surface with large pitch may lead to much easier droplet sliding than the level one along the micro-groove. The droplet self-movement trend increases with increasing the micro-groove gradient and micro-V-groove ratio. The micro-groove pitch and depth also influence the droplet impact. Theoretical analyses show that the wetting anisotropy and the droplet anisotropy both reach their largest value and disappear for a sharp micro-groove top when the micro-V-groove ratio is equal to 0.70 and 2.58, respectively, which may change the wetting between the composite state and the non-composite state. It is confirmed that the wetting behavior may be designed and predicted by the accurate micro-characterized variables of a regular micro-structured surface. (paper)

Anisotropic wetting properties on a precision-ground micro-V-grooved Si surface related to their micro-characterized variables

Science.gov (United States)

Li, P.; Xie, J.; Cheng, J.; Wu, K. K.

2014-07-01

Micro-characterized variables are proposed to precisely characterize a micro-V-grooved Si surface through the 3D measured topography rather than the designed one. In this study, level and gradient micro-grooved surfaces with depth of 25-80 µm were precisely and smoothly fabricated using a new micro-grinding process rather than laser machining and chemical etching. The objective is to investigate how these accurate micro-characterized variables systematically influence anisotropic wetting and droplet self-movement on such regular micro-structured surfaces without surface chemical modification. First, the anisotropic wetting, droplet sliding, pinning effect and droplet impact were experimentally investigated; then, theoretical anisotropic wetting models were constructed to predict and design the anisotropic wetting. The experiments show that the level micro-V-grooved surface produces the anisotropic wetting and pinning effects. It not only approximates superhydrophobicity but also produces high surface free energy. Moreover, the gradient micro-V-grooved surface with large pitch may lead to much easier droplet sliding than the level one along the micro-groove. The droplet self-movement trend increases with increasing the micro-groove gradient and micro-V-groove ratio. The micro-groove pitch and depth also influence the droplet impact. Theoretical analyses show that the wetting anisotropy and the droplet anisotropy both reach their largest value and disappear for a sharp micro-groove top when the micro-V-groove ratio is equal to 0.70 and 2.58, respectively, which may change the wetting between the composite state and the non-composite state. It is confirmed that the wetting behavior may be designed and predicted by the accurate micro-characterized variables of a regular micro-structured surface.

In vitro cell-biological performance and structural characterization of selective laser sintered and plasma surface functionalized polycaprolactone scaffolds for bone regeneration

Energy Technology Data Exchange (ETDEWEB)

Van Bael, Simon, E-mail: simon.vanbael@mech.kuleuven.be [Department of Mechanical Engineering, Division of Production Engineering, Machine Design and Automation, Katholieke Universiteit Leuven, Celestijnenlaan 300b, 3001 Leuven (Belgium); Department of Mechanical Engineering, Division of Biomechanics and Engineering Design, Katholieke Universiteit Leuven, Celestijnenlaan 300c, bus 2419, 3001 Heverlee (Belgium); Prometheus, Division of Skeletal Tissue Engineering, Katholieke Universiteit Leuven, O and N 1, Herestraat 49, bus 813, 3000 Leuven (Belgium); Desmet, Tim [Polymer Chemistry and Biomaterials Research Group, Ghent University, Krijgslaan 281 S4 Bis, Ghent, 9000 (Belgium); Research Unit Plasma Technology (RUPT), Department of Applied Physics, Faculty of Engineering, Ghent University, Jozef Plateaustraat 22, 9000 Ghent (Belgium); Chai, Yoke Chin [Prometheus, Division of Skeletal Tissue Engineering, Katholieke Universiteit Leuven, O and N 1, Herestraat 49, bus 813, 3000 Leuven (Belgium); Pyka, Gregory [Prometheus, Division of Skeletal Tissue Engineering, Katholieke Universiteit Leuven, O and N 1, Herestraat 49, bus 813, 3000 Leuven (Belgium); Department of Metallurgy and Materials Engineering, Katholieke Universiteit Leuven, Kasteelpark Arenberg 44, bus 2450, 3001 Leuven (Belgium); Dubruel, Peter [Polymer Chemistry and Biomaterials Research Group, Ghent University, Krijgslaan 281 S4 Bis, Ghent, 9000 (Belgium); Research Unit Plasma Technology (RUPT), Department of Applied Physics, Faculty of Engineering, Ghent University, Jozef Plateaustraat 22, 9000 Ghent (Belgium); Kruth, Jean-Pierre [Department of Mechanical Engineering, Division of Production Engineering, Machine Design and Automation, Katholieke Universiteit Leuven, Celestijnenlaan 300b, 3001 Leuven (Belgium); Schrooten, Jan [Prometheus, Division of Skeletal Tissue Engineering, Katholieke Universiteit Leuven, O and N 1, Herestraat 49, bus 813, 3000 Leuven (Belgium)

2013-08-01

In the present study a structural characterization and in vitro cell-biological evaluation was performed on polycaprolactone (PCL) scaffolds that were produced by the additive manufacturing technique selective laser sintering (SLS), followed by a plasma-based surface modification technique, either non-thermal oxygen plasma or double protein coating, to functionalize the PCL scaffold surfaces. In the first part of this study pore morphology by means of 2D optical microscopy, surface chemistry by means of hydrophilicity measurement and X-ray photoelectron spectroscopy, strut surface roughness by means of 3D micro-computed tomography (CT) imaging and scaffold mechanical properties by means of compression testing were evaluated before and after the surface modifications. The results showed that both surface modifications increased the PCL scaffold hydrophilicity without altering the morphological and mechanical properties. In the second part of this study the in vitro cell proliferation and differentiation of human osteoprogenitor cells, over 14 days of culture in osteogenic and growth medium were investigated. The O{sub 2} plasma modification gave rise to a significant lower in vitro cell proliferation compared to the untreated and double protein coated scaffolds. Furthermore the double protein coating increased in vitro cell metabolic activity and cell differentiation compared to the untreated and O{sub 2} plasma PCL scaffolds when OM was used. - Highlights: • Polycaprolactone scaffolds are produced with selective laser sintering. • 2 types of plasma based surface functionalization were applied. • Plasma had no significant effect on strut roughness and pore morphology. • Plasma improved surface hydrophilicity. • In vitro cell differentiation increased with plasma protein coated functionalization.

In vitro cell-biological performance and structural characterization of selective laser sintered and plasma surface functionalized polycaprolactone scaffolds for bone regeneration

International Nuclear Information System (INIS)

Van Bael, Simon; Desmet, Tim; Chai, Yoke Chin; Pyka, Gregory; Dubruel, Peter; Kruth, Jean-Pierre; Schrooten, Jan

2013-01-01

In the present study a structural characterization and in vitro cell-biological evaluation was performed on polycaprolactone (PCL) scaffolds that were produced by the additive manufacturing technique selective laser sintering (SLS), followed by a plasma-based surface modification technique, either non-thermal oxygen plasma or double protein coating, to functionalize the PCL scaffold surfaces. In the first part of this study pore morphology by means of 2D optical microscopy, surface chemistry by means of hydrophilicity measurement and X-ray photoelectron spectroscopy, strut surface roughness by means of 3D micro-computed tomography (CT) imaging and scaffold mechanical properties by means of compression testing were evaluated before and after the surface modifications. The results showed that both surface modifications increased the PCL scaffold hydrophilicity without altering the morphological and mechanical properties. In the second part of this study the in vitro cell proliferation and differentiation of human osteoprogenitor cells, over 14 days of culture in osteogenic and growth medium were investigated. The O 2 plasma modification gave rise to a significant lower in vitro cell proliferation compared to the untreated and double protein coated scaffolds. Furthermore the double protein coating increased in vitro cell metabolic activity and cell differentiation compared to the untreated and O 2 plasma PCL scaffolds when OM was used. - Highlights: • Polycaprolactone scaffolds are produced with selective laser sintering. • 2 types of plasma based surface functionalization were applied. • Plasma had no significant effect on strut roughness and pore morphology. • Plasma improved surface hydrophilicity. • In vitro cell differentiation increased with plasma protein coated functionalization

Characterizing water surface elevation under different flow conditions for the upcoming SWOT mission

Science.gov (United States)

Domeneghetti, A.; Schumann, G. J.-P.; Frasson, R. P. M.; Wei, R.; Pavelsky, T. M.; Castellarin, A.; Brath, A.; Durand, M. T.

2018-06-01

The Surface Water and Ocean Topography satellite mission (SWOT), scheduled for launch in 2021, will deliver two-dimensional observations of water surface heights for lakes, rivers wider than 100 m and oceans. Even though the scientific literature has highlighted several fields of application for the expected products, detailed simulations of the SWOT radar performance for a realistic river scenario have not been presented in the literature. Understanding the error of the most fundamental "raw" SWOT hydrology product is important in order to have a greater awareness about strengths and limits of the forthcoming satellite observations. This study focuses on a reach (∼140 km in length) of the middle-lower portion of the Po River, in Northern Italy, and, to date, represents one of the few real-case analyses of the spatial patterns in water surface elevation accuracy expected from SWOT. The river stretch is characterized by a main channel varying from 100 to 500 m in width and a large floodplain (up to 5 km) delimited by a system of major embankments. The simulation of the water surface along the Po River for different flow conditions (high, low and mean annual flows) is performed with inputs from a quasi-2D model implemented using detailed topographic and bathymetric information (LiDAR, 2 m resolution). By employing a simulator that mimics many SWOT satellite sensor characteristics and generates proxies of the remotely sensed hydrometric data, this study characterizes the spatial observations potentially provided by SWOT. We evaluate SWOT performance under different hydraulic conditions and assess possible effects of river embankments, river width, river topography and distance from the satellite ground track. Despite analyzing errors from the raw radar pixel cloud, which receives minimal processing, the present study highlights the promising potential of this Ka-band interferometer for measuring water surface elevations, with mean elevation errors of 0.1 cm and 21

Surface electrostatics: theory and computations

KAUST Repository

Chatzigeorgiou, G.

2014-02-05

The objective of this work is to study the electrostatic response of materials accounting for boundary surfaces with their own (electrostatic) constitutive behaviour. The electric response of materials with (electrostatic) energetic boundary surfaces (surfaces that possess material properties and constitutive structures different from those of the bulk) is formulated in a consistent manner using a variational framework. The forces and moments that appear due to bulk and surface electric fields are also expressed in a consistent manner. The theory is accompanied by numerical examples on porous materials using the finite-element method, where the influence of the surface electric permittivity on the electric displacement, the polarization stress and the Maxwell stress is examined.

Experimental/Computational Approach to Accommodation Coefficients and its Application to Noble Gases on Aluminum Surface (Preprint)

Science.gov (United States)

2009-02-03

computational approach to accommodation coefficients and its application to noble gases on aluminum surface Nathaniel Selden Uruversity of Southern Cahfornia, Los ...8217 ,. 0.’ a~ .......,..,P. • " ,,-0, "p"’U".. ,Po"D.’ 0.’P.... uro . P." FIG. 5: Experimental and computed radiometri~ force for argon (left), xenon

Characterization of scalar mixing in dense gaseous jets using X-ray computed tomography

Science.gov (United States)

Dunnmon, Jared; Sobhani, Sadaf; Kim, Tae Wook; Kovscek, Anthony; Ihme, Matthias

2015-10-01

An experimental technique based on X-ray computed tomography (XCT) is used to characterize scalar mixing of a krypton jet with air at turbulent conditions. The high radiodensity of the krypton gas enables non-intrusive volumetric measurements of gas density and mixture composition based on spatial variations in X-ray attenuation. Comparisons of these measurements to both computational results from large-eddy simulations and data from previous experiments are presented, and the viability of this diagnostic technique is assessed. Important aspects of X-ray attenuation theory, XCT practice, and relevant error analysis are considered in data processing, and their impacts on the future development of this technique are discussed.

Characterizing the Diurnal Cycle of Land Surface Temperature and Evapotranspiration at High Spatial Resolution Using Thermal Observations from sUAS.

Science.gov (United States)

Dutta, D.; Drewry, D.; Johnson, W. R.

2017-12-01

The surface temperature of plant canopies is an important indicator of the stomatal regulation of plant water use and the associated water flux from plants to atmosphere (evapotranspiration (ET)). Remotely sensed thermal observations using compact, low-cost, lightweight sensors from small unmanned aerial systems (sUAS) have the potential to provide surface temperature (ST) and ET estimates at unprecedented spatial and temporal resolutions, allowing us to characterize the intra-field diurnal variations in canopy ST and ET for a variety of vegetation systems. However, major challenges exist for obtaining accurate surface temperature estimates from low-cost uncooled microbolometer-type sensors. Here we describe the development of calibration methods using thermal chamber experiments, taking into account the ambient optics and sensor temperatures, and applying simple models of spatial non-uniformity correction to the sensor focal-plane-array. We present a framework that can be used to derive accurate surface temperatures using radiometric observations from low-cost sensors, and demonstrate this framework using a sUAS-mounted sensor across a diverse set of calibration and vegetation targets. Further, we demonstrate the use of the Surface Temperature Initiated Closure (STIC) model for computing spatially explicit, high spatial resolution ET estimates across several well-monitored agricultural systems, as driven by sUAS acquired surface temperatures. STIC provides a physically-based surface energy balance framework for the simultaneous retrieval of the surface and atmospheric vapor conductances and surface energy fluxes, by physically integrating radiometric surface temperature information into the Penman-Monteith equation. Results of our analysis over agricultural systems in Ames, IA and Davis, CA demonstrate the power of this approach for quantifying the intra-field spatial variability in the diurnal cycle of plant water use at sub-meter resolutions.

A measurement-based X-ray source model characterization for CT dosimetry computations.

Science.gov (United States)

Sommerville, Mitchell; Poirier, Yannick; Tambasco, Mauro

2015-11-08

The purpose of this study was to show that the nominal peak tube voltage potential (kVp) and measured half-value layer (HVL) can be used to generate energy spectra and fluence profiles for characterizing a computed tomography (CT) X-ray source, and to validate the source model and an in-house kV X-ray dose computation algorithm (kVDoseCalc) for computing machine- and patient-specific CT dose. Spatial variation of the X-ray source spectra of a Philips Brilliance and a GE Optima Big Bore CT scanner were found by measuring the HVL along the direction of the internal bow-tie filter axes. Third-party software, Spektr, and the nominal kVp settings were used to generate the energy spectra. Beam fluence was calculated by dividing the integral product of the spectra and the in-air NIST mass-energy attenuation coefficients by in-air dose measurements along the filter axis. The authors found the optimal number of photons to seed in kVDoseCalc to achieve dose convergence. The Philips Brilliance beams were modeled for 90, 120, and 140 kVp tube settings. The GE Optima beams were modeled for 80, 100, 120, and 140 kVp tube settings. Relative doses measured using a Capintec Farmer-type ionization chamber (0.65 cc) placed in a cylindrical polymethyl methacrylate (PMMA) phantom and irradiated by the Philips Brilliance, were compared to those computed with kVDoseCalc. Relative doses in an anthropomorphic thorax phantom (E2E SBRT Phantom) irradiated by the GE Optima were measured using a (0.015 cc) PTW Freiburg ionization chamber and compared to computations from kVDoseCalc. The number of photons required to reduce the average statistical uncertainty in dose to measurement over all 12 PMMA phantom positions was found to be 1.44%, 1.47%, and 1.41% for 90, 120, and 140 kVp, respectively. The maximum percent difference between calculation and measurement for all energies, measurement positions, and phantoms was less than 3.50%. Thirty-five out of a total of 36 simulation conditions were

Uncertainty Estimate of Surface Irradiances Computed with MODIS-, CALIPSO-, and CloudSat-Derived Cloud and Aerosol Properties

Science.gov (United States)

Kato, Seiji; Loeb, Norman G.; Rutan, David A.; Rose, Fred G.; Sun-Mack, Sunny; Miller, Walter F.; Chen, Yan

2012-07-01

Differences of modeled surface upward and downward longwave and shortwave irradiances are calculated using modeled irradiance computed with active sensor-derived and passive sensor-derived cloud and aerosol properties. The irradiance differences are calculated for various temporal and spatial scales, monthly gridded, monthly zonal, monthly global, and annual global. Using the irradiance differences, the uncertainty of surface irradiances is estimated. The uncertainty (1σ) of the annual global surface downward longwave and shortwave is, respectively, 7 W m-2 (out of 345 W m-2) and 4 W m-2 (out of 192 W m-2), after known bias errors are removed. Similarly, the uncertainty of the annual global surface upward longwave and shortwave is, respectively, 3 W m-2 (out of 398 W m-2) and 3 W m-2 (out of 23 W m-2). The uncertainty is for modeled irradiances computed using cloud properties derived from imagers on a sun-synchronous orbit that covers the globe every day (e.g., moderate-resolution imaging spectrometer) or modeled irradiances computed for nadir view only active sensors on a sun-synchronous orbit such as Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation and CloudSat. If we assume that longwave and shortwave uncertainties are independent of each other, but up- and downward components are correlated with each other, the uncertainty in global annual mean net surface irradiance is 12 W m-2. One-sigma uncertainty bounds of the satellite-based net surface irradiance are 106 W m-2 and 130 W m-2.

CSDMS2.0: Computational Infrastructure for Community Surface Dynamics Modeling

Science.gov (United States)

Syvitski, J. P.; Hutton, E.; Peckham, S. D.; Overeem, I.; Kettner, A.

2012-12-01

The Community Surface Dynamic Modeling System (CSDMS) is an NSF-supported, international and community-driven program that seeks to transform the science and practice of earth-surface dynamics modeling. CSDMS integrates a diverse community of more than 850 geoscientists representing 360 international institutions (academic, government, industry) from 60 countries and is supported by a CSDMS Interagency Committee (22 Federal agencies), and a CSDMS Industrial Consortia (18 companies). CSDMS presently distributes more 200 Open Source models and modeling tools, access to high performance computing clusters in support of developing and running models, and a suite of products for education and knowledge transfer. CSDMS software architecture employs frameworks and services that convert stand-alone models into flexible "plug-and-play" components to be assembled into larger applications. CSDMS2.0 will support model applications within a web browser, on a wider variety of computational platforms, and on other high performance computing clusters to ensure robustness and sustainability of the framework. Conversion of stand-alone models into "plug-and-play" components will employ automated wrapping tools. Methods for quantifying model uncertainty are being adapted as part of the modeling framework. Benchmarking data is being incorporated into the CSDMS modeling framework to support model inter-comparison. Finally, a robust mechanism for ingesting and utilizing semantic mediation databases is being developed within the Modeling Framework. Six new community initiatives are being pursued: 1) an earth - ecosystem modeling initiative to capture ecosystem dynamics and ensuing interactions with landscapes, 2) a geodynamics initiative to investigate the interplay among climate, geomorphology, and tectonic processes, 3) an Anthropocene modeling initiative, to incorporate mechanistic models of human influences, 4) a coastal vulnerability modeling initiative, with emphasis on deltas and

Genome-wide identification of the regulatory targets of a transcription factor using biochemical characterization and computational genomic analysis

Directory of Open Access Journals (Sweden)

Jolly Emmitt R

2005-11-01

Full Text Available Abstract Background A major challenge in computational genomics is the development of methodologies that allow accurate genome-wide prediction of the regulatory targets of a transcription factor. We present a method for target identification that combines experimental characterization of binding requirements with computational genomic analysis. Results Our method identified potential target genes of the transcription factor Ndt80, a key transcriptional regulator involved in yeast sporulation, using the combined information of binding affinity, positional distribution, and conservation of the binding sites across multiple species. We have also developed a mathematical approach to compute the false positive rate and the total number of targets in the genome based on the multiple selection criteria. Conclusion We have shown that combining biochemical characterization and computational genomic analysis leads to accurate identification of the genome-wide targets of a transcription factor. The method can be extended to other transcription factors and can complement other genomic approaches to transcriptional regulation.

The Chameleon Effect: characterization challenges due to the variability of nanoparticles and their surfaces of nanoparticles and their surfaces

Science.gov (United States)

Baer, Donald R.

2018-05-01

Nanoparticles in a variety of forms are increasing important in fundamental research, technological and medical applications, and environmental or toxicology studies. Physical and chemical drivers that lead to multiple types of particle instabilities complicate both the ability to produce, appropriately characterize, and consistently deliver well-defined particles, frequently leading to inconsistencies and conflicts in the published literature. This perspective suggests that provenance information, beyond that often recorded or reported, and application of a set of core characterization methods, including a surface sensitive technique, consistently applied at critical times can serve as tools in the effort minimize reproducibility issues.

Hydrodynamic Characterization of a Surface Storage Zone in a Natural Stream

Science.gov (United States)

Sandoval Ulloa, J. C.; Escauriaza, C. R.; Mignot, E.; Mao, L.

2015-12-01

Flow developed in surface storage zones in rivers is very important for many physical and biogeochemical processes. These regions are characterized by low velocities compared to the flow in the main channel and long residence times that favor the deposition of contaminants, nutrient uptake and interactions with reactive sediments. The dynamics of the turbulent flows in these zones is very complex, typically characterized by a shear layer that induces a recirculating area, with multiple large-scale coherent structures of different temporal and spatial scales. In this work we present the methodology and analysis of measurements in a natural surface storage zone. We report detailed information of a field campaign carried out in the Lluta River, located in northern Chile in the high altitude Andean environment known as the Altiplano (~4,000 masl). The area of study has great interest for the river ecosystem, since the water has high concentration levels of arsenic and other metals. The Lluta River is also a water source for many agricultural communities and urban centers located in the lower parts of the watershed. Field information obtained was: detailed topography, 3D velocity components in several points, and sediment arsenic concentration in the main channel and in the recirculating region of the natural surface storage zone. Topography was obtained through DGPS and digital image processing. The 3D velocity field was measured with an acoustic Doppler velocimeter (ADV) and surface velocity data was obtained through the LSPIV technique. Arsenic concentration was obtained by sediment sampling analysis. With this data we analyze the flow topology and characteristics features of the velocity, which constitute the controlling mechanisms of contaminant transport in the field. In addition, we contrast with preliminary results of a three-dimensional (3D) numerical simulation, to determine the influence of different parameters on the transport and mixing processes in natural

PNIPAAm-grafted thermoresponsive microcarriers: Surface-initiated ATRP synthesis and characterization

Energy Technology Data Exchange (ETDEWEB)

Çakmak, Soner [Nanotechnology and Nanomedicine Department, Hacettepe University, 06800, Beytepe, Ankara (Turkey); Çakmak, Anıl S. [Bioengineering Department, Hacettepe University, 06800, Beytepe, Ankara (Turkey); Gümüşderelioğlu, Menemşe, E-mail: menemse@hacettepe.edu.tr [Nanotechnology and Nanomedicine Department, Hacettepe University, 06800, Beytepe, Ankara (Turkey); Bioengineering Department, Hacettepe University, 06800, Beytepe, Ankara (Turkey); Chemical Engineering Department, Hacettepe University, 06800, Beytepe, Ankara (Turkey)

2013-07-01

In this study, we developed novel thermoresponsive microcarriers as a powerful tool for cell culture and tissue engineering applications. For this purpose, two types of commercially available spherical microparticles (approximately 100 μm in diameter), dextran-based Sephadex® and vinyl acetate-based VA-OH (Biosynth®), were used and themoresponsive poly(N-isopropylacrylamide) (PNIPAAm) was grafted to the beads' surfaces by surface-initiated atom transfer radical polymerization (SI-ATRP). Initially, hydroxyl groups of microbeads were reacted with 2-bromopropionyl bromide to form ATRP macroinitiator. Then, NIPAAm was successfully polymerized from the initiator attached microbeads by ATRP with CuBr/2,2′-dipyridyl, catalyst complex. Furthermore, grafted and ungrafted microbeads were characterized by attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, scanning electron microscope (SEM), atomic force microscopy (AFM) and electron spectroscopy for chemical analysis (ESCA). The results of characterization studies confirmed that PNIPAAm was successfully grafted onto both dextran and vinyl acetate-based beads by means of ATRP reaction and thus, grafted microbeads gained thermoresponsive characteristics which will be evaluated for cell harvesting in further studies. Highlights: • PNIPAAm was grafted to the hydroxyl group carrying polymer beads by SI-ATRP. • Dex-g-PNIPAAm and VA-OH-g-PNIPAAm beads exhibited thermoresponsive characteristics. • They are appropriate candidates for microcarrier-facilitated cell cultures.

PNIPAAm-grafted thermoresponsive microcarriers: Surface-initiated ATRP synthesis and characterization

International Nuclear Information System (INIS)

Çakmak, Soner; Çakmak, Anıl S.; Gümüşderelioğlu, Menemşe

2013-01-01

In this study, we developed novel thermoresponsive microcarriers as a powerful tool for cell culture and tissue engineering applications. For this purpose, two types of commercially available spherical microparticles (approximately 100 μm in diameter), dextran-based Sephadex® and vinyl acetate-based VA-OH (Biosynth®), were used and themoresponsive poly(N-isopropylacrylamide) (PNIPAAm) was grafted to the beads' surfaces by surface-initiated atom transfer radical polymerization (SI-ATRP). Initially, hydroxyl groups of microbeads were reacted with 2-bromopropionyl bromide to form ATRP macroinitiator. Then, NIPAAm was successfully polymerized from the initiator attached microbeads by ATRP with CuBr/2,2′-dipyridyl, catalyst complex. Furthermore, grafted and ungrafted microbeads were characterized by attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, scanning electron microscope (SEM), atomic force microscopy (AFM) and electron spectroscopy for chemical analysis (ESCA). The results of characterization studies confirmed that PNIPAAm was successfully grafted onto both dextran and vinyl acetate-based beads by means of ATRP reaction and thus, grafted microbeads gained thermoresponsive characteristics which will be evaluated for cell harvesting in further studies. Highlights: • PNIPAAm was grafted to the hydroxyl group carrying polymer beads by SI-ATRP. • Dex-g-PNIPAAm and VA-OH-g-PNIPAAm beads exhibited thermoresponsive characteristics. • They are appropriate candidates for microcarrier-facilitated cell cultures

Quantitative roughness characterization and 3D reconstruction of electrode surface using cyclic voltammetry and SEM image

Energy Technology Data Exchange (ETDEWEB)

Dhillon, Shweta; Kant, Rama, E-mail: rkant@chemistry.du.ac.in

2013-10-01

Area measurements from cyclic voltammetry (CV) and image from scanning electron microscopy (SEM) are used to characterize electrode statistical morphology, 3D surface reconstruction and its electroactivity. SEM images of single phased materials correspond to two-dimensional (2D) projections of 3D structures, leading to an incomplete characterization. Lack of third dimension information in SEM image is circumvented using equivalence between denoised SEM image and CV area measurements. This CV-SEM method can be used to estimate power spectral density (PSD), width, gradient, finite fractal nature of roughness and local morphology of the electrode. We show that the surface morphological statistical property like distribution function of gradient can be related to local electro-activity. Electrode surface gradient micrographs generated here can provide map of electro-activity sites. Finally, the densely and uniformly packed small gradient over the Pt-surface is the determining criterion for high intrinsic electrode activity.

Quantitative roughness characterization and 3D reconstruction of electrode surface using cyclic voltammetry and SEM image

International Nuclear Information System (INIS)

Dhillon, Shweta; Kant, Rama

2013-01-01

Area measurements from cyclic voltammetry (CV) and image from scanning electron microscopy (SEM) are used to characterize electrode statistical morphology, 3D surface reconstruction and its electroactivity. SEM images of single phased materials correspond to two-dimensional (2D) projections of 3D structures, leading to an incomplete characterization. Lack of third dimension information in SEM image is circumvented using equivalence between denoised SEM image and CV area measurements. This CV-SEM method can be used to estimate power spectral density (PSD), width, gradient, finite fractal nature of roughness and local morphology of the electrode. We show that the surface morphological statistical property like distribution function of gradient can be related to local electro-activity. Electrode surface gradient micrographs generated here can provide map of electro-activity sites. Finally, the densely and uniformly packed small gradient over the Pt-surface is the determining criterion for high intrinsic electrode activity.

Surface characterization after subaperture reactive ion beam etching

Energy Technology Data Exchange (ETDEWEB)

Miessler, Andre; Arnold, Thomas; Rauschenbach, Bernd [Leibniz-Institut fuer Oberflaechenmodifizierung (IOM), Leipzig (Germany)

2010-07-01

In usual ion beam etching processes using inert gas (Ar, Xe, Kr..) the material removal is determined by physical sputtering effects on the surface. The admixture of suitable gases (CF{sub 4}+O{sub 2}) into the glow discharge of the ion beam source leads to the generation of reactive particles, which are accelerated towards the substrate where they enhance the sputtering process by formation of volatile chemical reaction products. During the last two decades research in Reactive Ion Beam Etching (RIBE) has been done using a broad beam ion source which allows the treatment of smaller samples (diameter sample < diameter beam). Our goal was to apply a sub-aperture Kaufman-type ion source in combination with an applicative movement of the sample with respect to the source, which enables us to etch areas larger than the typical lateral dimensions of the ion beam. Concerning this matter, the etching behavior in the beam periphery plays a decisive role and has to be investigated. We use interferometry to characterize the final surface topography and XPS measurements to analyze the chemical composition of the samples after RIBE.

Kinetic computer modeling of microwave surface-wave plasma production

International Nuclear Information System (INIS)

Ganachev, Ivan P.

2004-01-01

Kinetic computer plasma modeling occupies an intermediate position between the time consuming rigorous particle dynamic simulation and the fast but rather rough cold- or warm-plasma fluid models. The present paper reviews the kinetic modeling of microwave surface-wave discharges with accent on recent kinetic self-consistent models, where the external input parameters are reduced to the necessary minimum (frequency and intensity of the applied microwave field and pressure and geometry of the discharge vessel). The presentation is limited to low pressures, so that Boltzmann equation is solved in non-local approximation and collisional electron heating is neglected. The numerical results reproduce correctly the bi-Maxwellian electron energy distribution functions observed experimentally. (author)

Morpho-chemical characterization and surface properties of carcinogenic zeolite fibers

International Nuclear Information System (INIS)

Mattioli, Michele; Giordani, Matteo; Dogan, Meral; Cangiotti, Michela; Avella, Giuseppe; Giorgi, Rodorico; Dogan, A. Umran; Ottaviani, Maria Francesca

2016-01-01

Highlights: • Differently carcinogenic zeolite fibers were investigated combining physico-chemical methods. • For the first time, zeolite fibers were studied by means of the EPR technique using different spin probes. • The structural properties and the adsorption capability are function of different types and distributions of adsorption sites. • The interacting ability of erionite is higher than that of other fibrous zeolites. • The surface interacting properties may be related with the carcinogenicity of the zeolite fibers. - Abstract: Erionite belonging to the zeolite family is a human health-hazard, since it was demonstrated to be carcinogenic. Conversely, offretite family zeolites were suspected carcinogenic. Mineralogical, morphological, chemical, and surface characterizations were performed on two erionites (GF1, MD8) and one offretite (BV12) fibrous samples and, for comparison, one scolecite (SC1) sample. The specific surface area analysis indicated a larger availability of surface sites for the adsorption onto GF1, while SC1 shows the lowest one and the presence of large pores in the poorly fibrous zeolite aggregates. Selected spin probes revealed a high adsorption capacity of GF1 compared to the other zeolites, but the polar/charged interacting sites were well distributed, intercalated by less polar sites (Si–O–Si). MD8 surface is less homogeneous and the polar/charged sites are more interacting and closer to each other compared to GF1. The interacting ability of BV12 surface is much lower than that found for GF1 and MD8 and the probes are trapped in small pores into the fibrous aggregates. In comparison with the other zeolites, the non-carcinogenic SC1 shows a poor interacting ability and a lower surface polarity. These results helped to clarify the chemical properties and the surface interacting ability of these zeolite fibers which may be related to their carcinogenicity.

99mTc-Hexamethyl Propyleneamine Oxime Brain Perfusion Single Photon Emission Computed Tomography in Characterization of Dementia: An Initial Experience in Indian Clinical Practice

International Nuclear Information System (INIS)

Santra, Amburanjan; Sinha, Gaurav Kumar; Neogi, Rajarshi; Thukral, Ramesh Kumar

2014-01-01

There is a growing health burden in developing countries due to recent trends of increasing incidence of neurodegenerative diseases. To reduce the healthcare cost and effective management of dementia illness, early diagnosis, accurate differentiation and their progression assessment is becoming crucially important. We are utilizing 99m Tc-d, l-hexamethyl propyleneamine oxime (HMPAO) brain perfusion single photon emission computed tomography (SPECT) to characterize dementia on the basis of perfusion patterns and observed significant improvement in their management. Eleven patients (median age of 60 years range of 53-83 years) with clinical suspicion of dementia underwent 99m Tc-HMPAO brain perfusion SPECT. SPECT-computed tomography acquisition done, data are reconstructed, reviewed in three view and further processed in “neurogam” to get voxel based analysis and the comparison with age based normal database and surface mapping. Final diagnosis was done with clinical correlation. Four patients are diagnosed as Alzheimer's disease, two as frontotemporal dementia, one as dementia of Lewy bodies, two as vascular dementia and two as pseudodementia. All imaging findings are well-correlated with clinical background. Brain perfusion SPECT with HMPAO was very helpful to us in characterizing the patients of dementia by its perfusion pattern

TAREAN: a computational tool for identification and characterization of satellite DNA from unassembled short reads.

Science.gov (United States)

Novák, Petr; Ávila Robledillo, Laura; Koblížková, Andrea; Vrbová, Iva; Neumann, Pavel; Macas, Jirí

2017-07-07

Satellite DNA is one of the major classes of repetitive DNA, characterized by tandemly arranged repeat copies that form contiguous arrays up to megabases in length. This type of genomic organization makes satellite DNA difficult to assemble, which hampers characterization of satellite sequences by computational analysis of genomic contigs. Here, we present tandem repeat analyzer (TAREAN), a novel computational pipeline that circumvents this problem by detecting satellite repeats directly from unassembled short reads. The pipeline first employs graph-based sequence clustering to identify groups of reads that represent repetitive elements. Putative satellite repeats are subsequently detected by the presence of circular structures in their cluster graphs. Consensus sequences of repeat monomers are then reconstructed from the most frequent k-mers obtained by decomposing read sequences from corresponding clusters. The pipeline performance was successfully validated by analyzing low-pass genome sequencing data from five plant species where satellite DNA was previously experimentally characterized. Moreover, novel satellite repeats were predicted for the genome of Vicia faba and three of these repeats were verified by detecting their sequences on metaphase chromosomes using fluorescence in situ hybridization. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Computational design of protein interactions: designing proteins that neutralize influenza by inhibiting its hemagglutinin surface protein

Science.gov (United States)

Fleishman, Sarel

2012-02-01

Molecular recognition underlies all life processes. Design of interactions not seen in nature is a test of our understanding of molecular recognition and could unlock the vast potential of subtle control over molecular interaction networks, allowing the design of novel diagnostics and therapeutics for basic and applied research. We developed the first general method for designing protein interactions. The method starts by computing a region of high affinity interactions between dismembered amino acid residues and the target surface and then identifying proteins that can harbor these residues. Designs are tested experimentally for binding the target surface and successful ones are affinity matured using yeast cell surface display. Applied to the conserved stem region of influenza hemagglutinin we designed two unrelated proteins that, following affinity maturation, bound hemagglutinin at subnanomolar dissociation constants. Co-crystal structures of hemagglutinin bound to the two designed binders were within 1Angstrom RMSd of their models, validating the accuracy of the design strategy. One of the designed proteins inhibits the conformational changes that underlie hemagglutinin's cell-invasion functions and blocks virus infectivity in cell culture, suggesting that such proteins may in future serve as diagnostics and antivirals against a wide range of pathogenic influenza strains. We have used this method to obtain experimentally validated binders of several other target proteins, demonstrating the generality of the approach. We discuss the combination of modeling and high-throughput characterization of design variants which has been key to the success of this approach, as well as how we have used the data obtained in this project to enhance our understanding of molecular recognition. References: Science 332:816 JMB, in press Protein Sci 20:753

Note: Radio frequency surface impedance characterization system for superconducting samples at 7.5 GHz.

Science.gov (United States)

Xiao, B P; Reece, C E; Phillips, H L; Geng, R L; Wang, H; Marhauser, F; Kelley, M J

2011-05-01

A radio frequency (RF) surface impedance characterization (SIC) system that uses a novel sapphire-loaded niobium cavity operating at 7.5 GHz has been developed as a tool to measure the RF surface impedance of flat superconducting material samples. The SIC system can presently make direct calorimetric RF surface impedance measurements on the central 0.8 cm(2) area of 5 cm diameter disk samples from 2 to 20 K exposed to RF magnetic fields up to 14 mT. To illustrate system utility, we present first measurement results for a bulk niobium sample.

The advantages of the surface Laplacian in brain-computer interface research.

Science.gov (United States)

McFarland, Dennis J

2015-09-01

Brain-computer interface (BCI) systems frequently use signal processing methods, such as spatial filtering, to enhance performance. The surface Laplacian can reduce spatial noise and aid in identification of sources. In BCI research, these two functions of the surface Laplacian correspond to prediction accuracy and signal orthogonality. In the present study, an off-line analysis of data from a sensorimotor rhythm-based BCI task dissociated these functions of the surface Laplacian by comparing nearest-neighbor and next-nearest neighbor Laplacian algorithms. The nearest-neighbor Laplacian produced signals that were more orthogonal while the next-nearest Laplacian produced signals that resulted in better accuracy. Both prediction and signal identification are important for BCI research. Better prediction of user's intent produces increased speed and accuracy of communication and control. Signal identification is important for ruling out the possibility of control by artifacts. Identifying the nature of the control signal is relevant both to understanding exactly what is being studied and in terms of usability for individuals with limited motor control. Copyright © 2014 Elsevier B.V. All rights reserved.

Micro and nanostructural characterization of surfaces and interfaces of Portland cement mortars using atomic force microscopy

International Nuclear Information System (INIS)

Barreto, M.F.O.; Brandao, P.R.G.

2014-01-01

The characterization of Portland cement mortars is very important in the study the interfaces and surfaces that make up the system grout/ceramic block. In this sense, scanning electron microscopy and energy-dispersive (X-ray) spectrometer are important tools in investigating the morphology and chemical aspects. However, more detailed topographic information can be necessary in the characterization process. In this work, the aim was to characterize topographically surfaces and interfaces of mortars applied onto ceramic blocks. This has been accomplished by using the atomic force microscope (AFM) - MFP-3D-SA Asylum Research. To date, the results obtained from this research show that the characterization of cementitious materials with the help of AFM has an important contribution in the investigation and differentiation of hydrated calcium silicates (CSH), calcium hydroxide (Ca(OH)2, ettringite and calcium carbonate by providing morphological and micro topographical data, which are extremely important and reliable for the understanding of cementitious materials. (author)

Computer Vision and Machine Learning for Autonomous Characterization of AM Powder Feedstocks

Science.gov (United States)

DeCost, Brian L.; Jain, Harshvardhan; Rollett, Anthony D.; Holm, Elizabeth A.

2017-03-01

By applying computer vision and machine learning methods, we develop a system to characterize powder feedstock materials for metal additive manufacturing (AM). Feature detection and description algorithms are applied to create a microstructural scale image representation that can be used to cluster, compare, and analyze powder micrographs. When applied to eight commercial feedstock powders, the system classifies powder images into the correct material systems with greater than 95% accuracy. The system also identifies both representative and atypical powder images. These results suggest the possibility of measuring variations in powders as a function of processing history, relating microstructural features of powders to properties relevant to their performance in AM processes, and defining objective material standards based on visual images. A significant advantage of the computer vision approach is that it is autonomous, objective, and repeatable.

Characterization and anti-settlement aspects of surface micro-structures from Cancer pagurus

International Nuclear Information System (INIS)

Sullivan, T; Regan, F; McGuinness, K; Connor, N E O’

2014-01-01

Tuning surface and material properties to inhibit or prevent settlement and attachment of microorganisms is of interest for applications such as antifouling technologies. Here, optimization of nano- and microscale structures on immersed surfaces can be utilized to improve cell removal while reducing adhesion strength and the likelihood of initial cellular attachment. Engineered surfaces capable of controlling cellular behaviour under natural conditions are challenging to design due to the diversity of attaching cell types in environments such as marine waters, where many variations in cell shape, size and adhesion strategy exist. Nevertheless, understanding interactions between a cell and a potential substrate for adhesion, including topographically driven settlement cues, offers a route to designing surfaces capable of controlling cell settlement. Biomimetic design of artificial surfaces, based upon microscale features from natural surfaces, can be utilized as model surfaces to understand cell–surface interactions. The microscale surface features of the carapace from the crustacean Cancer pagurus has been previously found to influence the rate of attachment of particular organisms when compared to smooth controls. However, the nature of microscale topographic features from C. pagurus have not been examined in sufficient detail to allow design of biomimetic surfaces. In this work, the spatial distribution, chemical composition, size and shape descriptors of microscale surface features from C. pagurus are characterized in detail for the first time. Additionally, the influence of topography from C. pagurus on the settlement of marine diatoms is examined under field conditions. (paper)

Design parameters for measurements of local catalytic activity on surfaces

DEFF Research Database (Denmark)

Johansson, Martin; Johannessen, Tue; Jørgensen, Jan Hoffmann

2006-01-01

Computational fluid dynamics in combination with experiments is used to characterize a gas sampling device for measurements of the local catalytic activity on surfaces. The device basically consists of a quartz capillary mounted concentrically inside an aluminum tube. Reactant gas is blown toward......, the limits of the range in reaction rate, which can be Studied are estimated. (c) 2005 Elsevier B.V. All rights reserved.......Computational fluid dynamics in combination with experiments is used to characterize a gas sampling device for measurements of the local catalytic activity on surfaces. The device basically consists of a quartz capillary mounted concentrically inside an aluminum tube. Reactant gas is blown toward...... limit for the lateral resolution of the measurement, and that a flow rate of the order of 240 (ml/min)(n) is sufficient to achieve this resolution. The sensitivity is reasonable also with high flow rates, due to the presence of a pocket of stagnant gas under the tip of the capillary. Furthermore...

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

Science.gov (United States)

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

2017-07-01

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

Characterizing Surfaces of the Wide Bandgap Semiconductor Ilmenite with Scanning Probe Microcopies

Science.gov (United States)

Wilkins, R.; Powell, Kirk St. A.

1997-01-01

Ilmenite (FeTiO3) is a wide bandgap semiconductor with an energy gap of about 2.5eV. Initial radiation studies indicate that ilmenite has properties suited for radiation tolerant applications, as well as a variety of other electronic applications. Two scanning probe microscopy methods have been used to characterize the surface of samples taken from Czochralski grown single crystals. The two methods, atomic force microscopy (AFM) and scanning tunneling microscopy (STM), are based on different physical principles and therefore provide different information about the samples. AFM provides a direct, three-dimensional image of the surface of the samples, while STM give a convolution of topographic and electronic properties of the surface. We will discuss the differences between the methods and present preliminary data of each method for ilmenite samples.

The Actuator Surface Model: A New Navier-Stokes Based Model for Rotor Computations

DEFF Research Database (Denmark)

Shen, Wen Zhong; Zhang, J.H.; Sørensen, Jens Nørkær

2009-01-01

This paper presents a new numerical technique for simulating two-dimensional wind turbine flow. The method, denoted as the 2D actuator surface technique, consists of a two-dimensional Navier-Stokes solver in which the pressure distribution is represented by body forces that are distributed along ....... In the last part, the actuator surface technique is applied to compute the flow past a two-bladed vertical axis wind turbine equipped with NACA 0012 airfoils. Comparisons with experimental data show an encouraging performance of the method.......This paper presents a new numerical technique for simulating two-dimensional wind turbine flow. The method, denoted as the 2D actuator surface technique, consists of a two-dimensional Navier-Stokes solver in which the pressure distribution is represented by body forces that are distributed along...

Pulmonary nodule characterization, including computer analysis and quantitative features.

Science.gov (United States)

Bartholmai, Brian J; Koo, Chi Wan; Johnson, Geoffrey B; White, Darin B; Raghunath, Sushravya M; Rajagopalan, Srinivasan; Moynagh, Michael R; Lindell, Rebecca M; Hartman, Thomas E

2015-03-01

Pulmonary nodules are commonly detected in computed tomography (CT) chest screening of a high-risk population. The specific visual or quantitative features on CT or other modalities can be used to characterize the likelihood that a nodule is benign or malignant. Visual features on CT such as size, attenuation, location, morphology, edge characteristics, and other distinctive "signs" can be highly suggestive of a specific diagnosis and, in general, be used to determine the probability that a specific nodule is benign or malignant. Change in size, attenuation, and morphology on serial follow-up CT, or features on other modalities such as nuclear medicine studies or MRI, can also contribute to the characterization of lung nodules. Imaging analytics can objectively and reproducibly quantify nodule features on CT, nuclear medicine, and magnetic resonance imaging. Some quantitative techniques show great promise in helping to differentiate benign from malignant lesions or to stratify the risk of aggressive versus indolent neoplasm. In this article, we (1) summarize the visual characteristics, descriptors, and signs that may be helpful in management of nodules identified on screening CT, (2) discuss current quantitative and multimodality techniques that aid in the differentiation of nodules, and (3) highlight the power, pitfalls, and limitations of these various techniques.

Computation: A New Open Access Journal of Computational Chemistry, Computational Biology and Computational Engineering

OpenAIRE

Karlheinz Schwarz; Rainer Breitling; Christian Allen

2013-01-01

Computation (ISSN 2079-3197; http://www.mdpi.com/journal/computation) is an international scientific open access journal focusing on fundamental work in the field of computational science and engineering. Computational science has become essential in many research areas by contributing to solving complex problems in fundamental science all the way to engineering. The very broad range of application domains suggests structuring this journal into three sections, which are briefly characterized ...

Nanophotonic force microscopy: characterizing particle-surface interactions using near-field photonics.

Science.gov (United States)

Schein, Perry; Kang, Pilgyu; O'Dell, Dakota; Erickson, David

2015-02-11

Direct measurements of particle-surface interactions are important for characterizing the stability and behavior of colloidal and nanoparticle suspensions. Current techniques are limited in their ability to measure pico-Newton scale interaction forces on submicrometer particles due to signal detection limits and thermal noise. Here we present a new technique for making measurements in this regime, which we refer to as nanophotonic force microscopy. Using a photonic crystal resonator, we generate a strongly localized region of exponentially decaying, near-field light that allows us to confine small particles close to a surface. From the statistical distribution of the light intensity scattered by the particle we are able to map out the potential well of the trap and directly quantify the repulsive force between the nanoparticle and the surface. As shown in this Letter, our technique is not limited by thermal noise, and therefore, we are able to resolve interaction forces smaller than 1 pN on dielectric particles as small as 100 nm in diameter.

Numerical simulation of ion-surface interactions

International Nuclear Information System (INIS)

Hou, M.

1994-01-01

This paper, based on examples from the author's contribution, aims to illustrate the role of ballistic simulations of the interaction between an ion beam and a surface in the characterization of surface properties. Several aspects of the ion-surface interaction have been modelled to various levels of sophistication by computer simulation. Particular emphasis is given to the ion scattering in the impact mode, in the multiple scattering regime and at grazing incidence, as well as to the Auger emission resulting from electronic excitation. Some examples are then given in order to illustrate the use of the combination between simulation and experiment to study the ion-surface interaction and surface properties. Ion-induced Auger emission, the determination of potentials and of overlay structures are discusse. The possibility to tackle dynamical surface properties by menas of a combination between molecular dynamics, ballistic simulations and ion scattering measurements in then briefly discussed. (orig.)

A computer simulation of the surface channeling of MeV heavy charged particles

International Nuclear Information System (INIS)

Morita, K.

1980-01-01

The surface channeling of 1.5 MeV N + ions incident near the [011] direction on the (100) surface and near the [001] direction on the (110) surface of Ge crystals has been studied using computer simulation. The trajectories of ions incident at angles near the critical angle for axial channeling were traced. The energy spectra, the angular distributions and the reflection-depth distributions of scattered ions were obtained. The calculated energy spectra for both directions are found to be composed of a surface peak and a broad peak, the latter being at the low energy side of the surface peak. The height of the surface peak and the energy position of the broad peak are found to depend on the azimuthal component and the tilt component of the incident angle, respectively. This result is explained to be due to the focusing effect of channeled ions deflected by the atomic rows at the surface. It is shown that the calculated angular distributions of scattered ions form a half-ring pattern and clear dips appear in the scattering intensity curve along the half-ring. The dips are found to be caused by the blocking for scattered ions by the atomic rows arrayed in the major planar directions. (author)

Theoretical studies of potential energy surfaces and computational methods

Energy Technology Data Exchange (ETDEWEB)

Shepard, R. [Argonne National Laboratory, IL (United States)

1993-12-01

This project involves the development, implementation, and application of theoretical methods for the calculation and characterization of potential energy surfaces involving molecular species that occur in hydrocarbon combustion. These potential energy surfaces require an accurate and balanced treatment of reactants, intermediates, and products. This difficult challenge is met with general multiconfiguration self-consistent-field (MCSCF) and multireference single- and double-excitation configuration interaction (MRSDCI) methods. In contrast to the more common single-reference electronic structure methods, this approach is capable of describing accurately molecular systems that are highly distorted away from their equilibrium geometries, including reactant, fragment, and transition-state geometries, and of describing regions of the potential surface that are associated with electronic wave functions of widely varying nature. The MCSCF reference wave functions are designed to be sufficiently flexible to describe qualitatively the changes in the electronic structure over the broad range of geometries of interest. The necessary mixing of ionic, covalent, and Rydberg contributions, along with the appropriate treatment of the different electron-spin components (e.g. closed shell, high-spin open-shell, low-spin open shell, radical, diradical, etc.) of the wave functions, are treated correctly at this level. Further treatment of electron correlation effects is included using large scale multireference CI wave functions, particularly including the single and double excitations relative to the MCSCF reference space. This leads to the most flexible and accurate large-scale MRSDCI wave functions that have been used to date in global PES studies.

Chapter 8:Surface Characterization

Science.gov (United States)

Mandla A. Tshabalala; Joseph Jakes; Mark R. VanLandingham; Shaoxia Wang; Jouko. Peltonen

2013-01-01

Surface properties of wood play an important role when wood is used or processed into different commodities such as siding, joinery, textiles, paper, sorption media, or wood composites. Thus, for example, the quality and durability of a wood coating are determined by the surface properties of the wood and the coating. The same is true for wood composites where the...

Site characterization field manual for near surface geologic disposal of low-level radioactive waste

International Nuclear Information System (INIS)

McCray, J.G.; Nowatzki, E.A.

1985-01-01

This field manual has been developed to aid states and regions to do a detailed characterization of a proposed near-surface low-level waste disposal site. The field manual is directed at planners, staff personnel and experts in one discipline to acquaint them with the requirements of other disciplines involved in site characterization. While it can provide a good review, it is not designed to tell experts how to do their job within their own discipline

Surface characterization and corrosion behavior of micro-arc oxidized Ti surface modified with hydrothermal treatment and chitosan coating

International Nuclear Information System (INIS)

Neupane, Madhav Prasad; Park, Il Song; Lee, Min Ho

2014-01-01

In the present work, we describe the surface modification of commercially pure titanium (CP-Ti) by a composite/multilayer coating approach for biomedical applications. CP-Ti samples were treated by micro-arc oxidation (MAO) and subsequently some of the samples were coated with chitosan (Chi) by dip coating method, while others were subjected to hydrothermal treatment (HT) followed by chitosan coating. The MAO, MAO/Chi, and MAO/HT/Chi coated Ti were characterized and their characteristics were compared with CP-Ti. X-ray diffraction and scanning electron microscopy were used to assess the structural and morphological characteristics. The average surface roughness was determined using a surface profilometer. The corrosion resistance of untreated and surface modified Ti in commercial saline at 298 K was evaluated by potentiodynamic polarization test. The results indicated that the chitosan coating is very well integrated with the MAO and MAO/HT coating by physically interlocking itself with the coated layer and almost sealed all the pores. The surface roughness of hydrothermally treated and chitosan coated MAO film was superior evidently to that with other sample groups. The corrosion studies demonstrated that the MAO, hydrothermally treated and chitosan coated sample enhanced the corrosion resistance of titanium. The result indicates that fabrication of hydrothermally treated MAO surface coatings with chitosan is a significant approach to protect the titanium from corrosion, hence enhancing the potential use of titanium as bio-implants. - Highlights: • Micro-arc oxidized (MAO) and hydrothermally treated (HT) Ti surfaces are coated with chitosan (Chi). • The MAO/HT/Chi surface exhibits pores sealing and enhanced the surface roughness. • The MAO/HT/Chi surface significantly increase the corrosion resistance. • The MAO/HT/Chi can be a potential surface of titanium for bio-implants

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

Science.gov (United States)

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.

Validation of phalanx bone three-dimensional surface segmentation from computed tomography images using laser scanning

International Nuclear Information System (INIS)

DeVries, Nicole A.; Gassman, Esther E.; Kallemeyn, Nicole A.; Shivanna, Kiran H.; Magnotta, Vincent A.; Grosland, Nicole M.

2008-01-01

To examine the validity of manually defined bony regions of interest from computed tomography (CT) scans. Segmentation measurements were performed on the coronal reformatted CT images of the three phalanx bones of the index finger from five cadaveric specimens. Two smoothing algorithms (image-based and Laplacian surface-based) were evaluated to determine their ability to represent accurately the anatomic surface. The resulting surfaces were compared with laser surface scans of the corresponding cadaveric specimen. The average relative overlap between two tracers was 0.91 for all bones. The overall mean difference between the manual unsmoothed surface and the laser surface scan was 0.20 mm. Both image-based and Laplacian surface-based smoothing were compared; the overall mean difference for image-based smoothing was 0.21 mm and 0.20 mm for Laplacian smoothing. This study showed that manual segmentation of high-contrast, coronal, reformatted, CT datasets can accurately represent the true surface geometry of bones. Additionally, smoothing techniques did not significantly alter the surface representations. This validation technique should be extended to other bones, image segmentation and spatial filtering techniques. (orig.)

Validation of phalanx bone three-dimensional surface segmentation from computed tomography images using laser scanning

Energy Technology Data Exchange (ETDEWEB)

DeVries, Nicole A.; Gassman, Esther E.; Kallemeyn, Nicole A. [The University of Iowa, Department of Biomedical Engineering, Center for Computer Aided Design, Iowa City, IA (United States); Shivanna, Kiran H. [The University of Iowa, Center for Computer Aided Design, Iowa City, IA (United States); Magnotta, Vincent A. [The University of Iowa, Department of Biomedical Engineering, Department of Radiology, Center for Computer Aided Design, Iowa City, IA (United States); Grosland, Nicole M. [The University of Iowa, Department of Biomedical Engineering, Department of Orthopaedics and Rehabilitation, Center for Computer Aided Design, Iowa City, IA (United States)

2008-01-15

To examine the validity of manually defined bony regions of interest from computed tomography (CT) scans. Segmentation measurements were performed on the coronal reformatted CT images of the three phalanx bones of the index finger from five cadaveric specimens. Two smoothing algorithms (image-based and Laplacian surface-based) were evaluated to determine their ability to represent accurately the anatomic surface. The resulting surfaces were compared with laser surface scans of the corresponding cadaveric specimen. The average relative overlap between two tracers was 0.91 for all bones. The overall mean difference between the manual unsmoothed surface and the laser surface scan was 0.20 mm. Both image-based and Laplacian surface-based smoothing were compared; the overall mean difference for image-based smoothing was 0.21 mm and 0.20 mm for Laplacian smoothing. This study showed that manual segmentation of high-contrast, coronal, reformatted, CT datasets can accurately represent the true surface geometry of bones. Additionally, smoothing techniques did not significantly alter the surface representations. This validation technique should be extended to other bones, image segmentation and spatial filtering techniques. (orig.)

Migration characterization of Ga and In adatoms on dielectric surface in selective MOVPE

International Nuclear Information System (INIS)

Chen Wei-Jie; Han Xiao-Biao; Lin Jia-Li; Hu Guo-Heng; Liu Ming-Gang; Yang Yi-Bin; Chen Jie; Wu Zhi-Sheng; Zhang Bai-Jun; Liu Yang

2015-01-01

Migration characterizations of Ga and In adatoms on the dielectric surface in selective metal organic vapor phase epitaxy (MOVPE) were investigated. In the typical MOVPE environment, the selectivity of growth is preserved for GaN, and the growth rate of GaN micro-pyramids is sensitive to the period of the patterned SiO 2 mask. A surface migration induced model was adopted to figure out the effective migration length of Ga adatoms on the dielectric surface. Different from the growth of GaN, the selective area growth of InGaN on the patterned template would induce the deposition of InGaN polycrystalline particles on the patterned SiO 2 mask with a long period. It was demonstrated with a scanning electron microscope and energy dispersive spectroscopy that the In adatoms exhibit a shorter migration length on the dielectric surface. (paper)

Surface and Electrical Characterization of Conjugated Molecular Wires

Science.gov (United States)

Demissie, Abel Tesfahun

This thesis describes the surface and electrical characterization of ultrathin organic films and interfaces. These films were synthesized on the surface of gold by utilizing layer by layer synthesis via imine condensation. Film growth by imine click (condensation) chemistry is particularly useful for molecular electronics experiments because it provides a convenient means to obtain and extend ?-conjugation in the growth direction. However, in the context of film growth from a solid substrate, the reaction yield per step has not been characterized previously, though it is critically important. To address these issues, my research focused on a comprehensive characterization of oligophenyleneimine (OPI) wires via Rutherford backscattering spectrometry (RBS), X-ray photoelectron spectroscopy (XPS), spectroscopic ellipsometry (SE), reflection-absorption infrared spectroscopy (RAIRS), and cyclic voltammetry (CV). In addition, we had the unique opportunity of developing the first of its kind implementation of nuclear reaction analysis (NRA) to probe the intensity of carbon atoms after each addition step. Overall the combination of various techniques indicated that film growth proceeds in a quantitative manner. Furthermore, the NRA experiment was optimized to measure the carbon content in self-assembled monolayers of alkyl thiols. The results indicated well-resolved coverage values for ultrathin films with consecutive steps of 2 carbon atoms per molecule. Another fundamental problem in molecular electronics is the vast discrepancy in the values of measured resistance per molecule between small and large area molecular junctions. In collaboration with researchers at the National University of Singapore, we addressed these issues by comparing the electrical properties of OPI wires with the eutectic gallium indium alloy (EGaIn) junction (1000 mum2), and conducting probe atomic force microscopy (CP-AFM) junction (50 nm2). Our results showed that intensive (i.e., area

Statistical characterization of surface features from tungsten-coated divertor inserts in the DIII-D Metal Rings Campaign

Science.gov (United States)

Adams, Jacob; Unterberg, Ezekial; Chrobak, Christopher; Stahl, Brian; Abrams, Tyler

2017-10-01

Continuing analysis of tungsten-coated inserts from the recent DIII-D Metal Rings Campaign utilizes a statistical approach to study carbon migration and deposition on W surfaces and to characterize the pre- versus post-exposure surface morphology. A TZM base was coated with W using both CVD and PVD and allowed for comparison between the two coating methods. The W inserts were positioned in the lower DIII-D divertor in both the upper (shelf) region and lower (floor) region and subjected to multiple plasma shots, primarily in H-mode. Currently, the post-exposure W inserts are being characterized using SEM/EDX to qualify the surface morphology and to quantify the surface chemical composition. In addition, profilometry is being used to measure the surface roughness of the inserts both before and after plasma exposure. Preliminary results suggest a correlation between the pre-exposure surface roughness and the level of carbon deposited on the surface. Furthermore, ongoing in-depth analysis may reveal insights into the formation mechanism of nanoscale bumps found in the carbon-rich regions of the W surfaces that have not yet been explained. Work supported in part by US DoE under the Science Undergraduate Laboratory Internship (SULI) program and under DE-FC02-04ER54698.

Curves and surfaces for computer-aided geometric design a practical guide

CERN Document Server

Farin, Gerald

1992-01-01

A leading expert in CAGD, Gerald Farin covers the representation, manipulation, and evaluation of geometric shapes in this the Third Edition of Curves and Surfaces for Computer Aided Geometric Design. The book offers an introduction to the field that emphasizes Bernstein-Bezier methods and presents subjects in an informal, readable style, making this an ideal text for an introductory course at the advanced undergraduate or graduate level.The Third Edition includes a new chapter on Topology, offers new exercises and sections within most chapters, combines the material on Geometric Continuity i

CASTp 3.0: computed atlas of surface topography of proteins.

Science.gov (United States)

Tian, Wei; Chen, Chang; Lei, Xue; Zhao, Jieling; Liang, Jie

2018-06-01

Geometric and topological properties of protein structures, including surface pockets, interior cavities and cross channels, are of fundamental importance for proteins to carry out their functions. Computed Atlas of Surface Topography of proteins (CASTp) is a web server that provides online services for locating, delineating and measuring these geometric and topological properties of protein structures. It has been widely used since its inception in 2003. In this article, we present the latest version of the web server, CASTp 3.0. CASTp 3.0 continues to provide reliable and comprehensive identifications and quantifications of protein topography. In addition, it now provides: (i) imprints of the negative volumes of pockets, cavities and channels, (ii) topographic features of biological assemblies in the Protein Data Bank, (iii) improved visualization of protein structures and pockets, and (iv) more intuitive structural and annotated information, including information of secondary structure, functional sites, variant sites and other annotations of protein residues. The CASTp 3.0 web server is freely accessible at http://sts.bioe.uic.edu/castp/.

A 3D edge detection technique for surface extraction in computed tomography for dimensional metrology applications

DEFF Research Database (Denmark)

Yagüe-Fabra, J.A.; Ontiveros, S.; Jiménez, R.

2013-01-01

Many factors influence the measurement uncertainty when using computed tomography for dimensional metrology applications. One of the most critical steps is the surface extraction phase. An incorrect determination of the surface may significantly increase the measurement uncertainty. This paper...... presents an edge detection method for the surface extraction based on a 3D Canny algorithm with sub-voxel resolution. The advantages of this method are shown in comparison with the most commonly used technique nowadays, i.e. the local threshold definition. Both methods are applied to reference standards...

Radioactive Ions for Surface Characterization

CERN Multimedia

2002-01-01

The collaboration has completed a set of pilot experiments with the aim to develop techniques for using radioactive nuclei in surface physics. The first result was a method for thermal deposition of isolated atoms (Cd, In, Rb) on clean metallic surfaces. \\\\ \\\\ Then the diffusion history of deposited Cd and In atoms on two model surfaces, Mo(110) and Pd(111), was followed through the electric field gradients (efg) acting at the probe nuclei as measured with the Perturbed Angular Correlation technique. For Mo(110) a rather simple history of the adatoms was inferred from the experiments: Atoms initially landing at terrace sites diffuse from there to ledges and then to kinks, defects always present at real surfaces. The next stage is desorption from the surface. For Pd a scenario that goes still further was found. Following the kink stage the adatoms get incorporated into ledges and finally into the top surface layer. For all these five sites the efg's could be measured.\\\\ \\\\ In preparation for a further series o...

Surface parameter characterization of surface vibrations in linear chains

International Nuclear Information System (INIS)

Majlis, N.; Selzer, S.; Puszkarski, H.; Diep-The-Hung

1982-12-01

We consider the vibrations of a linear monatomic chain with a complex surface potential defined by the surface pinning parameter a=Aesup(-i psi). It is found that in the case of a semi-infinite chain a is connected with the surface vibration wave number k=s+it by the exact relations: s=psi, t=lnA. We also show that the solutions found can be regarded as approximate ones (in the limit L>>1) for surface vibrations of a finite chain consisting of L atoms. (author)

Multi-scale characterization of surface blistering morphology of helium irradiated W thin films

International Nuclear Information System (INIS)

Yang, J.J.; Zhu, H.L.; Wan, Q.; Peng, M.J.; Ran, G.; Tang, J.; Yang, Y.Y.; Liao, J.L.; Liu, N.

2015-01-01

Highlights: • Multi-scale blistering morphology of He irradiated W film was studied. • This complex morphology was first characterized by wavelet transform approach. - Abstract: Surface blistering morphologies of W thin films irradiated by 30 keV He ion beam were studied quantitatively. It was found that the blistering morphology strongly depends on He fluence. For lower He fluence, the accumulation and growth of He bubbles induce the intrinsic surface blisters with mono-modal size distribution feature. When the He fluence is higher, the film surface morphology exhibits a multi-scale property, including two kinds of surface blisters with different characteristic sizes. In addition to the intrinsic He blisters, film/substrate interface delamination also induces large-sized surface blisters. A strategy based on wavelet transform approach was proposed to distinguish and extract the multi-scale surface blistering morphologies. Then the density, the lateral size and the height of these different blisters were estimated quantitatively, and the effect of He fluence on these geometrical parameters was investigated. Our method could provide a potential tool to describe the irradiation induced surface damage morphology with a multi-scale property

Computational Study of Environmental Effects on Torsional Free Energy Surface of N-Acetyl-N'-methyl-L-alanylamide Dipeptide

Science.gov (United States)

Carlotto, Silvia; Zerbetto, Mirco

2014-01-01

We propose an articulated computational experiment in which both quantum mechanics (QM) and molecular mechanics (MM) methods are employed to investigate environment effects on the free energy surface for the backbone dihedral angles rotation of the small dipeptide N-Acetyl-N'-methyl-L-alanylamide. This computation exercise is appropriate for an…

Characterization of internal surface finishing of tubes for CAREM 25 fuel rods

International Nuclear Information System (INIS)

Loureiro, N.V; Juarez, G; Bianchi, D; Flores, A; Vizcaino, P

2012-01-01

One of the factors that ensure the good behavior of the fuel claddings of the nuclear power reactors is the internal surface quality. In the present work has been carried out a study of the internal surface of the tube after a cold rolling process developed in the Departamento de Tecnologia de Aleaciones de Circonio and applied by FAE-SA and PPFAE-CNEA in each rolling stage to obtain the fuel claddings for the reactor CAREM 25. The inner surface has been observed by scanning electron microscopy, SEM, being the objective of this study to verify not only the good internal surface but also infer about how starting from tubes of different initial diameter reduction the quality of the final product will be affected. The manufacturing process of the tubes for this new fuel went through modifications during the development, adding intermediate chemical pickling stages in order to improve the internal surface quality of the final product. From determinations made with ultrasound, the defects charts obtained made it possible to compare the observed signals more relevant and the micrographs in these areas in order to characterize possible defects (author)

Computational model for squamous cells characterization during cervical smear cytology

Directory of Open Access Journals (Sweden)

Víctor Eduardo Martínez Abaunza

2005-07-01

Full Text Available The main goal of the work done by the Biomedical Engineering Research Group (GIIB, and the Structural, Functional and Clinical Pathology Research Group of the Industrial University of Santander (UIS, with Autonomous University of Bucaramanga (UNAB, was to construct a computational model allowing squamous cells characterization of cervical smear cytology to classify them as being either normal or abnormal cells. Slides containing the cell samples were colleted by the pathologist and the images were digitalized by a video-camera coupled to a microscope and connected to a frame acquisition device. Three thresholding algorithms were used, in image segmentation, allowing cell nuclei detection; manual thresholding was used when these algorithms failed to detect cytoplasm. Cell texture was described by the distribution of histogram in each color level, and the borders using Fourier descriptors. The results of the first phase are presented, implementing them in classifying and identifying normal cells. Later stages will involve characterizing each cells stage initially classified as presenting some reactive change or due to infection, to distinguish the reactive cells of intraepithelial lesion cells. Key words: image processing, mathematical morphology, cervical smear cytology, dysplasia, cancer of cervix.

Characterization of uranium in surface-waters collected at the Rocky Flats Facility

International Nuclear Information System (INIS)

Efurd, D.W.; Rokop, D.J.; Aguilar, R.D.; Roensch, F.R.; Perrin, R.E.; Banar, J.C.

1994-01-01

The Rocky Flats Plant (RFP) is a Department of Energy (DOE) facility where plutonium and uranium components were manufactured for nuclear weapons. During plant operations radioactivity was inadvertently released into the environment. This study was initiated to characterize the uranium present in surface-waters at RFP. Three drainage basins and natural ephemeral streams transverse RFP. The Woman Creek drainage basin traverses and drains the southern portion of the site. The Rock Creek drainage basin drains the northwestern portion of the plant complex. The Walnut Creek drainage basin traverses the western, northern, and northeastern portions of the RFP site. Dams, detention ponds, diversion structures, and ditches have been constructed at RFP to control the release of plant discharges and surface (storm water) runoff. The ponds located downstream of the plant complex on North Walnut Creek are designated A-1 through A-4. Ponds on South Walnut Creek are designated B-1 through B-5. The ponds in the Woman Creek drainage basin are designated C-1 and C-2. Water samples were collected from each pond and the uranium was characterized by TIMS measurement techniques

A Lagrangian cylindrical coordinate system for characterizing dynamic surface geometry of tubular anatomic structures.

Science.gov (United States)

Lundh, Torbjörn; Suh, Ga-Young; DiGiacomo, Phillip; Cheng, Christopher

2018-03-03

Vascular morphology characterization is useful for disease diagnosis, risk stratification, treatment planning, and prediction of treatment durability. To quantify the dynamic surface geometry of tubular-shaped anatomic structures, we propose a simple, rigorous Lagrangian cylindrical coordinate system to monitor well-defined surface points. Specifically, the proposed system enables quantification of surface curvature and cross-sectional eccentricity. Using idealized software phantom examples, we validate the method's ability to accurately quantify longitudinal and circumferential surface curvature, as well as eccentricity and orientation of eccentricity. We then apply the method to several medical imaging data sets of human vascular structures to exemplify the utility of this coordinate system for analyzing morphology and dynamic geometric changes in blood vessels throughout the body. Graphical abstract Pointwise longitudinal curvature of a thoracic aortic endograft surface for systole and diastole, with their absolute difference.

Surface modification, characterization and adsorptive properties of a coconut activated carbon

Energy Technology Data Exchange (ETDEWEB)

Lu Xincheng [Institute of Chemical Industry of Forest Products, CAF, National Engineering Lab. for Biomass Chemical Utilization, Key and Open Lab. of Forest Chemical Engineering, SFA, Key Lab. of Biomass Energy and Material, Jiangsu Province, Suojin wucun 16, Nanjing 210042 (China); Jiang Jianchun, E-mail: lhs_ac2011@yahoo.cn [Institute of Chemical Industry of Forest Products, CAF, National Engineering Lab. for Biomass Chemical Utilization, Key and Open Lab. of Forest Chemical Engineering, SFA, Key Lab. of Biomass Energy and Material, Jiangsu Province, Suojin wucun 16, Nanjing 210042 (China); Sun Kang; Xie Xinping; Hu Yiming [Institute of Chemical Industry of Forest Products, CAF, National Engineering Lab. for Biomass Chemical Utilization, Key and Open Lab. of Forest Chemical Engineering, SFA, Key Lab. of Biomass Energy and Material, Jiangsu Province, Suojin wucun 16, Nanjing 210042 (China)

2012-08-01

A coconut activated carbon was modified using chemical methods. Different concentration of nitric acid oxidation of the conventional sample produced samples with weakly acidic functional groups. The oxidized samples were characterized by scanning electron micrograph, nitrogen absorption-desorption, Fourier transform infra red spectroscopy, Bothem method, pH titration, adsorption capacity of sodium and formaldehyde, and the adsorption mechanism of activated carbons was investigated. The results showed that BET surface area and pore volume of activated carbons were decreased after oxidization process, while acidic functional groups were increased. The surface morphology of oxidized carbons looked clean and eroded which was caused by oxidization of nitric acid. The oxidized carbons showed high adsorption capacity of sodium and formaldehyde, and chemical properties of activated carbon played an important role in adsorption of metal ions and organic pollutants.

Surface topography characterization using an atomic force microscope mounted on a coordinate measuring machine

DEFF Research Database (Denmark)

De Chiffre, Leonardo; Hansen, H.N; Kofod, N

1999-01-01

The paper describes the construction, testing and use of an integrated system for topographic characterization of fine surfaces on parts having relatively big dimensions. An atomic force microscope (AFM) was mounted on a manual three-coordinate measuring machine (CMM) achieving free positioning o...

Computation of the temperatures of a fluid flowing through a pipe from temperature measurements on the pipe's outer surface

International Nuclear Information System (INIS)

Sauer, G.

1999-01-01

A method for computing the temperatures of a fluid flowing through a pipe on the basis of temperatures recorded at the pipe's outer surface is presented. The heat conduction in the pipe wall is described by one-dimensional heat conduction elements. Heat transfer between fluid, pipe and surrounding is allowed for. The equation system resulting from the standard finite element discretization is reformulated to enable the computation of temperature events preceding the recorded temperature in time. It is shown that the method can be used to identify the actual fluid temperature from temperature data obtained only at the outer surface of the pipe. The temperatures in the pipe wall are computed with good accuracy even in the case of a severe thermal shock. (orig.) [de

Computer program for post-flight evaluation of the control surface response for an attitude controlled missile

Science.gov (United States)

Knauber, R. N.

1982-01-01

A FORTRAN IV coded computer program is presented for post-flight analysis of a missile's control surface response. It includes preprocessing of digitized telemetry data for time lags, biases, non-linear calibration changes and filtering. Measurements include autopilot attitude rate and displacement gyro output and four control surface deflections. Simple first order lags are assumed for the pitch, yaw and roll axes of control. Each actuator is also assumed to be represented by a first order lag. Mixing of pitch, yaw and roll commands to four control surfaces is assumed. A pseudo-inverse technique is used to obtain the pitch, yaw and roll components from the four measured deflections. This program has been used for over 10 years on the NASA/SCOUT launch vehicle for post-flight analysis and was helpful in detecting incipient actuator stall due to excessive hinge moments. The program is currently set up for a CDC CYBER 175 computer system. It requires 34K words of memory and contains 675 cards. A sample problem presented herein including the optional plotting requires eleven (11) seconds of central processor time.

Multiscale analysis of replication technique efficiency for 3D roughness characterization of manufactured surfaces

Science.gov (United States)

Jolivet, S.; Mezghani, S.; El Mansori, M.

2016-09-01

The replication of topography has been generally restricted to optimizing material processing technologies in terms of statistical and single-scale features such as roughness. By contrast, manufactured surface topography is highly complex, irregular, and multiscale. In this work, we have demonstrated the use of multiscale analysis on replicates of surface finish to assess the precise control of the finished replica. Five commercial resins used for surface replication were compared. The topography of five standard surfaces representative of common finishing processes were acquired both directly and by a replication technique. Then, they were characterized using the ISO 25178 standard and multiscale decomposition based on a continuous wavelet transform, to compare the roughness transfer quality at different scales. Additionally, atomic force microscope force modulation mode was used in order to compare the resins’ stiffness properties. The results showed that less stiff resins are able to replicate the surface finish along a larger wavelength band. The method was then tested for non-destructive quality control of automotive gear tooth surfaces.

Organic surfaces exposed by self-assembled organothiol monolayers: Preparation, characterization, and application

Science.gov (United States)

Kind, Martin; Wöll, Christof

2009-07-01

Organic surfaces play a major role in materials science. Most surfaces that we touch in our daily lives are made from organic materials, e.g., vegetables, fruit, skin, wood, and textiles made from natural fibers. In the context of biology, organic surfaces play a prominent role too, proteins docking onto cell surfaces are a good example. To better understand the characteristics of organic surfaces, including physico-chemical properties like wettability or chemical reactivities and physical properties like friction and lubrication, a structurally well-defined model system that can be investigated with numerous analytical techniques is desirable. In the last two decades, one particular system, self-assembled monolayers or SAMs, have demonstrated their suitability for this purpose. In particular, organothiols consisting of an organic molecule with an attached SH-group are well suited to fabricating structurally well-defined adlayers of monolayer thickness on gold substrates using a simple preparation procedure. These ultrathin monolayers expose an organic surface with properties that can be tailored by varying the type of organothiol employed. After a short introduction into the preparation of SAMs, this article provides an overview of the possibilities and limitations of organic surfaces exposed by Au-thiolate SAMs. Applications are as diverse as the metallization of organic surfaces, a fundamental problem in materials science, and the fabrication of surfaces that resist the adsorption of proteins. In addition to a number of different case studies, we will also discuss the most powerful analytical techniques needed to characterize these important model systems.

Comparison between conventional tomography and computer tomography in diseases of the sacroiliac joints

International Nuclear Information System (INIS)

Moritz, J.D.; Ganter, H.; Winter, C.; Evangelisches Krankenhaus, Giessen

1990-01-01

16 patients with diseases of the sacroiliac joints were examined both with computer tomography and with conventional tomography. Both techniques were characterized by a high sensitivity. Computer tomography was superior in exactly delineating the extent of the pathologic changes. In conventional tomography the joint surface was more blurred, erosions were larger, and signs of ankylosis were more expanded, so that the joints seemed to be more altered in 8 cases than demonstrated by computer tomography. Very accurate changes like subchondral cysts were recognized only in the computer tomograms. In all cases in which anteroposterior radiographs revealed no clear result, the authors recommend to additionally employ computer tomography. (orig.) [de

Surface and subsurface characterization of uranium contamination at the Fernald environmental management site

International Nuclear Information System (INIS)

Schilk, A.J.; Perkins, R.W.; Abel, K.H.; Brodzinski, R.L.

1993-04-01

The past operations of uranium production and support facilities at several Department of Energy (DOE) sites have occasionally resulted in the local contamination of some surface and subsurface soils, and the three-dimensional distribution of the uranium at these sites must be thoroughly characterized before any effective remedial protocols can be established. To this end, Pacific Northwest Laboratory (PNL) has been tasked by the DOE's Office of Technology Development with adapting, developing, and demonstrating technologies for the measurement of uranium in surface and subsurface soils at the Fernald Uranium in Soils Integrated Demonstration site. These studies are detailed in this report

Computer simulation study of the displacement threshold-energy surface in Cu

International Nuclear Information System (INIS)

King, W.E.; Benedek, R.

1981-01-01

Computer simulations were performed using the molecular-dynamics technique to determine the directional dependence of the threshold energy for production of stable Frenkel pairs in copper. Sharp peaks were observed in the simulated threshold energy surface in between the low-index directions. Threshold energies ranged from approx.25 eV for directions near or to 180 eV at the position of the peak between and . The general topographical features of the simulated threshold-energy surface are in good agreement with those determined from an analysis of recent experiments by King et al. on the basis of a Frenkel-pair resistivity rho/sub F/ = 2.85 x 10 -4 Ω cm. Evidence is presented in favor of this number as opposed to the usually assumed value, rho/sub F/ = 2.00 x 10 -4 Ω cm. The energy dependence of defect production in a number of directions was investigated to determine the importance of nonproductive events above threshold

Characterization of Emissions and Residues from Simulations of the Deepwater Horizon Surface Oil Burns

Science.gov (United States)

The surface oil burns conducted by the U.S. Coast Guard from April to July 2010 during the Deepwater Horizon disaster in the Gulf of Mexico were simulated by small scale burns to characterize the pollutants, determine emission factors, and gather particulate matter for subsequent...

Contribution of multi-temporal remote sensing images to characterize landslide slip surface ‒ Application to the La Clapière landslide (France

Directory of Open Access Journals (Sweden)

B. Casson

2005-01-01

Full Text Available Landslide activity is partly controlled by the geometry of the slip surface. This activity is traduced at the surface by displacements and topographic variations. Consequently, multi-temporal remote sensing images can be used in order to characterize the geometry of landslide slip surface and its spatial and temporal evolution. Differential Digital Elevation Models (DEMs are obtained by subtracting two DEMs of different years. A method of multi-temporal images correlation allows to generate displacement maps that can be interpreted in terms of velocity and direction of movements. These data are then used to characterize qualitatively the geometry of the slip surface of the la Clapière landslide (French Southern Alps. Distribution of displacement vectors and of topographic variations are in accordance with a curved slip surface, characterizing a preferential rotational behaviour of this landslide. On the other hand, a spatial and temporal evolution of the geometry of the slip surface is pointed out. Indeed, a propagation of the slip surface under the Iglière bar, in the W part of the landslide, is suspected and can be linked to the acceleration of the landslide in 1987. This study shows the high potential of multi-temporal remote sensing images for slip surface characterization. Although this method could not replace in situ investigations, it can really help to well distribute geophysical profiles or boreholes on unstable areas.

Advanced Surface and Microstructural Characterization of Natural Graphite Anodes for Lithium Ion Batteries

Energy Technology Data Exchange (ETDEWEB)

Gallego, Nidia C [ORNL; Contescu, Cristian I [ORNL; Meyer III, Harry M [ORNL; Howe, Jane Y [ORNL; Meisner, Roberta Ann [ORNL; Payzant, E Andrew [ORNL; Lance, Michael J [ORNL; Yoon, Steve [A123 Systems, Inc.; Denlinger, Matthew [A123 Systems, Inc.; Wood III, David L [ORNL

2014-01-01

Natural graphite powders were subjected to a series of thermal treatments in order to improve the anode irreversible capacity loss (ICL) and capacity retention during long-term cycling of lithium ion batteries. A baseline thermal treatment in inert Ar or N2 atmosphere was compared to cases with a proprietary additive to the furnace gas environment. This additive substantially altered the surface chemistry of the natural graphite powders and resulted in significantly improved long-term cycling performance of the lithium ion batteries over the commercial natural graphite baseline. Different heat-treatment temperatures were investigated ranging from 950-2900 C with the intent of achieving the desired long-term cycling performance with as low of a maximum temperature and thermal budget as possible. A detailed summary of the characterization data is also presented, which includes X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and temperature-programed desorption mass spectroscopy (TPD-MS). This characterization data was correlated to the observed capacity fade improvements over the course of long-term cycling at high charge-discharge rates in full lithium-ion coin cells. It is believed that the long-term performance improvements are a result of forming a more stable solid electrolyte interface (SEI) layer on the anode graphite surfaces, which is directly related to the surface chemistry modifications imparted by the proprietary gas environment during thermal treatment.

Surface Characterization and Electrochemical Oxidation of Metal Doped Uranium Dioxide

Energy Technology Data Exchange (ETDEWEB)

Lee, Jeongmook; Kim, Jandee; Youn, Young-Sang; Kim, Jong-Goo; Ha, Yeong-Keong; Kim, Jong-Yun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2016-10-15

Trivalent element in UO{sub 2} matrix makes the oxygen vacancy from loss of oxygen for charge compensation. Tetravalent element alters lattice parameter of UO{sub 2} due to diameter difference between the tetravalent element and replaced U. These structural changes have significant effect on not only relevant fuel performance but also the kinetics of fuel oxidation. Park and Olander explained the stabilization of Ln (III)-doped UO{sub 2} against oxidation based on oxygen potential calculations. In this work, we have been investigated the effect of Gd{sup 3+} and Th{sup 4+} doping on the UO{sub 2} structure with Raman spectroscopy and X-ray diffraction to characterize the surface structure of nuclear fuel material. For Gd doped UO{sub 2}, its electrochemical oxidation behaviors are also investigated. The Gd and Th doped uranium dioxide solid solution pellets with various doping level were investigated by XRD, Raman spectroscopy, SEM, electrochemical experiments to investigate surface structure and electro chemical oxidation behaviors. The lattice parameter evaluated from XRD spectra indicated the formation of solid solutions. Raman spectra showed the existence of the oxygen vacancy. SEM images showed the grain structure on the surface of Gd doped uranium dioxide depending on doping level and oxygen-to-metal ratio.

Computational Sensing of Staphylococcus aureus on Contact Lenses Using 3D Imaging of Curved Surfaces and Machine Learning.

Science.gov (United States)

Veli, Muhammed; Ozcan, Aydogan

2018-03-27

We present a cost-effective and portable platform based on contact lenses for noninvasively detecting Staphylococcus aureus, which is part of the human ocular microbiome and resides on the cornea and conjunctiva. Using S. aureus-specific antibodies and a surface chemistry protocol that is compatible with human tears, contact lenses are designed to specifically capture S. aureus. After the bacteria capture on the lens and right before its imaging, the captured bacteria are tagged with surface-functionalized polystyrene microparticles. These microbeads provide sufficient signal-to-noise ratio for the quantification of the captured bacteria on the contact lens, without any fluorescent labels, by 3D imaging of the curved surface of each lens using only one hologram taken with a lens-free on-chip microscope. After the 3D surface of the contact lens is computationally reconstructed using rotational field transformations and holographic digital focusing, a machine learning algorithm is employed to automatically count the number of beads on the lens surface, revealing the count of the captured bacteria. To demonstrate its proof-of-concept, we created a field-portable and cost-effective holographic microscope, which weighs 77 g, controlled by a laptop. Using daily contact lenses that are spiked with bacteria, we demonstrated that this computational sensing platform provides a detection limit of ∼16 bacteria/μL. This contact-lens-based wearable sensor can be broadly applicable to detect various bacteria, viruses, and analytes in tears using a cost-effective and portable computational imager that might be used even at home by consumers.

Photodeposited diffractive optical elements of computer generated masks

International Nuclear Information System (INIS)

Mirchin, N.; Peled, A.; Baal-Zedaka, I.; Margolin, R.; Zagon, M.; Lapsker, I.; Verdyan, A.; Azoulay, J.

2005-01-01

Diffractive optical elements (DOE) were synthesized on plastic substrates using the photodeposition (PD) technique by depositing amorphous selenium (a-Se) films with argon lasers and UV spectra light. The thin films were deposited typically onto polymethylmethacrylate (PMMA) substrates at room temperature. Scanned beam and contact mask modes were employed using computer-designed DOE lenses. Optical and electron micrographs characterize the surface details. The films were typically 200 nm thick

High performance workflow implementation for protein surface characterization using grid technology

Directory of Open Access Journals (Sweden)

Clematis Andrea

2005-12-01

Full Text Available Abstract Background This study concerns the development of a high performance workflow that, using grid technology, correlates different kinds of Bioinformatics data, starting from the base pairs of the nucleotide sequence to the exposed residues of the protein surface. The implementation of this workflow is based on the Italian Grid.it project infrastructure, that is a network of several computational resources and storage facilities distributed at different grid sites. Methods Workflows are very common in Bioinformatics because they allow to process large quantities of data by delegating the management of resources to the information streaming. Grid technology optimizes the computational load during the different workflow steps, dividing the more expensive tasks into a set of small jobs. Results Grid technology allows efficient database management, a crucial problem for obtaining good results in Bioinformatics applications. The proposed workflow is implemented to integrate huge amounts of data and the results themselves must be stored into a relational database, which results as the added value to the global knowledge. Conclusion A web interface has been developed to make this technology accessible to grid users. Once the workflow has started, by means of the simplified interface, it is possible to follow all the different steps throughout the data processing. Eventually, when the workflow has been terminated, the different features of the protein, like the amino acids exposed on the protein surface, can be compared with the data present in the output database.

THE INTEGRATED USE OF COMPUTATIONAL CHEMISTRY, SCANNING PROBE MICROSCOPY, AND VIRTUAL REALITY TO PREDICT THE CHEMICAL REACTIVITY OF ENVIRONMENTAL SURFACES

Science.gov (United States)

In the last decade three new techniques scanning probe microscopy (SPM), virtual reality (YR) and computational chemistry ave emerged with the combined capability of a priori predicting the chemically reactivity of environmental surfaces. Computational chemistry provides the cap...

N and Cr ion implantation of natural ruby surfaces and their characterization

Energy Technology Data Exchange (ETDEWEB)

Rao, K. Sudheendra; Sahoo, Rakesh K.; Dash, Tapan [CSIR-Institute of Minerals and Materials Technology, Bhubaneswar 751013 (India); Magudapathy, P.; Panigrahi, B.K. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Nayak, B.B.; Mishra, B.K. [CSIR-Institute of Minerals and Materials Technology, Bhubaneswar 751013 (India)

2016-04-15

Highlights: • Cr and N ion implantation on natural rubies of low aesthetic quality. • Cr-ion implantation improves colour tone from red to deep red (pigeon eye red). • N-ion implantation at fluence of 3 × 10{sup 17} causes blue coloration on surface. • Certain extent of amorphization is observed in the case of N-ion implantation. - Abstract: Energetic ions of N and Cr were used to implant the surfaces of natural rubies (low aesthetic quality). Surface colours of the specimens were found to change after ion implantation. The samples without and with ion implantation were characterized by diffuse reflectance spectra in ultra violet and visible region (DRS-UV–Vis), field emission scanning electron microscopy (FESEM), selected area electron diffraction (SAED) and nano-indentation. While the Cr-ion implantation produced deep red surface colour (pigeon eye red) in polished raw sample (without heat treatment), the N-ion implantation produced a mixed tone of dark blue, greenish blue and violet surface colour in the heat treated sample. In the case of heat treated sample at 3 × 10{sup 17} N-ions/cm{sup 2} fluence, formation of colour centres (F{sup +}, F{sub 2}, F{sub 2}{sup +} and F{sub 2}{sup 2+}) by ion implantation process is attributed to explain the development of the modified surface colours. Certain degree of surface amorphization was observed to be associated with the above N-ion implantation.

Surface modification and characterization of indium-tin oxide for organic light-emitting devices.

Science.gov (United States)

Zhong, Z Y; Jiang, Y D

2006-10-15

In this work, we used different treatment methods (ultrasonic degreasing, hydrochloric acid treatment, and oxygen plasma) to modify the surfaces of indium-tin oxide (ITO) substrates for organic light-emitting devices. The surface properties of treated ITO substrates were studied by atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), sheet resistance, contact angle, and surface energy measurements. Experimental results show that the ITO surface properties are closely related to the treatment methods, and the oxygen plasma is more efficient than the other treatments since it brings about smoother surfaces, lower sheet resistance, higher work function, and higher surface energy and polarity of the ITO substrate. Moreover, polymer light-emitting electrochemical cells (PLECs) with differently treated ITO substrates as device electrodes were fabricated and characterized. It is found that surface treatments of ITO substrates have a certain degree of influence upon the injection current, brightness, and efficiency, but hardly upon the turn-on voltages of current injection and light emission, which are in agreement with the measured optical energy gap of the electroluminescent polymer. The oxygen plasma treatment on the ITO substrate yields the best performance of PLECs, due to the improvement of interface formation and electrical contact of the ITO substrate with the polymer blend in the PLECs.

Characterizing water-metal interfaces and machine learning potential energy surfaces

Science.gov (United States)

Ryczko, Kevin

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Near-surface processing on AlGaN/GaN heterostructures: a nanoscale electrical and structural characterization

Directory of Open Access Journals (Sweden)

Greco Giuseppe

2011-01-01

Full Text Available Abstract The effects of near-surface processing on the properties of AlGaN/GaN heterostructures were studied, combining conventional electrical characterization on high-electron mobility transistors (HEMTs, with advanced characterization techniques with nanometer scale resolution, i.e., transmission electron microscopy, atomic force microscopy (AFM and conductive atomic force microscopy (C-AFM. In particular, a CHF3-based plasma process in the gate region resulted in a shift of the threshold voltage in HEMT devices towards less negative values. Two-dimensional current maps acquired by C-AFM on the sample surface allowed us to monitor the local electrical modifications induced by the plasma fluorine incorporated in the material. The results are compared with a recently introduced gate control processing: the local rapid thermal oxidation process of the AlGaN layer. By this process, a controlled thin oxide layer on surface of AlGaN can be reliably introduced while the resistance of the layer below increase locally.

Near-surface processing on AlGaN/GaN heterostructures: a nanoscale electrical and structural characterization.

Science.gov (United States)

Greco, Giuseppe; Giannazzo, Filippo; Frazzetto, Alessia; Raineri, Vito; Roccaforte, Fabrizio

2011-02-11

The effects of near-surface processing on the properties of AlGaN/GaN heterostructures were studied, combining conventional electrical characterization on high-electron mobility transistors (HEMTs), with advanced characterization techniques with nanometer scale resolution, i.e., transmission electron microscopy, atomic force microscopy (AFM) and conductive atomic force microscopy (C-AFM). In particular, a CHF3-based plasma process in the gate region resulted in a shift of the threshold voltage in HEMT devices towards less negative values. Two-dimensional current maps acquired by C-AFM on the sample surface allowed us to monitor the local electrical modifications induced by the plasma fluorine incorporated in the material.The results are compared with a recently introduced gate control processing: the local rapid thermal oxidation process of the AlGaN layer. By this process, a controlled thin oxide layer on surface of AlGaN can be reliably introduced while the resistance of the layer below increase locally.

Electronic and structural characterizations of unreconstructed {l_brace}0001{r_brace} surfaces and the growth of graphene overlayers

Energy Technology Data Exchange (ETDEWEB)

Emtsev, Konstantin

2009-06-03

The present work is focused on the characterization of the clean unreconstructed SiC{l_brace}0001{r_brace} surfaces and the growth of graphene overlayers thereon. Electronic properties of SiC surfaces and their interfaces with graphene and few layer graphene films were investigated by means of angle resolved photoelectron spectroscopy, X-ray photoelectron spectroscopy and low energy electron diffraction. Structural characterizations of the epitaxial graphene films grown on SiC were carried out by atomic force microscopy and low energy electron microscopy. Supplementary data was obtained by scanning tunneling microscopy. (orig.)

Real-time, automated characterization of surfaces for alpha and beta radiation

International Nuclear Information System (INIS)

Egidi, P.V.

1997-01-01

A new data collection system, called ABACUS trademark, has been developed that automates and expedites the collection, conversion, and reporting of radiological survey data of surfaces. Field testing of the system by Oak Ridge National Laboratory/Environmental Technology Section is currently underway. Preliminary results are presented. The system detects, discriminates, and separately displays the results for alpha and beta contamination scans on floors and walls with a single pass. Fixed-position static counting is also possible for quantitative measuring. The system is currently configured with five 100 cm 2 dual-phosphor plastic scintillation detectors mounted in a lightweight aluminum fixture that holds the detectors in a fixed array. ABACUS trademark can be configured with other detectors if desired. Ratemeter/scalars traditionally coupled to individual detectors have been replaced by a single unit that houses the power supply and discriminator circuit boards to support up to five detectors. The system is designed to be used by a single operator. Each detector's position and data are transmitted once per second and recorded on a nearby laptop computer. The data are converted to appropriate units, color-coded, and mapped to display graphically the findings for each detector in real-time. Reports can be generated immediately following the survey. Survey data can be exported in a variety of formats. Benefits of ABACUS trademark are: (1) immediate feedback to decision makers using the observational approach to characterization or remediation, (2) thorough documentation of survey results, (3) increased statistical confidence in scans by recording counts every second, (4) reduced paperwork and elimination of transcription errors, and (5) time and cost savings for collection, conversion, mapping, evaluating, and reporting data over traditional methods

Characterization of size, surface charge, and agglomeration state of nanoparticle dispersions for toxicological studies

International Nuclear Information System (INIS)

Jiang Jingkun; Oberdoerster, Guenter; Biswas, Pratim

2009-01-01

Characterizing the state of nanoparticles (such as size, surface charge, and degree of agglomeration) in aqueous suspensions and understanding the parameters that affect this state are imperative for toxicity investigations. In this study, the role of important factors such as solution ionic strength, pH, and particle surface chemistry that control nanoparticle dispersion was examined. The size and zeta potential of four TiO 2 and three quantum dot samples dispersed in different solutions (including one physiological medium) were characterized. For 15 nm TiO 2 dispersions, the increase of ionic strength from 0.001 M to 0.1 M led to a 50-fold increase in the hydrodynamic diameter, and the variation of pH resulted in significant change of particle surface charge and the hydrodynamic size. It was shown that both adsorbing multiply charged ions (e.g., pyrophosphate ions) onto the TiO 2 nanoparticle surface and coating quantum dot nanocrystals with polymers (e.g., polyethylene glycol) suppressed agglomeration and stabilized the dispersions. DLVO theory was used to qualitatively understand nanoparticle dispersion stability. A methodology using different ultrasonication techniques (bath and probe) was developed to distinguish agglomerates from aggregates (strong bonds), and to estimate the extent of particle agglomeration. Probe ultrasonication performed better than bath ultrasonication in dispersing TiO 2 agglomerates when the stabilizing agent sodium pyrophosphate was used. Commercially available Degussa P25 and in-house synthesized TiO 2 nanoparticles were used to demonstrate identification of aggregated and agglomerated samples.

Efficient computer program EPAS-J1 for calculating stress intensity factors of three-dimensional surface cracks

International Nuclear Information System (INIS)

Miyazaki, Noriyuki; Watanabe, Takayuki; Yagawa, Genki.

1982-03-01

A finite element computer program EPAS-J1 was developed to calculate the stress intensity factors of three-dimensional cracks. In the program, the stress intensity factor is determined by the virtual crack extension method together with the distorted elements allocated along the crack front. This program also includes the connection elements based on the Lagrange multiplier concept to connect such different kinds of elements as the solid and shell elements, or the shell and beam elements. For the structure including three-dimensional surface cracks, the solid elements are employed only at the neighborhood of a surface crack, while the remainder of the structure is modeled by the shell or beam elements due to the reason that the crack singularity is very local. Computer storage and computational time can be highly reduced with the application of the above modeling technique for the calculation of the stress intensity factors of the three-dimensional surface cracks, because the three-dimensional solid elements are required only around the crack front. Several numerical analyses were performed by the EPAS-J1 program. At first, the accuracies of the connection element and the virtual crack extension method were confirmed using the simple structures. Compared with other techniques of connecting different kinds of elements such as the tying method or the method using anisotropic plate element, the present connection element is found to provide better results than the others. It is also found that the virtual crack extension method provides the accurate stress intensity factor. Furthermore, the results are also presented for the stress intensity factor analyses of cylinders with longitudinal or circumferential surface cracks using the combination of the various kinds of elements together with the connection elements. (author)

Surface, interface and bulk materials characterization using Indus synchrotron sources

International Nuclear Information System (INIS)

Phase, Deodatta M.

2014-01-01

Synchrotron radiation sources, providing intense, polarized and stable beams of ultra violet, soft and hard x-ray photons, are having great impact on physics, chemistry, biology, materials science and other areas research. In particular synchrotron radiation has revolutionized materials characterization techniques by enhancing its capabilities for investigating the structural, electronic and magnetic properties of solids. The availability of synchrotron sources and necessary instrumentation has led to considerable improvements in spectral resolution and intensities. As a result, application scope of different materials characterization techniques has tremendously increased particularly in the analysis of solid surfaces, interfaces and bulk materials. The Indian synchrotron storage ring, Indus-1 and Indus-2 are in operation at RRCAT, Indore. The UGC-DAE CSR with the help of university scientist had designed and developed an angle integrated photoelectron spectroscopy (AlPES) beam line on Indus-1 storage ring of 450 MeV and polarized light beam line for soft x-ray absorption spectroscopy (SXAS) on Indus-2 storage ring of 2.5 GeV. (author)

Surface characterization of Nb samples electropolished with real superconducting rf accelerator cavities

Directory of Open Access Journals (Sweden)

Xin Zhao

2010-12-01

Full Text Available We report the results of surface characterizations of niobium (Nb samples electropolished together with a single cell superconducting radio-frequency accelerator cavity. These witness samples were located in three regions of the cavity, namely at the equator, the iris, and the beam pipe. Auger electron spectroscopy was utilized to probe the chemical composition of the topmost four atomic layers. Scanning electron microscopy with energy dispersive x ray for elemental analysis was used to observe the surface topography and chemical composition at the micrometer scale. A few atomic layers of sulfur (S were found covering the samples nonuniformly. Niobium oxide granules with a sharp geometry were observed on every sample. Some Nb-O granules appeared to also contain sulfur.

Surface Modeling, Grid Generation, and Related Issues in Computational Fluid Dynamic (CFD) Solutions

Science.gov (United States)

Choo, Yung K. (Compiler)

1995-01-01

The NASA Steering Committee for Surface Modeling and Grid Generation (SMAGG) sponsored a workshop on surface modeling, grid generation, and related issues in Computational Fluid Dynamics (CFD) solutions at Lewis Research Center, Cleveland, Ohio, May 9-11, 1995. The workshop provided a forum to identify industry needs, strengths, and weaknesses of the five grid technologies (patched structured, overset structured, Cartesian, unstructured, and hybrid), and to exchange thoughts about where each technology will be in 2 to 5 years. The workshop also provided opportunities for engineers and scientists to present new methods, approaches, and applications in SMAGG for CFD. This Conference Publication (CP) consists of papers on industry overview, NASA overview, five grid technologies, new methods/ approaches/applications, and software systems.

Cryogenic surface ion traps

International Nuclear Information System (INIS)

Niedermayr, M.

2015-01-01

Microfabricated surface traps are a promising architecture to realize a scalable quantum computer based on trapped ions. In principle, hundreds or thousands of surface traps can be located on a single substrate in order to provide large arrays of interacting ions. To this end, trap designs and fabrication methods are required that provide scalable, stable and reproducible ion traps. This work presents a novel surface-trap design developed for cryogenic applications. Intrinsic silicon is used as the substrate material of the traps. The well-developed microfabrication and structuring methods of silicon are utilized to create simple and reproducible traps. The traps were tested and characterized in a cryogenic setup. Ions could be trapped and their life time and motional heating were investigated. Long ion lifetimes of several hours were observed and the measured heating rates were reproducibly low at around 1 phonon per second at a trap frequency of 1 MHz. (author) [de

BEAM: A computational workflow system for managing and modeling material characterization data in HPC environments

Energy Technology Data Exchange (ETDEWEB)

Lingerfelt, Eric J [ORNL; Endeve, Eirik [ORNL; Ovchinnikov, Oleg S [ORNL; Borreguero Calvo, Jose M [ORNL; Park, Byung H [ORNL; Archibald, Richard K [ORNL; Symons, Christopher T [ORNL; Kalinin, Sergei V [ORNL; Messer, Bronson [ORNL; Shankar, Mallikarjun [ORNL; Jesse, Stephen [ORNL

2016-01-01

Improvements in scientific instrumentation allow imaging at mesoscopic to atomic length scales, many spectroscopic modes, and now with the rise of multimodal acquisition systems and the associated processing capability the era of multidimensional, informationally dense data sets has arrived. Technical issues in these combinatorial scientific fields are exacerbated by computational challenges best summarized as a necessity for drastic improvement in the capability to transfer, store, and analyze large volumes of data. The Bellerophon Environment for Analysis of Materials (BEAM) platform provides material scientists the capability to directly leverage the integrated computational and analytical power of High Performance Computing (HPC) to perform scalable data analysis and simulation via an intuitive, cross-platform client user interface. This framework delivers authenticated, push-button execution of complex user workflows that deploy data analysis algorithms and computational simulations utilizing the converged compute-and-data infrastructure at Oak Ridge National Laboratory s (ORNL) Compute and Data Environment for Science (CADES) and HPC environments like Titan at the Oak Ridge Leadership Computing Facility (OLCF). In this work we address the underlying HPC needs for characterization in the material science community, elaborate how BEAM s design and infrastructure tackle those needs, and present a small sub-set of user cases where scientists utilized BEAM across a broad range of analytical techniques and analysis modes.

Preliminary Study on Hybrid Computational Phantom for Radiation Dosimetry Based on Subdivision Surface

International Nuclear Information System (INIS)

Jeong, Jong Hwi; Choi, Sang Hyoun; Cho, Sung Koo; Kim, Chan Hyeong

2007-01-01

The anthropomorphic computational phantoms are classified into two groups. One group is the stylized phantoms, or MIRD phantoms, which are based on mathematical representations of the anatomical structures. The shapes and positions of the organs and tissues in these phantoms can be adjusted by changing the coefficients of the equations in use. The other group is the voxel phantoms, which are based on tomographic images of a real person such as CT, MR and serially sectioned color slice images from a cadaver. Obviously, the voxel phantoms represent the anatomical structures of a human body much more realistically than the stylized phantoms. A realistic representation of anatomical structure is very important for an accurate calculation of radiation dose in the human body. Consequently, the ICRP recently has decided to use the voxel phantoms for the forthcoming update of the dose conversion coefficients. However, the voxel phantoms also have some limitations: (1) The topology and dimensions of the organs and tissues in a voxel model are extremely difficult to change, and (2) The thin organs, such as oral mucosa and skin, cannot be realistically modeled unless the voxel resolution is prohibitively high. Recently, a new approach has been implemented by several investigators. The investigators converted their voxel phantoms to hybrid computational phantoms based on NURBS (Non-Uniform Rational B-Splines) surface, which is smooth and deformable. It is claimed that these new phantoms have the flexibility of the stylized phantom along with the realistic representations of the anatomical structures. The topology and dimensions of the anatomical structures can be easily changed as necessary. Thin organs can be modeled without affecting computational speed or memory requirement. The hybrid phantoms can be also used for 4-D Monte Carlo simulations. In this preliminary study, the external shape of a voxel phantom (i.e., skin), HDRK-Man, was converted to a hybrid computational

Surface modification and characterization for dispersion stability of inorganic nanometer-scaled particles in liquid media

International Nuclear Information System (INIS)

Kamiya, Hidehiro; Iijima, Motoyuki

2010-01-01

Inorganic nanoparticles are indispensable for science and technology as materials, pigments and cosmetics products. Improving the dispersion stability of nanoparticles in various liquids is essential for those applications. In this review, we discuss why it is difficult to control the stability of nanoparticles in liquids. We also overview the role of surface interaction between nanoparticles in their dispersion and characterization, e.g. by colloid probe atomic force microscopy (CP-AFM). Two types of surface modification concepts, post-synthesis and in situ modification, were investigated in many previous studies. Here, we focus on post-synthesis modification using adsorption of various kinds of polymer dispersants and surfactants on the particle surface, as well as surface chemical reactions of silane coupling agents. We discuss CP-AFM as a technique to analyze the surface interaction between nanoparticles and the effect of surface modification on the nanoparticle dispersion in liquids. (topical review)

Surface modification and characterization for dispersion stability of inorganic nanometer-scaled particles in liquid media

Directory of Open Access Journals (Sweden)

Hidehiro Kamiya and Motoyuki Iijima

2010-01-01

Full Text Available Inorganic nanoparticles are indispensable for science and technology as materials, pigments and cosmetics products. Improving the dispersion stability of nanoparticles in various liquids is essential for those applications. In this review, we discuss why it is difficult to control the stability of nanoparticles in liquids. We also overview the role of surface interaction between nanoparticles in their dispersion and characterization, e.g. by colloid probe atomic force microscopy (CP-AFM. Two types of surface modification concepts, post-synthesis and in situ modification, were investigated in many previous studies. Here, we focus on post-synthesis modification using adsorption of various kinds of polymer dispersants and surfactants on the particle surface, as well as surface chemical reactions of silane coupling agents. We discuss CP-AFM as a technique to analyze the surface interaction between nanoparticles and the effect of surface modification on the nanoparticle dispersion in liquids.

Navier-Stokes Computations of a Wing-Flap Model With Blowing Normal to the Flap Surface

Science.gov (United States)

Boyd, D. Douglas, Jr.

2005-01-01

A computational study of a generic wing with a half span flap shows the mean flow effects of several blown flap configurations. The effort compares and contrasts the thin-layer, Reynolds averaged, Navier-Stokes solutions of a baseline wing-flap configuration with configurations that have blowing normal to the flap surface through small slits near the flap side edge. Vorticity contours reveal a dual vortex structure at the flap side edge for all cases. The dual vortex merges into a single vortex at approximately the mid-flap chord location. Upper surface blowing reduces the strength of the merged vortex and moves the vortex away from the upper edge. Lower surface blowing thickens the lower shear layer and weakens the merged vortex, but not as much as upper surface blowing. Side surface blowing forces the lower surface vortex farther outboard of the flap edge by effectively increasing the aerodynamic span of the flap. It is seen that there is no global aerodynamic penalty or benefit from the particular blowing configurations examined.

Surface chemical and biological characterization of flax fabrics modified with silver nanoparticles for biomedical applications

International Nuclear Information System (INIS)

Paladini, F.; Picca, R.A.; Sportelli, M.C.; Cioffi, N.; Sannino, A.; Pollini, M.

2015-01-01

Silver nanophases are increasingly used as effective antibacterial agent for biomedical applications and wound healing. This work aims to investigate the surface chemical composition and biological properties of silver nanoparticle-modified flax substrates. Silver coatings were deposited on textiles through the in situ photo-reduction of a silver solution, by means of a large-scale apparatus. The silver-coated materials were characterized through X-ray Photoelectron Spectroscopy (XPS), to assess the surface elemental composition of the coatings, and the chemical speciation of both the substrate and the antibacterial nanophases. A detailed investigation of XPS high resolution regions outlined that silver is mainly present on nanophases' surface as Ag 2 O. Scanning electron microscopy and energy dispersive X-ray spectroscopy were also carried out, in order to visualize the distribution of silver particles on the fibers. The materials were also characterized from a biological point of view in terms of antibacterial capability and cytotoxicity. Agar diffusion tests and bacterial enumeration tests were performed on Gram positive and Gram negative bacteria, namely Staphylococcus aureus and Escherichia coli. In vitro cytotoxicity tests were performed through the extract method on murine fibroblasts in order to verify if the presence of the silver coating affected the cellular viability and proliferation. Durability of the coating was also assessed, thus confirming the successful scaling up of the process, which will be therefore available for large-scale production. - Highlights: • Silver nanophases are increasingly used as effective antibacterial agent for biomedical applications. • Silver coatings were deposited on textiles through the in situ photo-reduction of a silver solution. • Flax fabrics were characterized from a biological and surface chemical point of view. • Scaling up of the process was confirmed

Unobstructed electron transfer on porous polyelectrolyte nanostructures and its characterization by electrochemical surface plasmon resonance

Energy Technology Data Exchange (ETDEWEB)

Davis, Bryce W.; Linman, Matthew J.; Linley, Kamara S.; Hare, Christopher D. [Department of Chemistry, University of California, Riverside, CA 92521 (United States); Cheng Quan, E-mail: quan.cheng@ucr.ed [Department of Chemistry, University of California, Riverside, CA 92521 (United States)

2010-06-01

Thin organic films with desirable redox properties have long been sought in biosensor research. We report here the development of a polymer thin film interface with well-defined hierarchical nanostructure and electrochemical behavior, and its characterization by electrochemical surface plasmon resonance (ESPR) spectroscopy. The nano-architecture build-up is monitored in real time with SPR, while the redox response is characterized by cyclic voltammetry in the same flow cell. The multilayer assembly is built on a self-assembled monolayer (SAM) of 1:1 (molar ratio) 11-ferrocenyl-1-undecanethiolate (FUT) and mercaptoundecanoic acid (MUA), and constructed using a layer-by-layer deposition of cationic poly(allylamine hydrochloride) (PAH) and anionic poly(sodium 4-styrenesulfonate) (PSS). Electron transfer (ET) on the mixed surface and the effect of the layer structures on ET are systematically studied. Under careful control, multiple layers can be deposited onto the 1:1 FUT/MUA SAM that presents unobstructed redox chemistry, indicating a highly ordered, extensively porous structure obtained under this condition. The use of SPR to trace the minute change during the electrochemical process offers neat characterization of local environment at the interface, in particular double layer region, allowing for better control over the redox functionality of the multilayers. The 1:1 SAM has a surface coverage of 4.1 +- 0.3 x 10{sup -10} mol cm{sup -2} for ferrocene molecules and demonstrates unperturbed electrochemistry activity even in the presence of a 13 nm polymer film adhered to the electrode surface. This thin layer possesses some desirable properties similar to those on a SAM while presenting approx15 nm exceedingly porous structure for high loading capacity. The high porosity allows perchlorate to freely partition into the film, leading to high current density that is useful for sensitive electrochemical measurements.

Design, fabrication and characterization of Computer Generated Holograms for anti-counterfeiting applications using OAM beams as light decoders.

Science.gov (United States)

Ruffato, Gianluca; Rossi, Roberto; Massari, Michele; Mafakheri, Erfan; Capaldo, Pietro; Romanato, Filippo

2017-12-21

In this paper, we present the design, fabrication and optical characterization of computer-generated holograms (CGH) encoding information for light beams carrying orbital angular momentum (OAM). Through the use of a numerical code, based on an iterative Fourier transform algorithm, a phase-only diffractive optical element (PO-DOE) specifically designed for OAM illumination has been computed, fabricated and tested. In order to shape the incident beam into a helicoidal phase profile and generate light carrying phase singularities, a method based on transmission through high-order spiral phase plates (SPPs) has been used. The phase pattern of the designed holographic DOEs has been fabricated using high-resolution Electron-Beam Lithography (EBL) over glass substrates coated with a positive photoresist layer (polymethylmethacrylate). To the best of our knowledge, the present study is the first attempt, in a comprehensive work, to design, fabricate and characterize computer-generated holograms encoding information for structured light carrying OAM and phase singularities. These optical devices appear promising as high-security optical elements for anti-counterfeiting applications.

Reconstruction of freeform surfaces for metrology

International Nuclear Information System (INIS)

El-Hayek, N; Nouira, H; Anwer, N; Damak, M; Gibaru, O

2014-01-01

The application of freeform surfaces has increased since their complex shapes closely express a product's functional specifications and their machining is obtained with higher accuracy. In particular, optical surfaces exhibit enhanced performance especially when they take aspheric forms or more complex forms with multi-undulations. This study is mainly focused on the reconstruction of complex shapes such as freeform optical surfaces, and on the characterization of their form. The computer graphics community has proposed various algorithms for constructing a mesh based on the cloud of sample points. The mesh is a piecewise linear approximation of the surface and an interpolation of the point set. The mesh can further be processed for fitting parametric surfaces (Polyworks ® or Geomagic ® ). The metrology community investigates direct fitting approaches. If the surface mathematical model is given, fitting is a straight forward task. Nonetheless, if the surface model is unknown, fitting is only possible through the association of polynomial Spline parametric surfaces. In this paper, a comparative study carried out on methods proposed by the computer graphics community will be presented to elucidate the advantages of these approaches. We stress the importance of the pre-processing phase as well as the significance of initial conditions. We further emphasize the importance of the meshing phase by stating that a proper mesh has two major advantages. First, it organizes the initially unstructured point set and it provides an insight of orientation, neighbourhood and curvature, and infers information on both its geometry and topology. Second, it conveys a better segmentation of the space, leading to a correct patching and association of parametric surfaces

Simulating the Effect of Modulated Tool-Path Chip Breaking On Surface Texture and Chip Length

Energy Technology Data Exchange (ETDEWEB)

Smith, K.S.; McFarland, J.T.; Tursky, D. A.; Assaid, T. S.; Barkman, W. E.; Babelay, Jr., E. F.

2010-04-30

One method for creating broken chips in turning processes involves oscillating the cutting tool in the feed direction utilizing the CNC machine axes. The University of North Carolina at Charlotte and the Y-12 National Security Complex have developed and are refining a method to reliably control surface finish and chip length based on a particular machine's dynamic performance. Using computer simulations it is possible to combine the motion of the machine axes with the geometry of the cutting tool to predict the surface characteristics and map the surface texture for a wide range of oscillation parameters. These data allow the selection of oscillation parameters to simultaneously ensure broken chips and acceptable surface characteristics. This paper describes the machine dynamic testing and characterization activities as well as the computational method used for evaluating and predicting chip length and surface texture.

Surface characterization of hydrophobic core-shell QDs using NMR techniques

Science.gov (United States)

Zhang, Chengqi; Zeng, Birong; Palui, Goutam; Mattoussi, Hedi

2018-02-01

Using a few solution phase NMR spectroscopy techniques, including 1H NMR and 31P NMR, we have characterized the organic shell on CdSe-ZnS core-shell quantum dots and tracked changes in its composition when the QD dispersions are subjected to varying degrees of purification. Combining solution phase NMR with diffusion ordered spectroscopy (DOSY), we were able to distinguish between freely diffusing ligands in the sample from those bound on the surfaces. Additionally, matrix assisted laser desorption ionization (MALDI) and FTIR measurements were used to provide complementary and supporting information on the organic ligand coating for these nanocrystals. We found that the organic shell is dominated by monomeric or oligomeric n-hexylphosphonic acid (HPA), along with small portion of 1-hexadecyl amine (HDA). The presence of TOP/TOPO (tri-n-octylphosphine / tri-noctylphosphine oxide) molecules is much smaller, even though large excess of TOP/TOPO were used during the QD growth. These results indicate that HPA (alkyl phosphonate) exhibits the strongest coordination affinity to ZnS-rich QD surfaces grown using the high temperature injection route.

Calculus on Surfaces with General Closest Point Functions

KAUST Repository

Mä rz, Thomas; Macdonald, Colin B.

2012-01-01

The closest point method for solving partial differential equations (PDEs) posed on surfaces was recently introduced by Ruuth and Merriman [J. Comput. Phys., 227 (2008), pp. 1943- 1961] and successfully applied to a variety of surface PDEs. In this paper we study the theoretical foundations of this method. The main idea is that surface differentials of a surface function can be replaced with Cartesian differentials of its closest point extension, i.e., its composition with a closest point function. We introduce a general class of these closest point functions (a subset of differentiable retractions), show that these are exactly the functions necessary to satisfy the above idea, and give a geometric characterization of this class. Finally, we construct some closest point functions and demonstrate their effectiveness numerically on surface PDEs. © 2012 Society for Industrial and Applied Mathematics.

Thiolated poly(ɛ-caprolactone) macroligand with vacant coordination sites on gold substrate: Synthesis and surface characterization

Science.gov (United States)

Farah, Abdiaziz A.; Zheng, Susan H.; Morin, Sylvie; Bensebaa, Farid; Pietro, William J.

2007-04-01

Surface-confined telechelic poly(ɛ-caprolactone) macroligand with two distinct functional groups per polymeric chain has been synthesized and characterized. The molecular microstructure of the macroligand with regard to the properties of the end-capped functionalities and with those on surface substrate has been studied by solution and surface analytical methods (i.e., X-ray photoelectron spectroscopy (XPS), grazing angle reflectance-Fourier transform IR spectroscopy (GA-FTIR), water contact angle measurements, and atomic force microscopy (AFM)) to elucidate the structure and properties of such multifunctional polymer on gold (1 1 1) substrate.

Waste Volume Reduction Using Surface Characterization and Decontamination By Laser Ablation

International Nuclear Information System (INIS)

Pellin, Michael J.; Savina, Michael R.; Reed, Claude B.; Zhiyue, Xu; Yong, Wang

2000-01-01

The U.S. Department of Energy's nuclear complex, a nation-wide system of facilities for research and production of nuclear materials and weapons, contains large amounts of radioactively contaminated concrete[1]. This material must be disposed of prior to the decommissioning of the various sites. Often the radioactive contaminants in concrete occupy only the surface and near-surface (∼3-6 mm deep) regions of the material. Since many of the structures such as walls and floors are 30 cm or more thick, it makes environmental and economic sense to try to remove and store only the thin contaminated layer rather than to treat the entire structure as waste. Current mechanical removal methods, known as scabbling, are slow and labor intensive, suffer from dust control problems, and expose workers to radiation fields. Improved removal methods are thus in demand[2-5]. Prior to decontamination, the surface must be characterized to determine the types and amounts of contaminants present i n order to decide on an appropriate cleaning strategy. Contamination occurs via exposure to air and water-borne radionuclides and by neutron activation. The radionuclides of greatest concern are (in order of abundance) [1]: 137Cs and 134Cs, 238U, 60Co, and 90Sr, followed by 3H, radioactive iodine, and a variety of Eu isotopes and transuranics. A system capable of on- line analysis is valuable since operators can determine the type of contaminants in real time and make more efficient use of costly sampling and characterization techniques. Likewise, the removed waste itself must be analyzed to insure that proper storage and monitoring techniques are used. The chemical speciation of radionuclides in concrete is largely unknown. Concrete is a complex material comprising many distinct chemical and physical phases on a variety of size scales[6-8]. Most studies of radionuclides in cements and concrete are for the most part restricted to phenomenological treatments of diffusion of ion s, particularly

A Collaborative Approach for Surface Inspection Using Aerial Robots and Computer Vision

Directory of Open Access Journals (Sweden)

Martin Molina

2018-03-01

Full Text Available Aerial robots with cameras on board can be used in surface inspection to observe areas that are difficult to reach by other means. In this type of problem, it is desirable for aerial robots to have a high degree of autonomy. A way to provide more autonomy would be to use computer vision techniques to automatically detect anomalies on the surface. However, the performance of automated visual recognition methods is limited in uncontrolled environments, so that in practice it is not possible to perform a fully automatic inspection. This paper presents a solution for visual inspection that increases the degree of autonomy of aerial robots following a semi-automatic approach. The solution is based on human-robot collaboration in which the operator delegates tasks to the drone for exploration and visual recognition and the drone requests assistance in the presence of uncertainty. We validate this proposal with the development of an experimental robotic system using the software framework Aerostack. The paper describes technical challenges that we had to solve to develop such a system and the impact on this solution on the degree of autonomy to detect anomalies on the surface.

Computational study of platinum nanoparticle deposition on the surfaces of crevices

Energy Technology Data Exchange (ETDEWEB)

Gu, H.F., E-mail: guhaifeng@hrbeu.edu.cn [Laboratory for Thermal-Hydraulics, Nuclear Energy and Safety Research Department, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); College of Nuclear Science and Technology, Harbin Engineering University, 150001 Harbin (China); Niceno, B. [Laboratory for Thermal-Hydraulics, Nuclear Energy and Safety Research Department, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Grundler, P.V. [Laboratory for Nuclear Materials, Nuclear Energy and Safety Research Department, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Sharabi, M. [Laboratory for Thermal-Hydraulics, Nuclear Energy and Safety Research Department, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Mechanical Power Engineering Department, Mansoura University, 35516 Mansoura (Egypt); Veleva, L. [Laboratory for Nuclear Materials, Nuclear Energy and Safety Research Department, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Hot Laboratory Division, Nuclear Energy and Safety Research Department, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Ritter, S. [Laboratory for Nuclear Materials, Nuclear Energy and Safety Research Department, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland)

2016-08-01

Highlights: • Nano-particle deposition on the surface of crevices is studied using RANS simulation. • Model results are validated by comparing with experimental data. • Behaviours and mechanisms of particle deposition in different crevices are analyzed. • RANS models with Lagrangian particle tracking method are evaluated and discussed. - Abstract: A well-known issue in boiling water reactors (BWR), which can threaten their structural integrity, is stress corrosion cracking (SCC) of reactor internals and recirculation pipes due to the accumulation of oxidizing radiolysis products of water. Currently, many operators of BWRs use combined platinum particle and hydrogen injection into the reactor water to mitigate SCC by lowering the electrochemical corrosion potential. It is essential for efficient mitigation that Pt particles reach all water-wetted surfaces, including crevices and cracks, which are also reached by the oxidizing species. In this study, a set of crevices with different widths and orientations with respect to the fluid flow are investigated using numerical simulation tools and compared against experimental findings. The Reynolds-Averaged Navier–Stokes models are used to compute the mean turbulent flow quantities in three-dimensional crevices, and the discrete random walk model is used to evaluate the effect of velocity fluctuations on particle movement. The Lagrangian particle tracking analysis is performed and the average concentration of deposited particles on the surface of crevices is evaluated and compared with experimental results. The results show that Reynolds stress model combined with enhanced wall treatment provides a more accurate prediction of particle concentration and distribution on the surface of crevices than SST k–ω turbulence model, which was expected, owing to the anisotropic nature of the Reynolds stress model. Furthermore, analyses on the particle deposition shows that three different mechanisms play important roles in

The Chameleon Effect: characterization challenges due to the variability of nanoparticles and their surfaces

Energy Technology Data Exchange (ETDEWEB)

Baer, Donald R.

2018-05-07

Nanoparticles in a variety of forms are of increasing importance in fundamental research, technological and medical applications, and environmental or toxicology studies. Physical and chemical drivers that lead to multiple types of particle instabilities complicate both the ability to produce and consistently deliver well defined particles and their appropriate characterization, frequently leading to inconsistencies and conflicts in the published literature. This perspective suggests that provenance information, beyond that often recorded or reported, and application of a set of core characterization methods, including a surface sensitive technique, consistently applied at critical times can serve as tools in the effort minimize reproducibility issues.

The Chameleon Effect: Characterization Challenges Due to the Variability of Nanoparticles and Their Surfaces

Directory of Open Access Journals (Sweden)

Donald R. Baer

2018-05-01

Full Text Available Nanoparticles in a variety of forms are increasing important in fundamental research, technological and medical applications, and environmental or toxicology studies. Physical and chemical drivers that lead to multiple types of particle instabilities complicate both the ability to produce, appropriately characterize, and consistently deliver well-defined particles, frequently leading to inconsistencies, and conflicts in the published literature. This perspective suggests that provenance information, beyond that often recorded or reported, and application of a set of core characterization methods, including a surface sensitive technique, consistently applied at critical times can serve as tools in the effort minimize reproducibility issues.

Repercussion of noni mouthwash on surface characterization of Nickel-Titanium archwire

Directory of Open Access Journals (Sweden)

Dhivya Dilipkumar

2017-01-01

Full Text Available Objective: Maintaining oral hygiene is very important during orthodontic therapy mouthwashes are prescribed as an adjunct to improve patient's oral hygiene. Commercially available mouthwashes e.g. Chlorhexidine, Listerine, fluoride containing mouthwashes have shown to alter the surface characteristics of orthodontic wires. Hence the purpose of the study was to evaluate the effect of Noni mouthwash on surface quality and compositional changes of Nickel Titanium orthodontic wires. Materials and Methods: In this in vitro study pre-formed 0.014 inch NiTi arch wire was used. The study comprised of two samples, one control and one test sample which were 25mm in length. Control sample was stored at room temperature without any manipulation while test sample was immersed in Noni mouthwash solution for 1.5 hours, after which the test specimen was removed from the mouthwash solution and rinsed with distilled water. Both control and test samples were sent for scanning electron microscopy analysis, to qualitatively characterize the topography of the wire surface. Electron dispersion spectrum analysis was done to evaluate the various components of both the wires. Results: No significant difference in the average surface roughness for both wire samples was observed. There was no significant difference seen in the composition of wire after immersion in Noni mouthwash. Conclusion: Noni mouthwash did not have significant influence on the surface roughness or altered the composition of the Ni-Ti wire. Hence Noni mouthwash may be prescribed as a natural, non-destructive prophylactic agent for orthodontic patients.

Surface characterization, hemo- and cytocompatibility of segmented poly(dimethylsiloxane-based polyurethanes

Directory of Open Access Journals (Sweden)

Pergal Marija V.

2014-01-01

Full Text Available Segmented polyurethanes based on poly(dimethylsiloxane, currently used for biomedical applications, have sub-optimal biocompatibility which reduces their efficacy. Improving the endothelial cell attachment and blood-contacting properties of PDMS-based copolymers would substantially improve their clinical applications. We have studied the surface properties and in vitro biocompatibility of two series of segmented poly(urethane-dimethylsiloxanes (SPU-PDMS based on hydroxypropyl- and hydroxyethoxypropyl- terminated PDMS with potential applications in blood-contacting medical devices. SPU-PDMS copolymers were characterized by contact angle measurements, surface free energy determination (calculated using the van Oss-Chaudhury-Good and Owens-Wendt methods, and atomic force microscopy. The biocompatibility of copolymers was evaluated using an endothelial EA.hy926 cell line by direct contact assay, before and after pre-treatment of copolymers with multicomponent protein mixture, as well as by a competitive blood-protein adsorption assay. The obtained results suggested good blood compatibility of synthesized copolymers. All copolymers exhibited good resistance to fibrinogen adsorption and all favored albumin adsorption. Copolymers based on hydroxyethoxypropyl-PDMS had lower hydrophobicity, higher surface free energy, and better microphase separation in comparison with hydroxypropyl-PDMS-based copolymers, which promoted better endothelial cell attachment and growth on the surface of these polymers as compared to hydroxypropyl-PDMS-based copolymers. The results showed that SPU-PDMS copolymers display good surface properties, depending on the type of soft PDMS segments, which can be tailored for biomedical application requirements such as biomedical devices for short- and long-term uses. [Projekat Ministarstva nauke Republike Srbije, br. 172062

Characterization and extraction of the synaptic apposition surface for synaptic geometry analysis

Science.gov (United States)

Morales, Juan; Rodríguez, Angel; Rodríguez, José-Rodrigo; DeFelipe, Javier; Merchán-Pérez, Angel

2013-01-01

Geometrical features of chemical synapses are relevant to their function. Two critical components of the synaptic junction are the active zone (AZ) and the postsynaptic density (PSD), as they are related to the probability of synaptic release and the number of postsynaptic receptors, respectively. Morphological studies of these structures are greatly facilitated by the use of recent electron microscopy techniques, such as combined focused ion beam milling and scanning electron microscopy (FIB/SEM), and software tools that permit reconstruction of large numbers of synapses in three dimensions. Since the AZ and the PSD are in close apposition and have a similar surface area, they can be represented by a single surface—the synaptic apposition surface (SAS). We have developed an efficient computational technique to automatically extract this surface from synaptic junctions that have previously been three-dimensionally reconstructed from actual tissue samples imaged by automated FIB/SEM. Given its relationship with the release probability and the number of postsynaptic receptors, the surface area of the SAS is a functionally relevant measure of the size of a synapse that can complement other geometrical features like the volume of the reconstructed synaptic junction, the equivalent ellipsoid size and the Feret's diameter. PMID:23847474

Surface analysis of Dicrocoelium dendriticum. The molecular characterization of exosomes reveals the presence of miRNAs.

Science.gov (United States)

Bernal, Dolores; Trelis, Maria; Montaner, Sergio; Cantalapiedra, Fernando; Galiano, Alicia; Hackenberg, Michael; Marcilla, Antonio

2014-06-13

With the aim of characterizing the molecules involved in the interaction of Dicrocoelium dendriticum adults and the host, we have performed proteomic analyses of the external surface of the parasite using the currently available datasets including the transcriptome of the related species Echinostoma caproni. We have identified 182 parasite proteins on the outermost surface of D. dendriticum. The presence of exosome-like vesicles in the ESP of D. dendriticum and their components has also been characterized. Using proteomic approaches, we have characterized 84 proteins in these vesicles. Interestingly, we have detected miRNA in D. dendriticum exosomes, thus representing the first report of miRNA in helminth exosomes. In order to identify potential targets for intervention against parasitic helminths, we have analyzed the surface of the parasitic helminth Dicrocoelium dendriticum. Along with the proteomic analyses of the outermost layer of the parasite, our work describes the molecular characterization of the exosomes of D. dendriticum. Our proteomic data confirm the improvement of protein identification from "non-model organisms" like helminths, when using different search engines against a combination of available databases. In addition, this work represents the first report of miRNAs in parasitic helminth exosomes. These vesicles can pack specific proteins and RNAs providing stability and resistance to RNAse digestion in body fluids, and provide a way to regulate host-parasite interplay. The present data should provide a solid foundation for the development of novel methods to control this non-model organism and related parasites. This article is part of a Special Issue entitled: Proteomics of non-model organisms. Copyright © 2014 Elsevier B.V. All rights reserved.

Characterization of a complex near-surface structure using well logging and passive seismic measurements

Science.gov (United States)

Benjumea, Beatriz; Macau, Albert; Gabàs, Anna; Figueras, Sara

2016-04-01

We combine geophysical well logging and passive seismic measurements to characterize the near-surface geology of an area located in Hontomin, Burgos (Spain). This area has some near-surface challenges for a geophysical study. The irregular topography is characterized by limestone outcrops and unconsolidated sediments areas. Additionally, the near-surface geology includes an upper layer of pure limestones overlying marly limestones and marls (Upper Cretaceous). These materials lie on top of Low Cretaceous siliciclastic sediments (sandstones, clays, gravels). In any case, a layer with reduced velocity is expected. The geophysical data sets used in this study include sonic and gamma-ray logs at two boreholes and passive seismic measurements: three arrays and 224 seismic stations for applying the horizontal-to-vertical amplitude spectra ratio method (H/V). Well-logging data define two significant changes in the P-wave-velocity log within the Upper Cretaceous layer and one more at the Upper to Lower Cretaceous contact. This technique has also been used for refining the geological interpretation. The passive seismic measurements provide a map of sediment thickness with a maximum of around 40 m and shear-wave velocity profiles from the array technique. A comparison between seismic velocity coming from well logging and array measurements defines the resolution limits of the passive seismic techniques and helps it to be interpreted. This study shows how these low-cost techniques can provide useful information about near-surface complexity that could be used for designing a geophysical field survey or for seismic processing steps such as statics or imaging.

3D, chemical and electrochemical characterization of blasted TI6Al4V surfaces: Its influence on the corrosion behaviour

International Nuclear Information System (INIS)

Barranco, V.; Escudero, M.L.; Garcia-Alonso, M.C.

2007-01-01

The blasting process to increase the roughness of the surface of metallic biomaterials is widely used. As a consequence, one can produce a renewed surface with different topography and chemical composition compared to the original one, which can alter the general corrosion behaviour of the samples. With this idea, the aim of this work is not only the topographical and compositional characterization of blasted surfaces of Ti6Al4V alloy but mainly its influence on the corrosion behaviour of these modified surfaces. The surfaces of Ti6Al4V alloys were blasted with SiO 2 /ZrO 2 and Al 2 O 3 particles of different size in order to obtain different roughnesses. To carry out the microstructural and topographical characterization of the blasted surfaces, the scanning electron microscopy (SEM) coupled with an energy dispersive X-ray (EDX), the contact profilometry method and the 3D characterization by means of stereo-Fe-SEM have been used. By means of stereo-Fe-SEM, the roughness and the real surface area of the rough surfaces have been calculated. The microstructural, topographical and compositional results have been correlated with the corrosion behaviour of the samples immersed in Hank's solution and studied by means of electrochemical impedance spectroscopy (EIS). The blasting process alters topographical and chemically the surface of the samples. These modifications induce to an increase in the capacitance values of the roughened samples due to the prevalence of the effect of electrochemically active areas of Ti6Al4V surface over the effect of the presence of Al 2 O 3 and ZrO 2 particles on the blasted surfaces. However, the general corrosion behaviour of the samples is not drastically changed

Characterization for DRX and FTIR of the surface of UWMWPE for critical applications

International Nuclear Information System (INIS)

Medeiros, Keila M. de; Araujo, E.M.; Lira, H.L.; Patricio, Aline C.L.; Lima, Carlos A.P. de

2009-01-01

Biomaterials is the result of the application of the science of the materials to the medicine, understands a new and important spectrum of the knowledge - Science of Biomaterials. The principal aspects that determine the acting of a bio material in the human body are three: biocompatibility, mechanical properties and degradation. This work had the objective to modify and to oxidate the surface of ultra-high molecular weight polyethylene (UHMWPE). It was utilized for this modification water sandpapers and for oxidation the hydrogen peroxide (H 2 O 2 ). The surface of UHMWPE it was modified with water sandpapers of numbers 180, 600 and 1200 mesh and oxidated with the H 2 O 2 in different concentrations of 35 and 60%. The samples already with its modified surfaces had been submitted to the characterization using itself the following techniques: diffraction de ray-X and Fourier transform infra-red spectroscopy. The physical modification (sanded) and chemistry (H 2 O 2 ) of the surface of UHMWPE was important because it looks for improving the interaction techniques of the implants with the bone. (author)

Transient space-time surface waves characterization using Gabor analysis

Energy Technology Data Exchange (ETDEWEB)

Martinez, L; Wilkie-Chancellier, N; Caplain, E [Universite de Cergy Pontoise, ENS Cachan, UMR CNRS 8029, Laboratoire Systemes et Applications des Techniques de l' Information et de l' Energie (SATIE), 5 mail Gay-Lussac, F 9500 Cergy-Pontoise (France); Glorieux, C; Sarens, B, E-mail: nicolas.wilkie-chancellier@u-cergy.f [Katholieke Universiteit Leuven, Laboratorium voor Akoestiek en Thermische Fysica (LATF), Celestijnenlaan 200D, B-3001 Leuven (Belgium)

2009-11-01

Laser ultrasonics allow the observation of transient surface waves along their propagation media and their interaction with encountered objects like cracks, holes, borders. In order to characterize and localize these transient aspects in the Space-Time-Wave number-Frequency domains, the 1D, 2D and 3D Gabor transforms are presented. The Gabor transform enables the identification of several properties of the local wavefronts such as their shape, wavelength, frequency, attenuation, group velocity and the full conversion sequence along propagation. The ability of local properties identification by Gabor transform is illustrated by two experimental studies: Lamb waves generated by an annular source on a circular quartz and Lamb wave interaction with a fluid droplet. In both cases, results obtained with Gabor transform enable ones to identify the observed local waves.

Thermal Diffusion Processes in Metal-Tip-Surface Interactions: Contact Formation and Adatom Mobility

DEFF Research Database (Denmark)

Sørensen, Mads Reinholdt; Jacobsen, Karsten Wedel; Jonsson, Hannes

1996-01-01

and the surface can occur by a sequence of atomic hop and exchange processes which become active on a millisecond time scale when the tip is about 3-5 Angstrom from the surface. Adatoms on the surface are stabilized by the presence of the tip and energy barriers for diffusion processes in the region under the tip......We have carried out computer simulations to identify and characterize various thermally activated atomic scale processes that can play an important role in room temperature experiments where a metal tip is brought close to a metal surface. We find that contact formation between the tip...

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

Science.gov (United States)

DeGregorio, Nicole; Iyengar, Srinivasan S

2018-01-09

We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen

Characterization and analysis of sub-micron surface roughness of injection moulded microfluidic systems using White Light Interferometry

DEFF Research Database (Denmark)

Tosello, Guido; Marinello, Francesco; Hansen, Hans Nørgaard

2009-01-01

Surface topography is of great importance in polymer micro fluidics, therefore the replication capability of the process and the surface quality of the tool has to be suitably optimized. In this paper, optical profilometry (white light interferometry, WLI) is implemented for topographical...... characterization of polymer surfaces. In particular the study considers replication performance of injection moulding applied for the realization of microfluidic systems for blood analysis. Parts were produced by means of a series of statistically designed injection moulding experiments. Three process parameters...

SURFACE GEOPHYSICAL EXPLORATION OF TX-TY TANK FARMS AT THE HANFORD SITE: RESULTS OF BACKGROUND CHARACTERIZATION WITH GROUND PENETRATING RADAR

International Nuclear Information System (INIS)

MYERS DA; CUBBAGE R; BRAUCHLA R; O'BRIEN G

2008-01-01

Ground penetrating radar surveys of the TX and TY tank farms were performed to identify existing infrastructure in the near surface environment. These surveys were designed to provide background information supporting Surface-to-Surface and Well-to-Well resistivity surveys of Waste Management Area TX-TY. The objective of the preliminary investigation was to collect background characterization information with GPR to understand the spatial distribution of metallic objects that could potentially interfere with the results from high resolution resistivity(trademark) surveys. The results of the background characterization confirm the existence of documented infrastructure, as well as highlight locations of possible additional undocumented subsurface metallic objects

Characterization of the thrombogenic potential of surface oxides on stainless steel for implant purposes

International Nuclear Information System (INIS)

Shih, C.-C.; Shih, C.-M.; Su, Y.-Y.; Chang, M.-S.; Lin, S.-J.

2003-01-01

Marketed stents are manufactured from various metals and passivated with different degrees of surface oxidation. The functional surface oxides on the degree of antithrombotic potential were explored through a canine femoral extracorporeal circuit model. Related properties of these oxide films were studied by open-circuit potential, current density detected at open-circuit potential, the electrochemical impedance spectroscopy, transmission electron microscopy, Auger spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy. Experimental evidences showed that blood clot weight after a 30-min follow-up was significantly lower for the stainless steel wire passivated with amorphous oxide (AO) compared to the wire passivated with polycrystalline oxide (PO) or commercial as-received wire coils (AS). Surface characterizations showed that a stable negative current density at open-circuit potential and a significant lower potential were found for the wire surface passivated with AO than for the surface passivated with PO. Time constant of AO is about 25 times larger than that of polycrystalline oxide. Significant difference in oxide grain sizes was found between PO and AO. Surface chemistries revealed by the AES and XPS spectra indicated the presence of a Cr- and oxygen-rich surface oxide for AO, and a Fe-rich and oxygen-lean surface oxide for PO. These remarkable characteristics of AO surface film might have a potential to provide for excellent antithrombotic characteristics for the 316L stainless steel stents

On the theory and computation of surface tension: The elimination of parasitic currents through energy conservation in the second-gradient method

International Nuclear Information System (INIS)

Jamet, Didier; Torres, David; Brackbill, J.U.

2002-01-01

Errors in the computation of fluid flows with surface tension are examined. These errors cause large parasitic flows when the capillary number is large and have often been attributed to truncation error in underresolved interfacial regions. A study using the second-gradient method reveals that when truncation error is eliminated in the computation of energy exchanges between surface and kinetic energies so that energy is strictly conserved, the parasitic currents are reduced to round-off. The results are based on general thermodynamic arguments and can be used to guide improvements in other methods, such as the continuum-surface-force (CSF) method, which is commonly used with the volume-of-fluid (VOF) method

On the theory and computation of surface tension: The elimination of parasitic currents through energy conservation in the second-gradient method

CERN Document Server

Jamet, D; Brackbill, J U

2002-01-01

Errors in the computation of fluid flows with surface tension are examined. These errors cause large parasitic flows when the capillary number is large and have often been attributed to truncation error in underresolved interfacial regions. A study using the second-gradient method reveals that when truncation error is eliminated in the computation of energy exchanges between surface and kinetic energies so that energy is strictly conserved, the parasitic currents are reduced to round-off. The results are based on general thermodynamic arguments and can be used to guide improvements in other methods, such as the continuum-surface-force (CSF) method, which is commonly used with the volume-of-fluid (VOF) method.

Modification and characterization of the AISI 410 martensitic stainless steels surface

International Nuclear Information System (INIS)

Bincoleto, A.V.L.; Nascente, P.A.P.

2010-01-01

Steam turbines are used in the generation of more than half the electric energy produced in the world nowadays. It is important the study which aims to improve the efficiency by means of the optimization of leaks and of the aerodynamic profiles, as well as to maintain the integrity of the components. The martensitic stainless steels are widely employed due to the combination of their good mechanical properties with higher corrosion resistance. However, their lower wear resistance and their poor tribological behavior limit their use, since they decrease the component life time. In order to evaluate the improvement in the performance of the AISI 410 stainless steel, several process of surface modification were employed. Five samples were produced: the first one was not treated, the second one received liquid nitriding, the third, gas nitriding, the forth, thermal aspersion of tungsten carbide, and the fifth, boronizing. The samples were characterized by optical microscopy, surface microhardness, and X-ray diffractometry. (author)

Surface Characterization of Impurities in Superconducting Niobium for Radio Frequency (RF) Cavities used in Particle Accelerators

Science.gov (United States)

Maheshwari, Prateek

Niobium (Nb) is the material of choice for Superconducting Radio Frequency (SRF) Cavities used in particle accelerators owing to its high critical temperature (Tc = 9.2 K) and critical magnetic field (≈ 200mT). However, niobium tends to harbor interstitial impurities such as H, C, O and N, which are detrimental to cavity performance. Since the magnetic field penetration depth (lambda) of niobium is 40nm, it is important to characterize these impurities using surface characterization techniques. Also, it is known that certain heat treatments improve cavity efficiency via interstitial impurity removal from the surface of niobium. Thus, a systematic study on the effect of these heat treatments on the surface impurity levels is needed. In this work, surface analysis of both heat treated and non heat treated (120°C-1400°C) large grain (single crystal) bulk niobium samples was performed using secondary ion mass spectrometry (SIMS) and Transmission Electron Microscopy (TEM). Impurity levels were compared on the surface using SIMS after various types of heat treatments expected to improve cavity performance, and the effect of these heat treatments on the surface impurities were examined. SIMS characterization of ion implanted standards of C, N, O, D showed that quantification of C, N and O impurities in Nb is achievable and indicated that H is very mobile in Nb. It was hence determined that quantification of H in Nb is not possible using SIMS due to its high diffusivity in Nb. However, a comparative study of the high temperature heat treated (600°C-1400°C) and non heat treated (control) samples revealed that hydrogen levels decreased by upto a factor of 100. This is attributed to the dissociation of the niobium surface oxide layer, which acts as a passivating film on the surface, and subsequent desorption of hydrogen. Reformation of this oxide layer on cool down disallows any re-absorption of hydrogen, indicating that the oxide acts as a surface barrier for

Optical characterization of gold chains and steps on the vicinal Si(557) surface: Theory and experiment

Energy Technology Data Exchange (ETDEWEB)

Hogan, Conor [Consiglio Nazionale delle Ricerche, Istituto di Struttura della Materia, via Fosso del Cavaliere 100, 00133 Rome (Italy); Department of Physics and European Theoretical Spectroscopy Facility (ETSF), University of Rome ' ' Tor Vergata' ' , Via della Ricerca Scientifica 1, 00133 Rome (Italy); McAlinden, Niall; McGilp, John F. [School of Physics, Trinity College Dublin, Dublin 2 (Ireland)

2012-06-15

We present a joint experimental-theoretical study of the reflectance anisotropy of clean and gold-covered Si(557), a vicinal surface of Si(111) upon which gold forms quasi-one-dimensional (1D) chains parallel to the steps. By means of first-principles calculations, we analyse the close relationship between the various surface structural motifs and the optical properties. Good agreement is found between experimental and computed spectra of single-step models of both clean and Au-adsorbed surfaces. Spectral fingerprints of monoatomic gold chains and silicon step edges are identified. The role of spin-orbit coupling (SOC) on the surface optical properties is examined, and found to have little effect. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Nanoscale surface characterization of aqueous copper corrosion: Effects of immersion interval and orthophosphate concentration

Energy Technology Data Exchange (ETDEWEB)

Daniels, Stephanie L. [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States); United States Environmental Protection Agency, National Risk Management Research Laboratory (NRMRL), Water Supply and Water Resource Division (WSWRD), Cincinnati, OH 45268 (United States); Sprunger, Phillip T. [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA 70803 (United States); Center for Advanced Microstructures and Devices, Synchrotron Radiation Facility of Louisiana State University, Baton Rouge, LA 70803 (United States); Kizilkaya, Orhan [Center for Advanced Microstructures and Devices, Synchrotron Radiation Facility of Louisiana State University, Baton Rouge, LA 70803 (United States); Lytle, Darren A. [United States Environmental Protection Agency, National Risk Management Research Laboratory (NRMRL), Water Supply and Water Resource Division (WSWRD), Cincinnati, OH 45268 (United States); Garno, Jayne C., E-mail: jgarno@lsu.edu [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States)

2013-11-15

Morphology changes for copper surfaces exposed to different water parameters were investigated at the nanoscale with atomic force microscopy (AFM), as influenced by changes in pH and the levels of orthophosphate ions. Synthetic water samples were designed to mimic physiological chemistries for drinking water, both with and without addition of orthophosphate over a pH range 6.5–9. Copper surfaces treated with orthophosphate as a corrosion inhibitor after 6 and 24 h were evaluated. Tapping mode AFM images revealed dosing of the water with 6 mg/L of orthophosphate was beneficial in retarding the growth of copper by-products. The chemical composition and oxidation state of the surface deposits were characterized with X-ray diffraction (XRD), near edge X-ray absorption fine structure (NEXAFS) spectroscopy and Fourier transform infrared spectroscopy (FTIR).

Hierarchical surface code for network quantum computing with modules of arbitrary size

Science.gov (United States)

Li, Ying; Benjamin, Simon C.

2016-10-01

The network paradigm for quantum computing involves interconnecting many modules to form a scalable machine. Typically it is assumed that the links between modules are prone to noise while operations within modules have a significantly higher fidelity. To optimize fault tolerance in such architectures we introduce a hierarchical generalization of the surface code: a small "patch" of the code exists within each module and constitutes a single effective qubit of the logic-level surface code. Errors primarily occur in a two-dimensional subspace, i.e., patch perimeters extruded over time, and the resulting noise threshold for intermodule links can exceed ˜10 % even in the absence of purification. Increasing the number of qubits within each module decreases the number of qubits necessary for encoding a logical qubit. But this advantage is relatively modest, and broadly speaking, a "fine-grained" network of small modules containing only about eight qubits is competitive in total qubit count versus a "course" network with modules containing many hundreds of qubits.

Reconstruction of sub-surface archaeological remains from magnetic data using neural computing.

Science.gov (United States)

Bescoby, D. J.; Cawley, G. C.; Chroston, P. N.

2003-04-01

The remains of a former Roman colonial settlement, once part of the classical city of Butrint in southern Albania have been the subject of a high resolution magnetic survey using a caesium-vapour magnetometer. The survey revealed the surviving remains of an extensive planned settlement and a number of outlying buildings, today buried beneath over 0.5 m of alluvial deposits. The aim of the current research is to derive a sub-surface model from the magnetic survey measurements, allowing an enhanced archaeological interpretation of the data. Neural computing techniques are used to perform the non-linear mapping between magnetic data and corresponding sub-surface model parameters. The adoption of neural computing paradigms potentially holds several advantages over other modelling techniques, allowing fast solutions for complex data, while having a high tolerance to noise. A multi-layer perceptron network with a feed-forward architecture is trained to estimate the shape and burial depth of wall foundations using a series of representative models as training data. Parameters used to forward model the training data sets are derived from a number of trial trench excavations targeted over features identified by the magnetic survey. The training of the network was optimized by first applying it to synthetic test data of known source parameters. Pre-processing of the network input data, including the use of a rotationally invariant transform, enhanced network performance and the efficiency of the training data. The approach provides good results when applied to real magnetic data, accurately predicting the depths and layout of wall foundations within the former settlement, verified by subsequent excavation. The resulting sub-surface model is derived from the averaged outputs of a ‘committee’ of five networks, trained with individualized training sets. Fuzzy logic inference has also been used to combine individual network outputs through correlation with data from a second

Computational optimization of biodiesel combustion using response surface methodology

Directory of Open Access Journals (Sweden)

Ganji Prabhakara Rao

2017-01-01

Full Text Available The present work focuses on optimization of biodiesel combustion phenomena through parametric approach using response surface methodology. Physical properties of biodiesel play a vital role for accurate simulations of the fuel spray, atomization, combustion, and emission formation processes. Typically methyl based biodiesel consists of five main types of esters: methyl palmitate, methyl oleate, methyl stearate, methyl linoleate, and methyl linolenate in its composition. Based on the amount of methyl esters present the properties of pongamia bio-diesel and its blends were estimated. CONVERGETM computational fluid dynamics software was used to simulate the fuel spray, turbulence and combustion phenomena. The simulation responses such as indicated specific fuel consumption, NOx, and soot were analyzed using design of experiments. Regression equations were developed for each of these responses. The optimum parameters were found out to be compression ratio – 16.75, start of injection – 21.9° before top dead center, and exhaust gas re-circulation – 10.94%. Results have been compared with baseline case.

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

Science.gov (United States)

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

Characterization of poly(Sodium Styrene Sulfonate) Thin Films Grafted from Functionalized Titanium Surfaces

Science.gov (United States)

Zorn, Gilad; Baio, Joe E.; Weidner, Tobias; Migonney, Veronique; Castner, David G.

2011-01-01

Biointegration of titanium implants in the body is controlled by their surface properties. Improving surface properties by coating with a bioactive polymer is a promising approach to improve the biological performance of titanium implants. To optimize the grafting processes, it is important to fully understand the composition and structure of the modified surfaces. The main focus of this study is to provide a detailed, multi-technique characterization of a bioactive poly(sodium styrene sulfonate) (pNaSS) thin film grafted from titanium surfaces via a two-step procedure. Thin titanium films (~50 nm thick with an average surface roughness of 0.9±0.2nm) prepared by evaporation onto silicon wafers were used as smooth model substrates. X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) showed that the titanium film was covered with a TiO2 layer that was at least 10nm thick and contained hydroxyl groups present at the outermost surface. These hydroxyl groups were first modified with a 3-methacryloxypropyltrimethoxysilane (MPS) cross linker. XPS and ToF-SIMS showed that a monolayer of the MPS molecules were successfully attached onto the titanium surfaces. The pNaSS film was grafted from the MPS modified titanium through atom transfer radical polymerization. Again, XPS and ToF-SIMS were used to verify that the pNaSS molecules were successfully grafted onto the modified surfaces. Atomic force microscopy analysis showed that the film was smooth and uniformly covered the surface. Fourier transform infrared spectroscopy indicated an ordered array of grafted NaSS molecules were present on the titanium surfaces. Sum frequency generation vibration spectroscopy and near edge X-ray absorption fine structure spectroscopy illustrated that the NaSS molecules were grafted onto the titanium surface with a substantial degree of orientational order in the styrene rings. PMID:21892821

Surface topography characterization using 3D stereoscopic reconstruction of SEM images

Science.gov (United States)

Vedantha Krishna, Amogh; Flys, Olena; Reddy, Vijeth V.; Rosén, B. G.

2018-06-01

A major drawback of the optical microscope is its limitation to resolve finer details. Many microscopes have been developed to overcome the limitations set by the diffraction of visible light. The scanning electron microscope (SEM) is one such alternative: it uses electrons for imaging, which have much smaller wavelength than photons. As a result high magnification with superior image resolution can be achieved. However, SEM generates 2D images which provide limited data for surface measurements and analysis. Often many research areas require the knowledge of 3D structures as they contribute to a comprehensive understanding of microstructure by allowing effective measurements and qualitative visualization of the samples under study. For this reason, stereo photogrammetry technique is employed to convert SEM images into 3D measurable data. This paper aims to utilize a stereoscopic reconstruction technique as a reliable method for characterization of surface topography. Reconstructed results from SEM images are compared with coherence scanning interferometer (CSI) results obtained by measuring a roughness reference standard sample. This paper presents a method to select the most robust/consistent surface texture parameters that are insensitive to the uncertainties involved in the reconstruction technique itself. Results from the two-stereoscopic reconstruction algorithms are also documented in this paper.

A computational tool to characterize particle tracking measurements in optical tweezers

International Nuclear Information System (INIS)

Taylor, Michael A; Bowen, Warwick P

2013-01-01

Here, we present a computational tool for optical tweezers which calculates the particle tracking signal measured with a quadrant detector and the shot-noise limit to position resolution. The tool is a piece of Matlab code which functions within the freely available Optical Tweezers Toolbox. It allows the measurements performed in most optical tweezer experiments to be theoretically characterized in a fast and easy manner. The code supports particles with arbitrary size, any optical fields and any combination of objective and condenser, and performs a full vector calculation of the relevant fields. Example calculations are presented which show the tracking signals for different particles, and the shot-noise limit to position sensitivity as a function of the effective condenser NA. (paper)

A possible experiment at LEUTL to characterize surface roughness Wakefield effects

International Nuclear Information System (INIS)

Biedron, S.G.; Dattoli, G.; Fawley, W.M.; Freund, H.P.; Huang, Zhirong; Lewellen, J.W.; Milton, S.V.; Nuhn, H.D.

2001-01-01

Wakefield effects due to internal vacuum chamber roughness may increase the electron beam energy spread and so have become an immediate concern for future x-ray free-electron laser (FEL) project developments such as the SLAC Linac Coherent Light Source (LCLS) and the DESY TESLA x-ray FEL. We describe a possible experiment to characterize the effects of surface roughness on an FEL driven by self-amplified spontaneous emission (SASE) operation. Although the specific system described is not completely identical to the above-proposed projects, much useful scaling information could be obtained and applied to shorter wavelength systems

The effect of surface tension on the contraction coefficient of a jet

International Nuclear Information System (INIS)

Gasmi, A; Mekias, H

2003-01-01

Two-dimensional free surface potential flow issued from an opening of a container is considered. The flow is assumed to be inviscid and incompressible. The mathematical problem, which is characterized by the nonlinear boundary condition on the free surface of an unknown equation, is solved via a series truncation. We computed solutions for all Weber numbers. Our problem is an extension of the work done by Ackerberg and Liu (1987 Phys. Fluids 30 289-96), the results confirm and extend their results

The application of computational thermodynamics and a numerical model for the determination of surface tension and Gibbs-Thomson coefficient of aluminum based alloys

International Nuclear Information System (INIS)

Jacome, Paulo A.D.; Landim, Mariana C.; Garcia, Amauri; Furtado, Alexandre F.; Ferreira, Ivaldo L.

2011-01-01

Highlights: → Surface tension and the Gibbs-Thomson coefficient are computed for Al-based alloys. → Butler's scheme and ThermoCalc are used to compute the thermophysical properties. → Predictive cell/dendrite growth models depend on accurate thermophysical properties. → Mechanical properties can be related to the microstructural cell/dendrite spacing. - Abstract: In this paper, a solution for Butler's formulation is presented permitting the surface tension and the Gibbs-Thomson coefficient of Al-based binary alloys to be determined. The importance of Gibbs-Thomson coefficient for binary alloys is related to the reliability of predictions furnished by predictive cellular and dendritic growth models and of numerical computations of solidification thermal variables, which will be strongly dependent on the thermophysical properties assumed for the calculations. A numerical model based on Powell hybrid algorithm and a finite difference Jacobian approximation was coupled to a specific interface of a computational thermodynamics software in order to assess the excess Gibbs energy of the liquid phase, permitting the surface tension and Gibbs-Thomson coefficient for Al-Fe, Al-Ni, Al-Cu and Al-Si hypoeutectic alloys to be calculated. The computed results are presented as a function of the alloy composition.

A 3-D Approach for Teaching and Learning about Surface Water Systems through Computational Thinking, Data Visualization and Physical Models

Science.gov (United States)

Caplan, B.; Morrison, A.; Moore, J. C.; Berkowitz, A. R.

2017-12-01

Understanding water is central to understanding environmental challenges. Scientists use `big data' and computational models to develop knowledge about the structure and function of complex systems, and to make predictions about changes in climate, weather, hydrology, and ecology. Large environmental systems-related data sets and simulation models are difficult for high school teachers and students to access and make sense of. Comp Hydro, a collaboration across four states and multiple school districts, integrates computational thinking and data-related science practices into water systems instruction to enhance development of scientific model-based reasoning, through curriculum, assessment and teacher professional development. Comp Hydro addresses the need for 1) teaching materials for using data and physical models of hydrological phenomena, 2) building teachers' and students' comfort or familiarity with data analysis and modeling, and 3) infusing the computational knowledge and practices necessary to model and visualize hydrologic processes into instruction. Comp Hydro teams in Baltimore, MD and Fort Collins, CO are integrating teaching about surface water systems into high school courses focusing on flooding (MD) and surface water reservoirs (CO). This interactive session will highlight the successes and challenges of our physical and simulation models in helping teachers and students develop proficiency with computational thinking about surface water. We also will share insights from comparing teacher-led vs. project-led development of curriculum and our simulations.

Deposition and characterization of noble metal onto surfaces of 304l stainless steel

International Nuclear Information System (INIS)

Contreras R, A.; Arganis J, C. R.; Aguilar T, J. A.; Medina A, A. L.

2010-10-01

Noble metal chemical addition (NMCA) plus hydrogen water chemistry is an industry-wide accepted approach for potential intergranular stress corrosion cracking mitigation of BWR internals components. NMCA is a method of applying noble metal onto BWR internals surfaces using reactor water as the transport medium that causes the deposition of noble metal from the liquid onto surfaces. In this work different platinum concentration solutions were deposited onto pre-oxidized surfaces of 304l steel at 180 C during 48 hr in an autoclave. In order to simulate the zinc water conditions, deposits of Zn and Pt-Zn were also carried out. The solutions used to obtain the deposits were: sodium hexahydroxyplatinate (IV), zinc nitrate hydrate and zinc oxide. The deposits obtained were characterized by scanning electron microscopy and X-ray diffraction. Finally, the electrochemical corrosion potential of pre-oxidized samples with Pt deposit were obtained and compared with the electrochemical corrosion potential of only pre-oxidized samples. (Author)

Nanoscale fabrication and characterization of chemically modified silicon surfaces using conductive atomic force microscopy in liquids

Science.gov (United States)

Kinser, Christopher Reagan

This dissertation examines the modification and characterization of hydrogen-terminated silicon surfaces in organic liquids. Conductive atomic force microscope (cAFM) lithography is used to fabricate structures with sub-100 nm line width on H:Si(111) in n-alkanes, 1-alkenes, and 1-alkanes. Nanopatterning is accomplished by applying a positive (n-alkanes and 1-alkenes) or a negative (1-alkanes) voltage pulse to the silicon substrate with the cAFM tip connected to ground. The chemical and kinetic behavior of the patterned features is characterized using AFM, lateral force microscopy, time-of-flight secondary ion mass spectroscopy (TOF SIMS), and chemical etching. Features patterned in hexadecane, 1-octadecene, and undecylenic acid methyl ester exhibited chemical and kinetic behavior consistent with AFM field induced oxidation. The oxide features are formed due to capillary condensation of a water meniscus at the AFM tip-sample junction. A space-charge limited growth model is proposed to explain the observed growth kinetics. Surface modifications produced in the presence of neat 1-dodecyne and 1-octadecyne exhibited a reduced lateral force compared to the background H:Si(111) substrate and were resistant to a hydrofluoric acid etch, characteristics which indicate that the patterned features are not due to field induced oxidation and which are consistent with the presence of the methyl-terminated 1-alkyne bound directly to the silicon surface through silicon-carbon bonds. In addition to the cAFM patterned surfaces, full monolayers of undecylenic acid methyl ester (SAM-1) and undec-10-enoic acid 2-bromoethyl ester (SAM-2) were grown on H:Si(111) substrates using ultraviolet light. The structure and chemistry of the monolayers were characterized using AFM, TOF SIMS, X-ray photoelectron spectroscopy (XPS), X-ray reflectivity (XRR), X-ray standing waves (XSW), and X-ray fluorescence (XRF). These combined analyses provide evidence that SAM-1 and SAM-2 form dense monolayers

Colloid and surface chemistry a laboratory guide for exploration of the nano world

CERN Document Server

Bucak, Seyda

2013-01-01

Scientific Research The research processEthics in Science Design of Experiments Fundamentals of Scientific Computing, Nihat Baysal Recording Data: Keeping a Good Notebook Presenting Data: Writing a Laboratory ReportReferencesCharacterization Techniques Surface Tension Measurements, Seyda BucakViscosity/Rheological Measurements, Patrick UnderhillElectrokinetic Techniques, Marek KosmulskiDiffraction (XRD), Deniz RendeScattering, Ulf OlssonMicroscopy, Cem Levent Altan and Nico A.J.M. SommerdijkColloids and Surfaces Experiment 1: SedimentationExperiment 2: Determination of Critical Micelle Concent

Characterization of the rock joint surface. A contribution to DECOVALEX II Task 3 'Constitutive relationships of rock joints'

International Nuclear Information System (INIS)

Vuopio, J.; Poellae, J.

1997-12-01

In order to understand the effects of spent fuel on the hydraulical behaviour of the rock mass it is necessary to have knowledge about the relationship between the stresses and hydraulical properties of the fractures. The roughness of a fracture surface governs the dilatation of the fracture and the displacement of the fracture surface under shear stress. The peak shear strength and hydraulic flow properties of fractures depend very much on the surface roughness. This report describes different methods and techniques used in the characterization of rock joint surfaces and their applications in rock mechanics

Near-surface geophysical characterization of Holocene faults conducive to geothermal flow near Pyramid Lake, Nevada

Energy Technology Data Exchange (ETDEWEB)

Dudley, Colton; Dorsey, Alison; Louie, John [UNR; Schwering, Paul; Pullammanappallil, Satish

2016-08-01

Colton Dudley, Alison Dorsey, Paul Opdyke, Dustin Naphan, Marlon Ramos, John Louie, Paul Schwering, and Satish Pullammanappallil, 2013, Near-surface geophysical characterization of Holocene faults conducive to geothermal flow near Pyramid Lake, Nevada: presented at Amer. Assoc. Petroleum Geologists, Pacific Section Annual Meeting, Monterey, Calif., April 19-25.

Characterization of rhenium compounds obtained by electrochemical synthesis after aging process

Energy Technology Data Exchange (ETDEWEB)

Vargas-Uscategui, Alejandro, E-mail: avargasuscat@ing.uchile.cl [Departamento de Ingeniería de Minas, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile); Mosquera, Edgar [Laboratorio de Materiales a Nanoescala, Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile); López-Encarnación, Juan M. [Department of Mathematics-Physics and Department of Chemistry, University of Puerto Rico at Cayey, 205 Ave. Antonio R. Barceló, Cayey, PR 00736, USA. (Puerto Rico); Chornik, Boris [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada Av. 2008, Santiago (Chile); Katiyar, Ram S. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico San Juan, San Juan, PR 00931-3343 (United States); Cifuentes, Luis [Departamento de Ingeniería de Minas, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile)

2014-12-15

The proper identification of the molecular nature of the aged rhenium compound obtained by means of electrodeposition from an alkaline aqueous electrolyte was determined. Chemical, structural and vibrational experimental characterization of the aged Re compound showed agreement with quantum-computations, thereby allowing the unambiguous identification of the Re compound as H(ReO{sub 4})H{sub 2}O. - Graphical abstract: Rhenium oxides were electrodeposited on a copper surface and after environmental aging was formed the H(ReO{sub 4})H{sub 2}O compound. The characterization of the synthesized material was made through the comparison of experimental evidence with quantum mechanical computations carried out by means of density functional theory (DFT). - Highlights: • Aged rhenium compound obtained by means of electrodeposition was studied. • The study was made by combining experimental and DFT-computational information. • The aged electrodeposited material is consistent with the H(ReO{sub 4})H{sub 2}O compound.

Preparation and characterization of ethylenediamine and cysteamine plasma polymerized films on piezoelectric quartz crystal surfaces for a biosensor

International Nuclear Information System (INIS)

Mutlu, Selma; Coekeliler, Dilek; Shard, Alex; Goktas, Hilal; Ozansoy, Berna; Mutlu, Mehmet

2008-01-01

This paper describes a method for the modification of quartz crystal surfaces to be used as a transducer in biosensors that allow recognition and quantification of certain biomolecules (antibodies, enzymes, proteins, etc). Quartz crystal sensors were modified by a plasma based electron beam generator in order to detect the level of the toxin histamine within biological liquids (blood, serum) and food (wine, cheese, fish etc.). Cysteamine and ethylenediamine were used as precursors in the plasma. After each modification step, the layers on the quartz crystal were characterized by frequency measurements. Modified surfaces were also characterized by contact angle, X-ray photoelectron spectroscopy and atomic force microscopy to determine the physical and chemical characteristics of the surfaces after each modification. Finally, the performance of the sensors were tested by the response to histamine via frequency shifts. The frequency shifts of the sensors prepared by plasma polymerization of ethylenediamine and cysteamine were approximately 3230 Hz and 5630 Hz, respectively, whereas the frequency change of the unmodified crystal surface was around 575 Hz

Characterization of as-grown and adsorbate-covered N-polar InN surfaces using in situ photoelectron spectroscopy

International Nuclear Information System (INIS)

Eisenhardt, Anja; Himmerlich, Marcel; Krischok, Stefan

2012-01-01

The surface electronic properties and adsorption behaviour of as-grown and oxidized N-polar InN films are characterized by photoelectron spectroscopy (XPS, UPS). The epitaxial growth of the InN layers was performed by plasma-assisted molecular beam epitaxy on GaN/6H-SiC(000-1). After growth and in situ characterization the InN surfaces were exposed to molecular oxygen to evaluate the adsorption behaviour of O 2 on N-polar InN and to study its impact on the surface electronic properties of the III-nitride material. The results are compared with studies on In-polar InN on GaN/sapphire templates. The as-grown N-polar InN surface exhibits a pronounced surface state at a binding energy of ∝1.6 eV. The valence band minimum lies about 0.8-1.0 eV below the surface Fermi level. Additionally, the XPS core level binding energies for InN(000-1) are reduced compared to InN(0001) films, indicating different surface band bending for clean N-polar and In-polar InN, respectively. The interaction of molecular oxygen with the InN(000-1) surface leads to a downward band bending by 0.1 eV compared to the initial state. Additional adsorption of species from the residual gas of the UHV chamber increases the surface downward band bending. Furthermore two pronounced oxygen related states with an energy distance of ∝5 eV could be detected in the valence band region. The adsorbed oxygen results in an additional component in the N1s core level spectra, which is interpreted as formation of NO x bonds. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Characterization of thermomechanical damage on tungsten surfaces during long-duration plasma transients

Energy Technology Data Exchange (ETDEWEB)

Rivera, David, E-mail: david.rivera.ucla@gmail.com; Crosby, Tamer; Sheng, Andrew; Ghoniem, Nasr M.

2014-12-15

A new experimental facility constructed at UCLA for the simulation of high heat flux effects on plasma-facing materials is described. The High Energy Flux Test Facility (HEFTY) is equipped with a Praxair model SG-100 plasma gun, which is nominally rated at 80 kW of continuous operation, of which approximately 30 kW reaches the target due to thermal losses. The gun is used to impart high intermittent heat flux to metal samples mounted within a cylindrical chamber. The system is capable of delivering an instantaneous heat flux in the range of 30–300 MW/m{sup 2}, depending on sample proximity to the gun. The duration of the plasma heat flux is in the range of 1–1000 s, making it ideal for studies of mild plasma transients of relatively long duration. Tungsten and tungsten-copper alloy metal samples are tested in these transient heat flux conditions, and the surface is characterized for damage evaluation using optical, SEM, XRD, and micro-fabrication techniques. Results from a Finite Element (FE) thermo-elastoplasticity model indicate that during the heat-up phase of a plasma transient pulse, the majority of the sample surface is under compressive stresses leading to plastic deformation of the surface. Upon sample cooling, the recovered elastic strain of cooler parts of the sample exceeds that from parts that deformed plastically, resulting in a tensile surface self-stress (residual surface stress). The intensity of the residual tensile surface stress is experimentally correlated with the onset of complex surface fracture morphology on the tungsten surface, and extending below the surface region. Micro-compression mechanical tests of W micro-pillars show that the material has significant plasticity, failing by a “barreling” mode before plasma exposure, and by normal dislocation slip and localized shear after plasma exposure. Ongoing modeling of the complex thermo-fracture process, coupled with elasto-plasticity is based on a phase field approach for distributed

Surface topography and morphology characterization of PIII irradiated silicon surface

International Nuclear Information System (INIS)

Sharma, Satinder K.; Barthwal, Sumit

2008-01-01

The effect of plasma immersion ion implantation (PIII) treatment on silicon surfaces was investigated by micro-Raman and atomic force microscopy (AFM) technique. The surface damage was given by the implantation of carbon, nitrogen, oxygen and argon ions using an inductively coupled plasma (ICP) source at low pressure. AFM studies show that surface topography of the PIII treated silicon wafers depend on the physical and chemical nature of the implanted species. Micro-Raman spectra indicate that the significant reduction of intensity of Raman peak after PIII treatment. Plasma immersion ion implantation is a non-line-of-sight ion implantation method, which allows 3D treatment of materials. Therefore, PIII based surface modification and plasma immersion ion deposition (PIID) coatings are applied in a wide range of situations.

Characterization of the Deep Water Surface Wave Variability in the California Current Region

Science.gov (United States)

Villas Bôas, Ana B.; Gille, Sarah T.; Mazloff, Matthew R.; Cornuelle, Bruce D.

2017-11-01

Surface waves are crucial for the dynamics of the upper ocean not only because they mediate exchanges of momentum, heat, energy, and gases between the ocean and the atmosphere, but also because they determine the sea state. The surface wave field in a given region is set by the combination of local and remote forcing. The present work characterizes the seasonal variability of the deep water surface wave field in the California Current region, as retrieved from over two decades of satellite altimetry data combined with wave buoys and wave model hindcast (WaveWatch III). In particular, the extent to which the local wind modulates the variability of the significant wave height, peak period, and peak direction is assessed. During spring/summer, regional-scale wind events of up to 10 m/s are the dominant forcing for waves off the California coast, leading to relatively short-period waves (8-10 s) that come predominantly from the north-northwest. The wave climatology throughout the California Current region shows average significant wave heights exceeding 2 m during most of the year, which may have implications for the planning and retrieval methods of the Surface Water and Ocean Topography (SWOT) satellite mission.

Perturbative computation of string one-loop corrections to Wilson loop minimal surfaces in AdS{sub 5}×S{sup 5}

Energy Technology Data Exchange (ETDEWEB)

Forini, V. [Institut für Physik, Humboldt-Universität zu Berlin, IRIS Adlershof,Zum Großen Windkanal 6, 12489 Berlin (Germany); Tseytlin, A.A. [Theoretical Physics Group, Blackett Laboratory, Imperial College,London, SW7 2AZ (United Kingdom); Vescovi, E. [Institut für Physik, Humboldt-Universität zu Berlin, IRIS Adlershof,Zum Großen Windkanal 6, 12489 Berlin (Germany); Institute of Physics, University of São Paulo,Rua do Matão 1371, 05508-090 São Paulo (Brazil)

2017-03-01

We revisit the computation of the 1-loop string correction to the “latitude' minimal surface in AdS{sub 5}×S{sup 5} representing 1/4 BPS Wilson loop in planar N=4 SYM theory previously addressed in https://arxiv.org/abs/1512.00841 and https://arxiv.org/abs/1601.04708. We resolve the problem of matching with the subleading term in the strong coupling expansion of the exact gauge theory result (derived previously from localization) using a different method to compute determinants of 2d string fluctuation operators. We apply perturbation theory in a small parameter (angle of the latitude) corresponding to an expansion near the AdS{sub 2} minimal surface representing 1/2 BPS circular Wilson loop. This allows us to compute the corrections to the heat kernels and zeta-functions of the operators in terms of the known heat kernels on AdS{sub 2}. We apply the same method also to two other examples of Wilson loop surfaces: generalized cusp and k-wound circle.

Charge transfer complex between 2,3-diaminopyridine with chloranilic acid. Synthesis, characterization and DFT, TD-DFT computational studies

Science.gov (United States)

Al-Ahmary, Khairia M.; Habeeb, Moustafa M.; Al-Obidan, Areej H.

2018-05-01

New charge transfer complex (CTC) between the electron donor 2,3-diaminopyridine (DAP) with the electron acceptor chloranilic (CLA) acid has been synthesized and characterized experimentally and theoretically using a variety of physicochemical techniques. The experimental work included the use of elemental analysis, UV-vis, IR and 1H NMR studies to characterize the complex. Electronic spectra have been carried out in different hydrogen bonded solvents, methanol (MeOH), acetonitrile (AN) and 1:1 mixture from AN-MeOH. The molecular composition of the complex was identified to be 1:1 from Jobs and molar ratio methods. The stability constant was determined using minimum-maximum absorbances method where it recorded high values confirming the high stability of the formed complex. The solid complex was prepared and characterized by elemental analysis that confirmed its formation in 1:1 stoichiometric ratio. Both IR and NMR studies asserted the existence of proton and charge transfers in the formed complex. For supporting the experimental results, DFT computations were carried out using B3LYP/6-31G(d,p) method to compute the optimized structures of the reactants and complex, their geometrical parameters, reactivity parameters, molecular electrostatic potential map and frontier molecular orbitals. The analysis of DFT results strongly confirmed the high stability of the formed complex based on existing charge transfer beside proton transfer hydrogen bonding concordant with experimental results. The origin of electronic spectra was analyzed using TD-DFT method where the observed λmax are strongly consisted with the computed ones. TD-DFT showed the contributed states for various electronic transitions.

Isolation, screening, and characterization of surface-active agent-producing, oil-degrading marine bacteria of Mumbai Harbor.

Science.gov (United States)

Mohanram, Rajamani; Jagtap, Chandrakant; Kumar, Pradeep

2016-04-15

Diverse marine bacterial species predominantly found in oil-polluted seawater produce diverse surface-active agents. Surface-active agents produced by bacteria are classified into two groups based on their molecular weights, namely biosurfactants and bioemulsifiers. In this study, surface-active agent-producing, oil-degrading marine bacteria were isolated using a modified Bushnell-Haas medium with high-speed diesel as a carbon source from three oil-polluted sites of Mumbai Harbor. Surface-active agent-producing bacterial strains were screened using nine widely used methods. The nineteen bacterial strains showed positive results for more than four surface-active agent screening methods; further, these strains were characterized using biochemical and nucleic acid sequencing methods. Based on the results, the organisms belonged to the genera Acinetobacter, Alcanivorax, Bacillus, Comamonas, Chryseomicrobium, Halomonas, Marinobacter, Nesterenkonia, Pseudomonas, and Serratia. The present study confirmed the prevalence of surface-active agent-producing bacteria in the oil-polluted waters of Mumbai Harbor. Copyright © 2016 Elsevier Ltd. All rights reserved.

Inexpensive laser-induced surface modification in bismuth thin films

Energy Technology Data Exchange (ETDEWEB)

Contreras, A. Reyes [Facultad de Ciencias, Universidad Autónoma del Estado de México, Carretera Toluca, Ixtlahuaca Kilómetro 15.5, C.P. 50200 Edo. de México (Mexico); Hautefeuille, M., E-mail: mathieu_h@ciencias.unam.mx [Facultad de Ciencias, Universidad Nacional Autónoma de México, Avenida Universidad 3000, Circuito Exterior S/N, Coyoacán, Ciudad Universitaria, C.P. 04510 D.F. Mexico (Mexico); García, A. Esparza [Fotofísica y Películas Delgadas, Departamento de Tecnociencias, CCADET-UNAM, Circuito exterior s/n C.P. 04510 Cd. Universitaria, D.F. Mexico (Mexico); Mejia, O. Olea [Centro Conjunto de Investigación en Química Sustentable UAEM-UNAM, Carretera Toluca-Atlacomulco, Km 14.5, Unidad El Rosedal, 50200 San Cayetano, Estado de México (Mexico); López, M.A. Camacho [Facultad de Química, Universidad Autónoma del Estado de México, Tollocan s/n, esq. Paseo Colón, Toluca, Estado de México 50110 (Mexico)

2015-05-01

Highlights: • Laser-induced microbumps were formed on bismuth films using a simple, low-cost, laser setup. • The patterns, similar to those typically obtained with high-power lasers, were characterized. • Control of laser ablation conditions is critical in the fabrication of surface microbumps. - Abstract: In this work, we present results on texturing a 500 nm thick bismuth film, deposited by sputtering onto a glass slide using a low-cost homemade, near-infrared pulsed laser platform. A 785 nm laser diode of a CD–DVD pickup head was precisely focused on the sample mounted on a motorized two-axis translation stage to generate localized surface microbumps on the bismuth films. This simple method successfully transferred desired micropatterns on the films in a computer-numerical control fashion. Irradiated zones were characterized by atomic force microscopy and scanning electron microscopy. It was observed that final results are strongly dependent on irradiation parameters.

Analysis of carotid lumen surface morphology using three-dimensional ultrasound imaging

International Nuclear Information System (INIS)

Chiu, Bernard; Beletsky, Vadim; Spence, J David; Parraga, Grace; Fenster, Aaron

2009-01-01

Carotid plaque surface irregularity and ulcerations play an important role in the risk of ischemic stroke. Ulcerated or fissured plaque, characterized by irregular surface morphology, exposes thrombogenic materials to the bloodstream, possibly leading to life- or brain-threatening thrombosis and embolization. Therefore, the quantification of plaque surface irregularity is important to identify high-risk plaques that would likely lead to vascular events. Although a number of studies have characterized plaque surface irregularity using subjective classification schemes with two or more categories, only a few have quantified surface irregularity using an objective and continuous quantity, such as Gaussian or mean curvature. In this work, our goal was to use both Gaussian and mean curvatures for identifying ulcers from 3D carotid ultrasound (US) images of human subjects. Before performing experiments using patient data, we verified the numerical accuracy of the surface curvature computation method using discrete spheres and tori with different sampling intervals. We also showed that three ulcers of the vascular phantom with 2 mm, 3 mm and 4 mm diameters were associated with high Gaussian and mean curvatures, and thus, were easily detected. Finally, we demonstrated the application of the proposed method for detecting ulcers on luminal surfaces, which were segmented from the 3D US images acquired for two human subjects.

Analysis of carotid lumen surface morphology using three-dimensional ultrasound imaging

Science.gov (United States)

Chiu, Bernard; Beletsky, Vadim; Spence, J. David; Parraga, Grace; Fenster, Aaron

2009-03-01

Carotid plaque surface irregularity and ulcerations play an important role in the risk of ischemic stroke. Ulcerated or fissured plaque, characterized by irregular surface morphology, exposes thrombogenic materials to the bloodstream, possibly leading to life- or brain-threatening thrombosis and embolization. Therefore, the quantification of plaque surface irregularity is important to identify high-risk plaques that would likely lead to vascular events. Although a number of studies have characterized plaque surface irregularity using subjective classification schemes with two or more categories, only a few have quantified surface irregularity using an objective and continuous quantity, such as Gaussian or mean curvature. In this work, our goal was to use both Gaussian and mean curvatures for identifying ulcers from 3D carotid ultrasound (US) images of human subjects. Before performing experiments using patient data, we verified the numerical accuracy of the surface curvature computation method using discrete spheres and tori with different sampling intervals. We also showed that three ulcers of the vascular phantom with 2 mm, 3 mm and 4 mm diameters were associated with high Gaussian and mean curvatures, and thus, were easily detected. Finally, we demonstrated the application of the proposed method for detecting ulcers on luminal surfaces, which were segmented from the 3D US images acquired for two human subjects.

NEWTON - NEW portable multi-sensor scienTific instrument for non-invasive ON-site characterization of rock from planetary surface and sub-surfaces

Science.gov (United States)

Díaz-Michelena, M.; de Frutos, J.; Ordóñez, A. A.; Rivero, M. A.; Mesa, J. L.; González, L.; Lavín, C.; Aroca, C.; Sanz, M.; Maicas, M.; Prieto, J. L.; Cobos, P.; Pérez, M.; Kilian, R.; Baeza, O.; Langlais, B.; Thébault, E.; Grösser, J.; Pappusch, M.

2017-09-01

In space instrumentation, there is currently no instrument dedicated to susceptibly or complete magnetization measurements of rocks. Magnetic field instrument suites are generally vector (or scalar) magnetometers, which locally measure the magnetic field. When mounted on board rovers, the electromagnetic perturbations associated with motors and other elements make it difficult to reap the benefits from the inclusion of such instruments. However, magnetic characterization is essential to understand key aspects of the present and past history of planetary objects. The work presented here overcomes the limitations currently existing in space instrumentation by developing a new portable and compact multi-sensor instrument for ground breaking high-resolution magnetic characterization of planetary surfaces and sub-surfaces. This new technology introduces for the first time magnetic susceptometry (real and imaginary parts) as a complement to existing compact vector magnetometers for planetary exploration. This work aims to solve the limitations currently existing in space instrumentation by means of providing a new portable and compact multi-sensor instrument for use in space, science and planetary exploration to solve some of the open questions on the crustal and more generally planetary evolution within the Solar System.

The application of computational thermodynamics and a numerical model for the determination of surface tension and Gibbs-Thomson coefficient of aluminum based alloys

Energy Technology Data Exchange (ETDEWEB)

Jacome, Paulo A.D.; Landim, Mariana C. [Department of Mechanical Engineering, Fluminense Federal University, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil); Garcia, Amauri, E-mail: amaurig@fem.unicamp.br [Department of Materials Engineering, University of Campinas, UNICAMP, PO Box 6122, 13083-970 Campinas, SP (Brazil); Furtado, Alexandre F.; Ferreira, Ivaldo L. [Department of Mechanical Engineering, Fluminense Federal University, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil)

2011-08-20

Highlights: {yields} Surface tension and the Gibbs-Thomson coefficient are computed for Al-based alloys. {yields} Butler's scheme and ThermoCalc are used to compute the thermophysical properties. {yields} Predictive cell/dendrite growth models depend on accurate thermophysical properties. {yields} Mechanical properties can be related to the microstructural cell/dendrite spacing. - Abstract: In this paper, a solution for Butler's formulation is presented permitting the surface tension and the Gibbs-Thomson coefficient of Al-based binary alloys to be determined. The importance of Gibbs-Thomson coefficient for binary alloys is related to the reliability of predictions furnished by predictive cellular and dendritic growth models and of numerical computations of solidification thermal variables, which will be strongly dependent on the thermophysical properties assumed for the calculations. A numerical model based on Powell hybrid algorithm and a finite difference Jacobian approximation was coupled to a specific interface of a computational thermodynamics software in order to assess the excess Gibbs energy of the liquid phase, permitting the surface tension and Gibbs-Thomson coefficient for Al-Fe, Al-Ni, Al-Cu and Al-Si hypoeutectic alloys to be calculated. The computed results are presented as a function of the alloy composition.

Computing Visible-Surface Representations,

Science.gov (United States)

1985-03-01

Terzopoulos N00014-75-C-0643 9. PERFORMING ORGANIZATION NAME AMC ADDRESS 10. PROGRAM ELEMENT. PROJECT, TASK Artificial Inteligence Laboratory AREA A...Massachusetts Institute of lechnolog,. Support lbr the laboratory’s Artificial Intelligence research is provided in part by the Advanced Rtccarcl Proj...dynamically maintaining visible surface representations. Whether the intention is to model human vision or to design competent artificial vision systems

Characterization of surface modifications by white light interferometry: applications in ion sputtering, laser ablation, and tribology experiments.

Science.gov (United States)

Baryshev, Sergey V; Erck, Robert A; Moore, Jerry F; Zinovev, Alexander V; Tripa, C Emil; Veryovkin, Igor V

2013-02-27

In materials science and engineering it is often necessary to obtain quantitative measurements of surface topography with micrometer lateral resolution. From the measured surface, 3D topographic maps can be subsequently analyzed using a variety of software packages to extract the information that is needed. In this article we describe how white light interferometry, and optical profilometry (OP) in general, combined with generic surface analysis software, can be used for materials science and engineering tasks. In this article, a number of applications of white light interferometry for investigation of surface modifications in mass spectrometry, and wear phenomena in tribology and lubrication are demonstrated. We characterize the products of the interaction of semiconductors and metals with energetic ions (sputtering), and laser irradiation (ablation), as well as ex situ measurements of wear of tribological test specimens. Specifically, we will discuss: i. Aspects of traditional ion sputtering-based mass spectrometry such as sputtering rates/yields measurements on Si and Cu and subsequent time-to-depth conversion. ii. Results of quantitative characterization of the interaction of femtosecond laser irradiation with a semiconductor surface. These results are important for applications such as ablation mass spectrometry, where the quantities of evaporated material can be studied and controlled via pulse duration and energy per pulse. Thus, by determining the crater geometry one can define depth and lateral resolution versus experimental setup conditions. iii. Measurements of surface roughness parameters in two dimensions, and quantitative measurements of the surface wear that occur as a result of friction and wear tests. Some inherent drawbacks, possible artifacts, and uncertainty assessments of the white light interferometry approach will be discussed and explained.

Computer vision system in real-time for color determination on flat surface food

Directory of Open Access Journals (Sweden)

Erick Saldaña

2013-03-01

Full Text Available Artificial vision systems also known as computer vision are potent quality inspection tools, which can be applied in pattern recognition for fruits and vegetables analysis. The aim of this research was to design, implement and calibrate a new computer vision system (CVS in real-time for the color measurement on flat surface food. For this purpose was designed and implemented a device capable of performing this task (software and hardware, which consisted of two phases: a image acquisition and b image processing and analysis. Both the algorithm and the graphical interface (GUI were developed in Matlab. The CVS calibration was performed using a conventional colorimeter (Model CIEL* a* b*, where were estimated the errors of the color parameters: eL* = 5.001%, and ea* = 2.287%, and eb* = 4.314 % which ensure adequate and efficient automation application in industrial processes in the quality control in the food industry sector.

Computer vision system in real-time for color determination on flat surface food

Directory of Open Access Journals (Sweden)

Erick Saldaña

2013-01-01

Full Text Available Artificial vision systems also known as computer vision are potent quality inspection tools, which can be applied in pattern recognition for fruits and vegetables analysis. The aim of this research was to design, implement and calibrate a new computer vision system (CVS in real - time f or the color measurement on flat surface food. For this purpose was designed and implemented a device capable of performing this task (software and hardware, which consisted of two phases: a image acquisition and b image processing and analysis. Both th e algorithm and the graphical interface (GUI were developed in Matlab. The CVS calibration was performed using a conventional colorimeter (Model CIEL* a* b*, where were estimated the errors of the color parameters: e L* = 5.001%, and e a* = 2.287%, and e b* = 4.314 % which ensure adequate and efficient automation application in industrial processes in the quality control in the food industry sector.

Simulation of Specular Surface Imaging Based on Computer Graphics: Application on a Vision Inspection System

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Seulin Ralph

2002-01-01

Full Text Available This work aims at detecting surface defects on reflecting industrial parts. A machine vision system, performing the detection of geometric aspect surface defects, is completely described. The revealing of defects is realized by a particular lighting device. It has been carefully designed to ensure the imaging of defects. The lighting system simplifies a lot the image processing for defect segmentation and so a real-time inspection of reflective products is possible. To bring help in the conception of imaging conditions, a complete simulation is proposed. The simulation, based on computer graphics, enables the rendering of realistic images. Simulation provides here a very efficient way to perform tests compared to the numerous attempts of manual experiments.

Modeling of edge effect in subaperture tool influence functions of computer controlled optical surfacing.

Science.gov (United States)

Wan, Songlin; Zhang, Xiangchao; He, Xiaoying; Xu, Min

2016-12-20

Computer controlled optical surfacing requires an accurate tool influence function (TIF) for reliable path planning and deterministic fabrication. Near the edge of the workpieces, the TIF has a nonlinear removal behavior, which will cause a severe edge-roll phenomenon. In the present paper, a new edge pressure model is developed based on the finite element analysis results. The model is represented as the product of a basic pressure function and a correcting function. The basic pressure distribution is calculated according to the surface shape of the polishing pad, and the correcting function is used to compensate the errors caused by the edge effect. Practical experimental results demonstrate that the new model can accurately predict the edge TIFs with different overhang ratios. The relative error of the new edge model can be reduced to 15%.

Characterization of the porous structures of the green body and sintered biomedical titanium scaffolds with micro-computed tomography

Energy Technology Data Exchange (ETDEWEB)

Arifvianto, B., E-mail: b.arifvianto@tudelft.nl; Leeflang, M.A.; Zhou, J.

2016-11-15

The present research was aimed at gaining an understanding of the porous structure changes from the green body through water leaching and sintering to titanium scaffolds. Micro-computed tomography (micro-CT) was performed to generate 3D models of titanium scaffold preforms containing carbamide space-holding particles and sintered scaffolds containing macro- and micro-pores. The porosity values and structural parameters were determined by means of image analysis. The result showed that the porosity values, macro-pore sizes, connectivity densities and specific surface areas of the titanium scaffolds sintered at 1200 °C for 3 h did not significantly deviate from those of the green structures with various volume fractions of the space holder. Titanium scaffolds with a maximum specific surface area could be produced with an addition of 60–65 vol% carbamide particles to the matrix powder. The connectivity of pores inside the scaffold increased with rising volume fraction of the space holder. The shrinkage of the scaffolds prepared with > 50 vol% carbamide space holder, occurring during sintering, was caused by the reductions of macro-pore sizes and micro-pore sizes as well as the thickness of struts. In conclusion, the final porous structural characteristics of titanium scaffolds could be estimated from those of the green body. - Highlights: •Porous structures of green body and sintered titanium scaffolds was studied. •Porous structures of both samples were quantitatively characterized with micro-CT. •Porous structures of scaffolds could be controlled from the green body. •Shrinkage mechanisms of titanium scaffolds during sintering was established.

Quantitative characterization of the influence of the nanoscale morphology of nanostructured surfaces on bacterial adhesion and biofilm formation.

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Ajay Vikram Singh

Full Text Available Bacterial infection of implants and prosthetic devices is one of the most common causes of implant failure. The nanostructured surface of biocompatible materials strongly influences the adhesion and proliferation of mammalian cells on solid substrates. The observation of this phenomenon has led to an increased effort to develop new strategies to prevent bacterial adhesion and biofilm formation, primarily through nanoengineering the topology of the materials used in implantable devices. While several studies have demonstrated the influence of nanoscale surface morphology on prokaryotic cell attachment, none have provided a quantitative understanding of this phenomenon. Using supersonic cluster beam deposition, we produced nanostructured titania thin films with controlled and reproducible nanoscale morphology respectively. We characterized the surface morphology; composition and wettability by means of atomic force microscopy, X-ray photoemission spectroscopy and contact angle measurements. We studied how protein adsorption is influenced by the physico-chemical surface parameters. Lastly, we characterized Escherichia coli and Staphylococcus aureus adhesion on nanostructured titania surfaces. Our results show that the increase in surface pore aspect ratio and volume, related to the increase of surface roughness, improves protein adsorption, which in turn downplays bacterial adhesion and biofilm formation. As roughness increases up to about 20 nm, bacterial adhesion and biofilm formation are enhanced; the further increase of roughness causes a significant decrease of bacterial adhesion and inhibits biofilm formation. We interpret the observed trend in bacterial adhesion as the combined effect of passivation and flattening effects induced by morphology-dependent protein adsorption. Our findings demonstrate that bacterial adhesion and biofilm formation on nanostructured titanium oxide surfaces are significantly influenced by nanoscale morphological

Computer simulation of the relationship between selected properties of laser remelted tool steel surface layer

Energy Technology Data Exchange (ETDEWEB)

Bonek, Mirosław, E-mail: miroslaw.bonek@polsl.pl; Śliwa, Agata; Mikuła, Jarosław

2016-12-01

Highlights: • Prediction of the properties of laser remelted surface layer with the use of FEM analysis. • The simulation was applied to determine the shape of molten pool of remelted surface. • Applying of numerical model MES for simulation of surface laser treatment to meaningfully shorten time of selection of optimum parameters. • An FEM model was established for the purpose of building a computer simulation. - Abstract: Investigations >The language in this paper has been slightly changed. Please check for clarity of thought, and that the meaning is still correct, and amend if necessary.include Finite Element Method simulation model of remelting of PMHSS6-5-3 high-speed steel surface layer using the high power diode laser (HPDL). The Finite Element Method computations were performed using ANSYS software. The scope of FEM simulation was determination of temperature distribution during laser alloying process at various process configurations regarding the laser beam power and method of powder deposition, as pre-coated past or surface with machined grooves. The Finite Element Method simulation was performed on five different 3-dimensional models. The model assumed nonlinear change of thermal conductivity, specific heat and density that were depended on temperature. The heating process was realized as heat flux corresponding to laser beam power of 1.4, 1.7 and 2.1 kW. Latent heat effects are considered during solidification. The molten pool is composed of the same material as the substrate and there is no chemical reaction. The absorptivity of laser energy was dependent on the simulated materials properties and their surface condition. The Finite Element Method simulation allows specifying the heat affected zone and the temperature distribution in the sample as a function of time and thus allows the estimation of the structural changes taking place during laser remelting process. The simulation was applied to determine the shape of molten pool and the

Increasing the reliability of the Olkiluoto surface and near-surface hydrological model

International Nuclear Information System (INIS)

Karvonen, T.

2009-05-01

The aim of the study was to improve the reliability of the Olkiluoto surface hydrological model that calculates the overall water balance components of Olkiluoto Island. ONKALO and Korvensuo reservoir were added as explicit structures to the model. The model links the unsaturated and saturated soil water in the overburden and groundwater in bedrock to a continuous pressure system. With the model it is possible to evaluate the influence of water leaking to ONKALO on groundwater level in overburden soils and pressure head in shallow bedrock drillholes. Anisotropy was added to the surface hydrological model and several model runs were carried out using anisotropy factors 1, 5 and 10. Anisotropy factor of 10 is used in the 2008 version of the deep hydrogeological model and the same anisotropy will be used in future calculations of the surface hydrological model to ensure consistency of the parameter values in the two models. The correspondence between measured and computed groundwater levels has been improved due to new soil type delineation and the calibration of the soil water retention curve parameters. Computed groundwater level variation can be characterized by a measure ΔH COMP , which is difference between maximum and minimum value during the calibration period. Average ΔH COMP in groundwater tubes was 1.98 m and the corresponding measured value ΔH MEAS was 2.08 m, i.e. the difference between measured and computed value was around 0.1 m (0.16 m in the 2007 version). Temporal variation (difference between maximum and minimum pressure head) was simulated well also in most of the shallow bedrock drillholes. ONKALO was added to the 2008 version of the Olkiluoto surface hydrological model. Influence of ONKALO is taken into account by giving the total discharge as input data from existing measurements or from calculations of the deep hydrogeological model of the Olkiluoto Island. The computed results show that ONKALO has a temporal effect on groundwater level in

Evaluation of 3D laser device for characterizing shape and surface properties of aggregates used in pavements

CSIR Research Space (South Africa)

Anochie-Boateng, Joseph

2010-08-01

Full Text Available program for the 3D laser device using fifteen different spherical and twelve cubic shaped objects. The laser device was evaluated for accuracy and repeatability to compute aggregate surface area and volume properties. The results showed that the laser...

Surface and microstructural characterization of commercial breeder reactor candidate alloys exposed to 7000C sodium

International Nuclear Information System (INIS)

Anantatmula, R.P.; Brehm, W.F.

1979-03-01

Sodium compatibility screening tests were performed on several commercial austenitic alloys at 700 0 C for 2000 hours for applications as breeder reactor fuel cladding. The sodium-exposed surfaces were characterized by Optical Metallography, Scanning Electron Microscopy (SEM) and Electron Probe Micro Analysis (EPMA). Sodium exposure generally resulted in the depletion of Ni, Cr, Ti, Si, Mn and Nb, and enrichment of Fe and Mo at the surface. The average thickness of the depleted zone was 5 μm. The alloys can be divided into three groups based on corrosion rate, and each group has its own characteristic surface structure. Grain-orientation dependent striations were seen in alloys with low corrosion rates, while alloys with intermediate corrosion rates displayed micron-size nodes enriched with Fe and Mo. The high corrosion rate alloys exhibited scale-like formations on the surface with irregularly shaped holes. In addition, the data importantly point out that a ferrite layer will form at the sodium-exposed surface of these austenitic alloys after prolonged exposure

Summary of ground water and surface water flow and contaminant transport computer codes used at the Idaho National Engineering Laboratory (INEL)

International Nuclear Information System (INIS)

Bandy, P.J.; Hall, L.F.

1993-03-01

This report presents information on computer codes for numerical and analytical models that have been used at the Idaho National Engineering Laboratory (INEL) to model ground water and surface water flow and contaminant transport. Organizations conducting modeling at the INEL include: EG ampersand G Idaho, Inc., US Geological Survey, and Westinghouse Idaho Nuclear Company. Information concerning computer codes included in this report are: agency responsible for the modeling effort, name of the computer code, proprietor of the code (copyright holder or original author), validation and verification studies, applications of the model at INEL, the prime user of the model, computer code description, computing environment requirements, and documentation and references for the computer code

Surface loading of a viscoelastic earth-I. General theory

Science.gov (United States)

Tromp, Jeroen; Mitrovica, Jerry X.

1999-06-01

We present a new normal-mode formalism for computing the response of an aspherical, self-gravitating, linear viscoelastic earth model to an arbitrary surface load. The formalism makes use of recent advances in the theory of the Earth's free oscillations, and is based upon an eigenfunction expansion methodology, rather than the tradi-tional Love-number approach to surface-loading problems. We introduce a surface-load representation theorem analogous to Betti's reciprocity relation in seismology. Taking advantage of this theorem and the biorthogonality of the viscoelastic modes, we determine the complete response to a surface load in the form of a Green's function. We also demonstrate that each viscoelastic mode has its own unique energy partitioning, which can be used to characterize it. In subsequent papers, we apply the theory to spherically symmetric and aspherical earth models.

Abstracts of International Conference on Experimental and Computing Methods in High Resolution Diffraction Applied for Structure Characterization of Modern Materials - HREDAMM

International Nuclear Information System (INIS)

2004-01-01

The conference addressed all aspects of high resolution diffraction. The topics of meeting include advanced experimental diffraction methods and computer data analysis for characterization of modern materials as well as the progress and new achievements in high resolution diffraction (X-ray, electrons, neutrons). Application of these methods for characterization of modern materials are widely presented among the invited, oral and poster contributions

Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization.

Science.gov (United States)

Beuming, Thijs; Che, Ye; Abel, Robert; Kim, Byungchan; Shanmugasundaram, Veerabahu; Sherman, Woody

2012-03-01

Water plays an essential role in determining the structure and function of all biological systems. Recent methodological advances allow for an accurate and efficient estimation of the thermodynamic properties of water molecules at the surface of proteins. In this work, we characterize these thermodynamic properties and relate them to various structural and functional characteristics of the protein. We find that high-energy hydration sites often exist near protein motifs typically characterized as hydrophilic, such as backbone amide groups. We also find that waters around alpha helices and beta sheets tend to be less stable than waters around loops. Furthermore, we find no significant correlation between the hydration site-free energy and the solvent accessible surface area of the site. In addition, we find that the distribution of high-energy hydration sites on the protein surface can be used to identify the location of binding sites and that binding sites of druggable targets tend to have a greater density of thermodynamically unstable hydration sites. Using this information, we characterize the FKBP12 protein and show good agreement between fragment screening hit rates from NMR spectroscopy and hydration site energetics. Finally, we show that water molecules observed in crystal structures are less stable on average than bulk water as a consequence of the high degree of spatial localization, thereby resulting in a significant loss in entropy. These findings should help to better understand the characteristics of waters at the surface of proteins and are expected to lead to insights that can guide structure-based drug design efforts. Copyright © 2011 Wiley Periodicals, Inc.

Production and characterization of surface-active compounds from Gordonia amicalis

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Ani Beatriz Jackisch-Matsuura

2014-02-01

Full Text Available Two methods were used to make crude preparations of surface-active compounds (SACs produced by Gordonia amicalis grown on the medium containing 1% diesel oil. Using a 2:1 (v/v solution of chloroform:methanol for extraction, Type I SACs were isolated and shown to produce oil in water (O/W emulsions. Type II SACs were isolated by precipitation with ammonium sulfate and produced predominantly water in oil emulsions (W/O. The crude Type I and II preparations were able to produce a significant reduction in the surface tension of water; however, the crude Type II preparation had 10-25 fold higher emulsification activity than the Type I preparation. Both SAC preparations were analyzed by the TLC and each produced two distinct bands with Rf 0.44 and 0.62 and Rf 0.52 and 0.62, respectively. The partially purified SACs were characterized by the ESI(+-MS, FT-IR and NMR. In each one of these fractions, a mixture of 10 oligomers was found consisting of a series of compounds, with masses from 502 to 899, differing in molecular mass by a repeating unit of 44 Daltons. The mass spectra of these compounds did not appear to match other known biosurfactants and could represent a novel class of these compounds.

Characterizing developing adverse pressure gradient flows subject to surface roughness