Ti and Zr surfaces studied by molecular dynamics

International Nuclear Information System (INIS)

Pascuet, Maria I.; Passianot, Roberto C.; Monti, Ana M.

2003-01-01

The interaction between point defects technique and the (0001), (1-210), (10-10) surfaces in Ti and Zr is studied by the molecular dynamics technique. Both of metals are in the hexagonal structure and within a temperature range of 100 to 900 K. The atomic interactions are modeled by EAM-type many-body potentials, that were used previously in static simulations. New migration mechanisms are unraveled and others are verified with respect to those already proposed in the static studies. Also included is an analysis of the vacancy stability in the sub-surface layers of the prismatic surfaces. (author)

Dynamics of Wetting of Ultra Hydrophobic Surfaces

Science.gov (United States)

Mohammad Karim, Alireza; Kim, Jeong-Hyun; Rothstein, Jonathan; Kavehpour, Pirouz; Mechanical and Industrial Engineering, University of Massachusetts, Amherst Collaboration

2013-11-01

Controlling the surface wettability of hydrophobic and super hydrophobic surfaces has extensive industrial applications ranging from coating, painting and printing technology and waterproof clothing to efficiency increase in power and water plants. This requires enhancing the knowledge about the dynamics of wetting on these hydrophobic surfaces. We have done experimental investigation on the dynamics of wetting on hydrophobic surfaces by looking deeply in to the dependency of the dynamic contact angles both advancing and receding on the velocity of the three-phase boundary (Solid/Liquid/Gas interface) using the Wilhelmy plate method with different ultra-hydrophobic surfaces. Several fluids with different surface tension and viscosity are used to study the effect of physical properties of liquids on the governing laws.

A Monte Carlo/response surface strategy for sensitivity analysis: application to a dynamic model of vegetative plant growth

Science.gov (United States)

Lim, J. T.; Gold, H. J.; Wilkerson, G. G.; Raper, C. D. Jr; Raper CD, J. r. (Principal Investigator)

1989-01-01

We describe the application of a strategy for conducting a sensitivity analysis for a complex dynamic model. The procedure involves preliminary screening of parameter sensitivities by numerical estimation of linear sensitivity coefficients, followed by generation of a response surface based on Monte Carlo simulation. Application is to a physiological model of the vegetative growth of soybean plants. The analysis provides insights as to the relative importance of certain physiological processes in controlling plant growth. Advantages and disadvantages of the strategy are discussed.

He atom-surface scattering: Surface dynamics of insulators, overlayers and crystal growth

International Nuclear Information System (INIS)

Safron, S.A.; Skofronick, J.G.

1994-01-01

This progress report describes work carried out in the study of surface structure and dynamics of ionic insulators, the microscopic interactions controlling epitaxial growth and the formation of overlayers, and energy exchange in multiphonon surface scattering. The approach used is to employ high resolution helium atom scattering to study the geometry and structural features of the surfaces. Experiments have been carried out on the surface dynamics of RbCl and preliminary studies done on CoO and NiO. Epitaxial growth and overlayer dynamics experiments on the systems NaCl/NaCl(001), KBr/NaCl(001), NaCl/KBr(001) and KBr/RbCl(001) have been performed. They have collaborated with two theoretical groups to explore models of overlayer dynamics with which to compare and to interpret their experimental results. They have carried out extensive experiments on the multiphonon scattering of helium atoms from NaCl and, particularly, LiF. Work has begun on self-assembling organic films on gold and silver surfaces (alkyl thiols/Au(111) and Ag(111))

Dynamic Surface Control and Its Application to Lateral Vehicle Control

Directory of Open Access Journals (Sweden)

Bongsob Song

2014-01-01

Full Text Available This paper extends the design and analysis methodology of dynamic surface control (DSC in Song and Hedrick, 2011, for a more general class of nonlinear systems. When rotational mechanical systems such as lateral vehicle control and robot control are considered for applications, sinusoidal functions are easily included in the equation of motions. If such a sinusoidal function is used as a forcing term for DSC, the stability analysis faces the difficulty due to highly nonlinear functions resulting from the low-pass filter dynamics. With modification of input variables to the filter dynamics, the burden of mathematical analysis can be reduced and stability conditions in linear matrix inequality form to guarantee the quadratic stability via DSC are derived for the given class of nonlinear systems. Finally, the proposed design and analysis approach are applied to lateral vehicle control for forward automated driving and backward parallel parking at a low speed as well as an illustrative example.

Assessing the Nano-Dynamics of the Cell Surface

Energy Technology Data Exchange (ETDEWEB)

Bae, Chil Man [Dept. of Physiology and Biophysics, State University of New York, Buffalo (United States); Park, Ik Keun [Mechanical Engineering, Seoul National University of Technology, Seoul (Korea, Republic of); Bulter, Peter J. [Dept. of Bioengineering, The Pennsylvania State University, University Park (United States)

2012-06-15

It is important to know the mechanism of cell membrane fluctuation because it can be readout for the nanomechanical interaction between cytoskeleton and plasma membrane. Traditional techniques, however, have drawbacks such as probe contact with the cell surface, complicate analysis, and limit spatial and temporal resolution. In this study, we developed a new system for non-contact measurement of nano-scale localized-cell surface dynamics using modified-scanning ion-conductance microscopy. With 2 nm resolution, we determined that endothelial cells have local membrane fluctuations of -20 nm, actin depolymerization causes increase in fluctuation amplitude, and ATP depletion abolishes all membrane fluctuations.

Dynamics of ice nucleation on water repellent surfaces.

Science.gov (United States)

Alizadeh, Azar; Yamada, Masako; Li, Ri; Shang, Wen; Otta, Shourya; Zhong, Sheng; Ge, Liehui; Dhinojwala, Ali; Conway, Ken R; Bahadur, Vaibhav; Vinciquerra, A Joseph; Stephens, Brian; Blohm, Margaret L

2012-02-14

Prevention of ice accretion and adhesion on surfaces is relevant to many applications, leading to improved operation safety, increased energy efficiency, and cost reduction. Development of passive nonicing coatings is highly desirable, since current antiicing strategies are energy and cost intensive. Superhydrophobicity has been proposed as a lead passive nonicing strategy, yet the exact mechanism of delayed icing on these surfaces is not clearly understood. In this work, we present an in-depth analysis of ice formation dynamics upon water droplet impact on surfaces with different wettabilities. We experimentally demonstrate that ice nucleation under low-humidity conditions can be delayed through control of surface chemistry and texture. Combining infrared (IR) thermometry and high-speed photography, we observe that the reduction of water-surface contact area on superhydrophobic surfaces plays a dual role in delaying nucleation: first by reducing heat transfer and second by reducing the probability of heterogeneous nucleation at the water-substrate interface. This work also includes an analysis (based on classical nucleation theory) to estimate various homogeneous and heterogeneous nucleation rates in icing situations. The key finding is that ice nucleation delay on superhydrophobic surfaces is more prominent at moderate degrees of supercooling, while closer to the homogeneous nucleation temperature, bulk and air-water interface nucleation effects become equally important. The study presented here offers a comprehensive perspective on the efficacy of textured surfaces for nonicing applications.

Dynamic contact angle cycling homogenizes heterogeneous surfaces.

Science.gov (United States)

Belibel, R; Barbaud, C; Mora, L

2016-12-01

In order to reduce restenosis, the necessity to develop the appropriate coating material of metallic stent is a challenge for biomedicine and scientific research over the past decade. Therefore, biodegradable copolymers of poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) were prepared in order to develop a new coating exhibiting different custom groups in its side chain and being able to carry a drug. This material will be in direct contact with cells and blood. It consists of carboxylic acid and hexylic groups used for hydrophilic and hydrophobic character, respectively. The study of this material wettability and dynamic surface properties is of importance due to the influence of the chemistry and the potential motility of these chemical groups on cell adhesion and polymer kinetic hydrolysis. Cassie theory was used for the theoretical correction of contact angles of these chemical heterogeneous surfaces coatings. Dynamic Surface Analysis was used as practical homogenizer of chemical heterogeneous surfaces by cycling during many cycles in water. In this work, we confirmed that, unlike receding contact angle, advancing contact angle is influenced by the difference of only 10% of acidic groups (%A) in side-chain of polymers. It linearly decreases with increasing acidity percentage. Hysteresis (H) is also a sensitive parameter which is discussed in this paper. Finally, we conclude that cycling provides real information, thus avoiding theoretical Cassie correction. H(10)is the most sensible parameter to %A. Copyright © 2016 Elsevier B.V. All rights reserved.

Pulsed laser stereophotography of plasmas and dynamically moving surfaces

International Nuclear Information System (INIS)

Paisley, D.L.

1987-01-01

A pulsed laser is used as a light source for illuminating the surface of a dynamic event of 3 mm//μs. At a predetermined time during the dynamic action, a stereo camera is used to record a pair of images of the dynamically moving surface. The stereoimage pair can be quantified for surface contour

Dynamic Corneal Surface Mapping with Electronic Speckle Pattern Interferometry

Science.gov (United States)

Iqbal, S.; Gualini, M. M. S.

2013-06-01

In view of the fast advancement in ophthalmic technology and corneal surgery, there is a strong need for the comprehensive mapping and characterization techniques for corneal surface. Optical methods with precision non-contact approaches have been found to be very useful for such bio measurements. Along with the normal mapping approaches, elasticity of corneal surface has an important role in its characterization and needs to be appropriately measured or estimated for broader diagnostics and better prospective surgical results, as it has important role in the post-op corneal surface reconstruction process. Use of normal corneal topographic devices is insufficient for any intricate analysis since these devices operate at relatively moderate resolution. In the given experiment, Pulsed Electronic Speckle Pattern Interferometry has been utilized along with an excitation mechanism to measure the dynamic response of the sample cornea. A Pulsed ESPI device has been chosen for the study because of its micron-level resolution and other advantages in real-time deformation analysis. A bovine cornea has been used as a sample in the subject experiment. The dynamic response has been taken on a chart recorder and it is observed that it does show a marked deformation at a specific excitation frequency, which may be taken as a characteristic elasticity parameter for the surface of that corneal sample. It was seen that outside resonance conditions the bovine cornea was not that much deformed. Through this study, the resonance frequency and the corresponding corneal deformations are mapped and plotted in real time. In these experiments, data was acquired and processed by FRAMES plus computer analysis system. With some analysis of the results, this technique can help us to refine a more detailed corneal surface mathematical model and some preliminary work was done on this. Such modelling enhancements may be useful for finer ablative surgery planning. After further experimentation

Dynamic air layer on textured superhydrophobic surfaces

KAUST Repository

Vakarelski, Ivan Uriev

2013-09-03

We provide an experimental demonstration that a novel macroscopic, dynamic continuous air layer or plastron can be sustained indefinitely on textured superhydrophobic surfaces in air-supersaturated water by a natural gas influx mechanism. This type of plastron is an intermediate state between Leidenfrost vapor layers on superheated surfaces and the equilibrium Cassie-Baxter wetting state on textured superhydrophobic surfaces. We show that such a plastron can be sustained on the surface of a centimeter-sized superhydrophobic sphere immersed in heated water and variations of its dynamic behavior with air saturation of the water can be regulated by rapid changes of the water temperature. The simple experimental setup allows for quantification of the air flux into the plastron and identification of the air transport model of the plastron growth. Both the observed growth dynamics of such plastrons and millimeter-sized air bubbles seeded on the hydrophilic surface under identical air-supersaturated solution conditions are consistent with the predictions of a well-mixed gas transport model. © 2013 American Chemical Society.

Surface and finite size effect on fluctuations dynamics in nanoparticles with long-range order

Science.gov (United States)

Morozovska, A. N.; Eliseev, E. A.

2010-02-01

The influence of surface and finite size on the dynamics of the order parameter fluctuations and critical phenomena in the three-dimensional (3D)-confined systems with long-range order was not considered theoretically. In this paper, we study the influence of surface and finite size on the dynamics of the order parameter fluctuations in the particles of arbitrary shape. We consider concrete examples of the spherical and cylindrical ferroic nanoparticles within Landau-Ginzburg-Devonshire phenomenological approach. Allowing for the strong surface energy contribution in micro and nanoparticles, the analytical expressions derived for the Ornstein-Zernike correlator of the long-range order parameter spatial-temporal fluctuations, dynamic generalized susceptibility, relaxation times, and correlation radii discrete spectra are different from those known for bulk systems. Obtained analytical expressions for the correlation function of the order parameter spatial-temporal fluctuations in micro and nanosized systems can be useful for the quantitative analysis of the dynamical structural factors determined from magnetic resonance diffraction and scattering spectra. Besides the practical importance of the correlation function for the analysis of the experimental data, derived expressions for the fluctuations strength determine the fundamental limits of phenomenological theories applicability for 3D-confined systems.

Dynamic analysis of the photoenhancement process of colloidal quantum dots with different surface modifications

Energy Technology Data Exchange (ETDEWEB)

Valledor Llopis, Marta; Campo Rodriguez, Juan Carlos; Ferrero Martin, Francisco J [Departamento de Ingenieria Electrica, Electronica, C y S Universidad de Oviedo, Campus de Gijon s/n, 33204 Gijon, Asturias, (Spain); Coto, Ana Maria; Fernandez-Argueelles, Maria T; Costa-Fernandez, J M; Sanz-Medel, A [Departamento de Quimica Fisica y Analitica, Universidad de Oviedo, Campus del Cristo, 33006 Oviedo, Asturias (Spain)

2011-09-23

Photoinduced fluorescence enhancement of colloidal quantum dots (QDs) is a hot topic addressed in many studies due to its great influence on the bioanalytical performance of such nanoparticles. However, understanding of this process is not a simple task, and it cannot be explained by a general mechanism as it greatly depends on the QDs' nature, solubilization strategies, surrounding environment, etc. In this vein, we have critically compared the behavior of CdSe QDs (widely used in bioanalytical applications) with different surface modifications (ligand exchange and polymer coating), in different controlled experimental conditions, in the presence-absence of the ZnS layer and in different media when exposed for long times to intense UV irradiation. Thus six different types of colloidal QDs were finally studied. This research was carried out from a novel perspective, based on the analysis of the dynamic behavior of the photoactivation process (of great interest for further applications of QDs as labels in biomedical applications). The results showed a different behavior of the studied colloidal QDs after UV irradiation in terms of their photoluminescence characteristics, potential toxicity due to metal release to the environment, nanoparticle stability and surface coating degradation.

Dynamic analysis of the photoenhancement process of colloidal quantum dots with different surface modifications

International Nuclear Information System (INIS)

Valledor Llopis, Marta; Campo Rodriguez, Juan Carlos; Ferrero Martin, Francisco J; Coto, Ana Maria; Fernandez-Argueelles, Maria T; Costa-Fernandez, J M; Sanz-Medel, A

2011-01-01

Photoinduced fluorescence enhancement of colloidal quantum dots (QDs) is a hot topic addressed in many studies due to its great influence on the bioanalytical performance of such nanoparticles. However, understanding of this process is not a simple task, and it cannot be explained by a general mechanism as it greatly depends on the QDs' nature, solubilization strategies, surrounding environment, etc. In this vein, we have critically compared the behavior of CdSe QDs (widely used in bioanalytical applications) with different surface modifications (ligand exchange and polymer coating), in different controlled experimental conditions, in the presence-absence of the ZnS layer and in different media when exposed for long times to intense UV irradiation. Thus six different types of colloidal QDs were finally studied. This research was carried out from a novel perspective, based on the analysis of the dynamic behavior of the photoactivation process (of great interest for further applications of QDs as labels in biomedical applications). The results showed a different behavior of the studied colloidal QDs after UV irradiation in terms of their photoluminescence characteristics, potential toxicity due to metal release to the environment, nanoparticle stability and surface coating degradation.

An experiment on the dynamics of ion implantation and sputtering of surfaces

Energy Technology Data Exchange (ETDEWEB)

Wright, G. M.; Barnard, H. A.; Kesler, L. A.; Peterson, E. E.; Stahle, P. W.; Sullivan, R. M.; Whyte, D. G.; Woller, K. B. [Plasma Science and Fusion Center, MIT, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States)

2014-02-15

A major impediment towards a better understanding of the complex plasma-surface interaction is the limited diagnostic access to the material surface while it is undergoing plasma exposure. The Dynamics of ION Implantation and Sputtering Of Surfaces (DIONISOS) experiment overcomes this limitation by uniquely combining powerful, non-perturbing ion beam analysis techniques with a steady-state helicon plasma exposure chamber, allowing for real-time, depth-resolved in situ measurements of material compositions during plasma exposure. Design solutions are described that provide compatibility between the ion beam analysis requirements in the presence of a high-intensity helicon plasma. The three primary ion beam analysis techniques, Rutherford backscattering spectroscopy, elastic recoil detection, and nuclear reaction analysis, are successfully implemented on targets during plasma exposure in DIONISOS. These techniques measure parameters of interest for plasma-material interactions such as erosion/deposition rates of materials and the concentration of plasma fuel species in the material surface.

An experiment on the dynamics of ion implantation and sputtering of surfaces

International Nuclear Information System (INIS)

Wright, G. M.; Barnard, H. A.; Kesler, L. A.; Peterson, E. E.; Stahle, P. W.; Sullivan, R. M.; Whyte, D. G.; Woller, K. B.

2014-01-01

A major impediment towards a better understanding of the complex plasma-surface interaction is the limited diagnostic access to the material surface while it is undergoing plasma exposure. The Dynamics of ION Implantation and Sputtering Of Surfaces (DIONISOS) experiment overcomes this limitation by uniquely combining powerful, non-perturbing ion beam analysis techniques with a steady-state helicon plasma exposure chamber, allowing for real-time, depth-resolved in situ measurements of material compositions during plasma exposure. Design solutions are described that provide compatibility between the ion beam analysis requirements in the presence of a high-intensity helicon plasma. The three primary ion beam analysis techniques, Rutherford backscattering spectroscopy, elastic recoil detection, and nuclear reaction analysis, are successfully implemented on targets during plasma exposure in DIONISOS. These techniques measure parameters of interest for plasma-material interactions such as erosion/deposition rates of materials and the concentration of plasma fuel species in the material surface

Electrostatic cloaking of surface structure for dynamic wetting

Science.gov (United States)

Shiomi, Junichiro; Nita, Satoshi; Do-Quang, Minh; Wang, Jiayu; Chen, Yu-Chung; Suzuki, Yuji; Amberg, Gustav

2017-11-01

Dynamic wetting problems are fundamental to the understanding of the interaction between liquids and solids. Even in a superficially simple experimental situation, such as a droplet spreading over a dry surface, the result may depend not only on the liquid properties but also strongly on the substrate-surface properties; even for macroscopically smooth surfaces, the microscopic geometrical roughness can be important. In addition, as surfaces may often be naturally charged, or electric fields are used to manipulate fluids, electric effects are crucial components that influence wetting phenomena. Here we investigate the interplay between electric forces and surface structures in dynamic wetting. While surface microstructures can significantly hinder the spreading, we find that the electrostatics can ``cloak'' the microstructures, i.e. deactivate the hindering. We identify the physics in terms of reduction in contact-line friction, which makes the dynamic wetting inertial force dominant and insensitive to the substrate properties. This work was financially supported in part by, the Japan Society for the Promotion of Science, Swedish Governmental Agency for Innovation Systems, and the Japan Science and Technology Agency.

Structural dynamics of surfaces by ultrafast electron crystallography: experimental and multiple scattering theory.

Science.gov (United States)

Schäfer, Sascha; Liang, Wenxi; Zewail, Ahmed H

2011-12-07

Recent studies in ultrafast electron crystallography (UEC) using a reflection diffraction geometry have enabled the investigation of a wide range of phenomena on the femtosecond and picosecond time scales. In all these studies, the analysis of the diffraction patterns and their temporal change after excitation was performed within the kinematical scattering theory. In this contribution, we address the question, to what extent dynamical scattering effects have to be included in order to obtain quantitative information about structural dynamics. We discuss different scattering regimes and provide diffraction maps that describe all essential features of scatterings and observables. The effects are quantified by dynamical scattering simulations and examined by direct comparison to the results of ultrafast electron diffraction experiments on an in situ prepared Ni(100) surface, for which structural dynamics can be well described by a two-temperature model. We also report calculations for graphite surfaces. The theoretical framework provided here allows for further UEC studies of surfaces especially at larger penetration depths and for those of heavy-atom materials. © 2011 American Institute of Physics

Modeling Apple Surface Temperature Dynamics Based on Weather Data

Directory of Open Access Journals (Sweden)

Lei Li

2014-10-01

Full Text Available The exposure of fruit surfaces to direct sunlight during the summer months can result in sunburn damage. Losses due to sunburn damage are a major economic problem when marketing fresh apples. The objective of this study was to develop and validate a model for simulating fruit surface temperature (FST dynamics based on energy balance and measured weather data. A series of weather data (air temperature, humidity, solar radiation, and wind speed was recorded for seven hours between 11:00–18:00 for two months at fifteen minute intervals. To validate the model, the FSTs of “Fuji” apples were monitored using an infrared camera in a natural orchard environment. The FST dynamics were measured using a series of thermal images. For the apples that were completely exposed to the sun, the RMSE of the model for estimating FST was less than 2.0 °C. A sensitivity analysis of the emissivity of the apple surface and the conductance of the fruit surface to water vapour showed that accurate estimations of the apple surface emissivity were important for the model. The validation results showed that the model was capable of accurately describing the thermal performances of apples under different solar radiation intensities. Thus, this model could be used to more accurately estimate the FST relative to estimates that only consider the air temperature. In addition, this model provides useful information for sunburn protection management.

Modeling apple surface temperature dynamics based on weather data.

Science.gov (United States)

Li, Lei; Peters, Troy; Zhang, Qin; Zhang, Jingjin; Huang, Danfeng

2014-10-27

The exposure of fruit surfaces to direct sunlight during the summer months can result in sunburn damage. Losses due to sunburn damage are a major economic problem when marketing fresh apples. The objective of this study was to develop and validate a model for simulating fruit surface temperature (FST) dynamics based on energy balance and measured weather data. A series of weather data (air temperature, humidity, solar radiation, and wind speed) was recorded for seven hours between 11:00-18:00 for two months at fifteen minute intervals. To validate the model, the FSTs of "Fuji" apples were monitored using an infrared camera in a natural orchard environment. The FST dynamics were measured using a series of thermal images. For the apples that were completely exposed to the sun, the RMSE of the model for estimating FST was less than 2.0 °C. A sensitivity analysis of the emissivity of the apple surface and the conductance of the fruit surface to water vapour showed that accurate estimations of the apple surface emissivity were important for the model. The validation results showed that the model was capable of accurately describing the thermal performances of apples under different solar radiation intensities. Thus, this model could be used to more accurately estimate the FST relative to estimates that only consider the air temperature. In addition, this model provides useful information for sunburn protection management.

Functional dynamics of cell surface membrane proteins.

Science.gov (United States)

Nishida, Noritaka; Osawa, Masanori; Takeuchi, Koh; Imai, Shunsuke; Stampoulis, Pavlos; Kofuku, Yutaka; Ueda, Takumi; Shimada, Ichio

2014-04-01

Cell surface receptors are integral membrane proteins that receive external stimuli, and transmit signals across plasma membranes. In the conventional view of receptor activation, ligand binding to the extracellular side of the receptor induces conformational changes, which convert the structure of the receptor into an active conformation. However, recent NMR studies of cell surface membrane proteins have revealed that their structures are more dynamic than previously envisioned, and they fluctuate between multiple conformations in an equilibrium on various timescales. In addition, NMR analyses, along with biochemical and cell biological experiments indicated that such dynamical properties are critical for the proper functions of the receptors. In this review, we will describe several NMR studies that revealed direct linkage between the structural dynamics and the functions of the cell surface membrane proteins, such as G-protein coupled receptors (GPCRs), ion channels, membrane transporters, and cell adhesion molecules. Copyright © 2013 Elsevier Inc. All rights reserved.

Interferometer for measuring the dynamic surface topography of a human tear film

Science.gov (United States)

Primeau, Brian C.; Greivenkamp, John E.

2012-03-01

The anterior refracting surface of the eye is the thin tear film that forms on the surface of the cornea. Following a blink, the tear film quickly smoothes and starts to become irregular after 10 seconds. This irregularity can affect comfort and vision quality. An in vivo method of characterizing dynamic tear films has been designed based upon a near-infrared phase-shifting interferometer. This interferometer continuously measures light reflected from the tear film, allowing sub-micron analysis of the dynamic surface topography. Movies showing the tear film behavior can be generated along with quantitative metrics describing changes in the tear film surface. This tear film measurement allows analysis beyond capabilities of typical fluorescein visual inspection or corneal topography and provides better sensitivity and resolution than shearing interferometry methods. The interferometer design is capable of identifying features in the tear film much less than a micron in height with a spatial resolution of about ten microns over a 6 mm diameter. This paper presents the design of the tear film interferometer along with the considerations that must be taken when designing an interferometer for on-eye diagnostics. Discussions include eye movement, design of null optics for a range of ocular geometries, and laser emission limits for on-eye interferometry.

Molecular Dynamics Simulation and Analysis of Interfacial Water at Selected Sulfide Mineral Surfaces under Anaerobic Conditions

Energy Technology Data Exchange (ETDEWEB)

Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.

2014-04-10

In this paper, we report on a molecular dynamics simulation (MDS) study of the behavior of interfacial water at selected sulfide mineral surfaces under anaerobic conditions. The study revealed the interfacial water structure and wetting characteristics of the pyrite (100) surface, galena (100) surface, chalcopyrite (012) surface, sphalerite (110) surface, and molybdenite surfaces (i.e., the face, armchair-edge, and zigzag-edge surfaces), including simulated contact angles, relative number density profiles, water dipole orientations, hydrogen-bonding, and residence times. For force fields of the metal and sulfur atoms in selected sulfide minerals used in the MDS, we used the universal force field (UFF) and another set of force fields optimized by quantum chemical calculations for interactions with interfacial water molecules at selected sulfide mineral surfaces. Simulation results for the structural and dynamic properties of interfacial water molecules indicate the natural hydrophobic character for the selected sulfide mineral surfaces under anaerobic conditions as well as the relatively weak hydrophobicity for the sphalerite (110) surface and two molybdenite edge surfaces. Part of the financial support for this study was provided by the U.S. Department of Energy (DOE) under Basic Science Grant No. DE-FG-03-93ER14315. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE, funded work performed by Liem X. Dang. Battelle operates Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES. The authors are grateful to Professor Tsun-Mei Chang for valuable discussions.

Structure, biomimetics, and fluid dynamics of fish skin surfaces*

Science.gov (United States)

Lauder, George V.; Wainwright, Dylan K.; Domel, August G.; Weaver, James C.; Wen, Li; Bertoldi, Katia

2016-10-01

The interface between the fluid environment and the surface of the body in swimming fishes is critical for both physiological and hydrodynamic functions. The skin surface in most species of fishes is covered with bony scales or toothlike denticles (in sharks). Despite the apparent importance of fish surfaces for understanding aquatic locomotion and near-surface boundary layer flows, relatively little attention has been paid to either the nature of surface textures in fishes or possible hydrodynamic effects of variation in roughness around the body surface within an individual and among species. Fish surfaces are remarkably diverse and in many bony fishes scales can have an intricate surface texture with projections, ridges, and comblike extensions. Shark denticles (or scales) are toothlike and project out of the skin to form a complexly textured surface that interacts with free-stream flow. Manufacturing biomimetic foils with fishlike surfaces allows hydrodynamic testing and we emphasize here the importance of dynamic test conditions where the effect of surface textures is assessed under conditions of self-propulsion. We show that simple two-dimensional foils with patterned cuts do not perform as well as a smooth control surface, but that biomimetic shark skin foils can swim at higher self-propelled speeds than smooth controls. When the arrangement of denticles on the foil surface is altered, we find that a staggered-overlapped pattern outperforms other arrangements. Flexible foils made of real shark skin outperform sanded controls when foils are moved with a biologically realistic motion program. We suggest that focus on the mechanisms of drag reduction by fish surfaces has been too limiting and an additional role of fish surface textures may be to alter leading edge vortices and flow patterns on moving surfaces in a way that enhances thrust. Analysis of water flow over an artificial shark skin foil under both static and dynamic conditions shows that a shear layer

Molecular Structure and Dynamics in Thin Water Films at the Silica and Graphite Surfaces

Energy Technology Data Exchange (ETDEWEB)

Argyris, Dr. Dimitrios [University of Oklahoma; Tummala, Dr. Naga Rajesh [University of Oklahoma; StrioloDr., A [Vanderbilt University; Cole, David R [ORNL

2008-01-01

The structure and dynamic properties of interfacial water at the graphite and silica solid surfaces were investigated using molecular dynamics simulations. The effect of surface properties on the characteristics of interfacial water was quantified by computing density profiles, radial distribution functions, surface density distributions, orientation order parameters, and residence and reorientation correlation functions. In brief, our results show that the surface roughness, chemical heterogeneity, and surface heterogeneous charge distribution affect the structural and dynamic properties of the interfacial water molecules, as well as their rate of exchange with bulk water. Most importantly, our results indicate the formation of two distinct water layers at the SiO2 surface covered by a large density of hydroxyl groups. Further analysis of the data suggests a highly confined first layer where the water molecules assume preferential hydrogen-down orientation and a second layer whose behavior and characteristics are highly dependent on those of the first layer through a well-organized hydrogen bond network. The results suggest that water-water interactions, in particular hydrogen bonds, may be largely responsible for macroscopic interfacial properties such as adsorption and contact angle.

Analysis of forward and inverse problems in chemical dynamics and spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Rabitz, H. [Princeton Univ., NJ (United States)

1993-12-01

The overall scope of this research concerns the development and application of forward and inverse analysis tools for problems in chemical dynamics and chemical kinetics. The chemical dynamics work is specifically associated with relating features in potential surfaces and resultant dynamical behavior. The analogous inverse research aims to provide stable algorithms for extracting potential surfaces from laboratory data. In the case of chemical kinetics, the focus is on the development of systematic means to reduce the complexity of chemical kinetic models. Recent progress in these directions is summarized below.

Investigating the dynamics of surface-immobilized DNA nanomachines

Science.gov (United States)

Dunn, Katherine E.; Trefzer, Martin A.; Johnson, Steven; Tyrrell, Andy M.

2016-07-01

Surface-immobilization of molecules can have a profound influence on their structure, function and dynamics. Toehold-mediated strand displacement is often used in solution to drive synthetic nanomachines made from DNA, but the effects of surface-immobilization on the mechanism and kinetics of this reaction have not yet been fully elucidated. Here we show that the kinetics of strand displacement in surface-immobilized nanomachines are significantly different to those of the solution phase reaction, and we attribute this to the effects of intermolecular interactions within the DNA layer. We demonstrate that the dynamics of strand displacement can be manipulated by changing strand length, concentration and G/C content. By inserting mismatched bases it is also possible to tune the rates of the constituent displacement processes (toehold-binding and branch migration) independently, and information can be encoded in the time-dependence of the overall reaction. Our findings will facilitate the rational design of surface-immobilized dynamic DNA nanomachines, including computing devices and track-based motors.

Design and Dynamics Analysis of a Bio-Inspired Intermittent Hopping Robot for Planetary Surface Exploration

Directory of Open Access Journals (Sweden)

Long Bai

2012-10-01

Full Text Available A small, bio-inspired and minimally actuated intermittent hopping robot for planetary surface exploration is proposed in this paper. The robot uses a combined-geared six-bar linkage/spring mechanism, which has a possible rich trajectory and metamorphic characteristics and, due to this, the robot is able to recharge, lock/release and jump by using just a micro-power motor as the actuator. Since the robotic system has a closed-chain structure and employs underactuated redundant motion, the constrained multi-body dynamics are derived with time-varying driving parameters and ground unilateral constraint both taken into consideration. In addition, the established dynamics equations, mixed of higher order differential and algebraic expressions, are solved by the immediate integration algorithm. A prototype is implemented and experiments are carried out. The results show that the robot, using a micro-power motor as the actuator and solar cells as the power supply, can achieve a biomimetic multi-body hopping stance and a nonlinearly increasing driving force. Typically, the robot can jump a horizontal distance of about 1 m and a vertical height of about 0.3 m, with its trunk and foot moving stably during takeoff. In addition, the computational and experimental results are consistent as regards the hopping performance of the robot, which suggests that the proposed dynamics model and its solution have general applicability to motion prediction and the performance analysis of intermittent hopping robots.

Dynamic Defrosting on Scalable Superhydrophobic Surfaces

International Nuclear Information System (INIS)

Murphy, Kevin R.; McClintic, William T.; Lester, Kevin C.; Collier, C. Patrick; Boreyko, Jonathan B.

2017-01-01

Recent studies have shown that frost can grow in a suspended Cassie state on nanostructured superhydrophobic surfaces. During defrosting, the melting sheet of Cassie frost spontaneously dewets into quasi-spherical slush droplets that are highly mobile. Promoting Cassie frost would therefore seem advantageous from a defrosting standpoint; however, nobody has systematically compared the efficiency of defrosting Cassie ice versus defrosting conventional surfaces. Here, we characterize the defrosting of an aluminum plate, one-half of which exhibits a superhydrophobic nanostructure while the other half is smooth and hydrophobic. For thick frost sheets (>1 mm), the superhydrophobic surface was able to dynamically shed the meltwater, even at very low tilt angles. In contrast, the hydrophobic surface was unable to shed any appreciable meltwater even at a 90° tilt angle. For thin frost layers (≲1 mm), not even the superhydrophobic surface could mobilize the meltwater. We attribute this to the large apparent contact angle of the meltwater, which for small amounts of frost serves to minimize coalescence events and prevent droplets from approaching the capillary length. Finally, we demonstrate a new mode of dynamic defrosting using an upside-down surface orientation, where the melting frost was able to uniformly detach from the superhydrophobic side and subsequently pull the frost from the hydrophobic side in a chain reaction. Treating surfaces to enable Cassie frost is therefore very desirable for enabling rapid and low-energy thermal defrosting, but only for frost sheets that are sufficiently thick.

Study on dynamic deformation synchronized measurement technology of double-layer liquid surfaces

Science.gov (United States)

Tang, Huiying; Dong, Huimin; Liu, Zhanwei

2017-11-01

Accurate measurement of the dynamic deformation of double-layer liquid surfaces plays an important role in many fields, such as fluid mechanics, biomechanics, petrochemical industry and aerospace engineering. It is difficult to measure dynamic deformation of double-layer liquid surfaces synchronously for traditional methods. In this paper, a novel and effective method for full-field static and dynamic deformation measurement of double-layer liquid surfaces has been developed, that is wavefront distortion of double-wavelength transmission light with geometric phase analysis (GPA) method. Double wavelength lattice patterns used here are produced by two techniques, one is by double wavelength laser, and the other is by liquid crystal display (LCD). The techniques combine the characteristics such as high transparency, low reflectivity and fluidity of liquid. Two color lattice patterns produced by laser and LCD were adjusted at a certain angle through the tested double-layer liquid surfaces simultaneously. On the basis of the refractive indexes difference of two transmitted lights, the double-layer liquid surfaces were decoupled with GPA method. Combined with the derived relationship between phase variation of transmission-lattice patterns and out-of plane heights of two surfaces, as well as considering the height curves of the liquid level, the double-layer liquid surfaces can be reconstructed successfully. Compared with the traditional measurement method, the developed method not only has the common advantages of the optical measurement methods, such as high-precision, full-field and non-contact, but also simple, low cost and easy to set up.

Coupled slow and fast surface dynamics in an electrocatalytic oscillator: Model and simulations

International Nuclear Information System (INIS)

Nascimento, Melke A.; Nagao, Raphael; Eiswirth, Markus; Varela, Hamilton

2014-01-01

The co-existence of disparate time scales is pervasive in many systems. In particular for surface reactions, it has been shown that the long-term evolution of the core oscillator is decisively influenced by slow surface changes, such as progressing deactivation. Here we present an in-depth numerical investigation of the coupled slow and fast surface dynamics in an electrocatalytic oscillator. The model consists of four nonlinear coupled ordinary differential equations, investigated over a wide parameter range. Besides the conventional bifurcation analysis, the system was studied by means of high-resolution period and Lyapunov diagrams. It was observed that the bifurcation diagram changes considerably as the irreversible surface poisoning evolves, and the oscillatory region shrinks. The qualitative dynamics changes accordingly and the chaotic oscillations are dramatically suppressed. Nevertheless, periodic cascades are preserved in a confined region of the resistance vs. voltage diagram. Numerical results are compared to experiments published earlier and the latter reinterpreted. Finally, the comprehensive description of the time-evolution in the period and Lyapunov diagrams suggests further experimental studies correlating the evolution of the system's dynamics with changes of the catalyst structure

Nonlinear dynamics in the perceptual grouping of connected surfaces.

Science.gov (United States)

Hock, Howard S; Schöner, Gregor

2016-09-01

Evidence obtained using the dynamic grouping method has shown that the grouping of an object's connected surfaces has properties characteristic of a nonlinear dynamical system. When a surface's luminance changes, one of its boundaries is perceived moving across the surface. The direction of this dynamic grouping (DG) motion indicates which of two flanking surfaces has been grouped with the changing surface. A quantitative measure of overall grouping strength (affinity) for adjacent surfaces is provided by the frequency of DG motion perception in directions promoted by the grouping variables. It was found that: (1) variables affecting surface grouping for three-surface objects evolve over time, settling at stable levels within a single fixation, (2) how often DG motion is perceived when a surface's luminance is perturbed (changed) depends on the pre-perturbation affinity state of the surface grouping, (3) grouping variables promoting the same surface grouping combine cooperatively and nonlinearly (super-additively) in determining the surface grouping's affinity, (4) different DG motion directions during different trials indicate that surface grouping can be bistable, which implies that inhibitory interactions have stabilized one of two alternative surface groupings, and (5) when alternative surface groupings have identical affinity, stochastic fluctuations can break the symmetry and inhibitory interactions can then stabilize one of the surface groupings, providing affinity levels are not too high (which results in bidirectional DG motion). A surface-grouping network is proposed within which boundaries vary in salience. Low salience or suppressed boundaries instantiate surface grouping, and DG motion results from changes in boundary salience. Copyright © 2015 Elsevier Ltd. All rights reserved.

Dynamic Factor Models for the Volatility Surface

DEFF Research Database (Denmark)

van der Wel, Michel; Ozturk, Sait R.; Dijk, Dick van

The implied volatility surface is the collection of volatilities implied by option contracts for different strike prices and time-to-maturity. We study factor models to capture the dynamics of this three-dimensional implied volatility surface. Three model types are considered to examine desirable...

Surface activation of cyclo olefin polymer by oxygen plasma discharge: a molecular dynamics study

International Nuclear Information System (INIS)

Soberon, Felipe

2014-01-01

Thermoplastic substrates made of cyclo olefin polymer (COP) are treated with oxygen plasma discharges to introduce polar groups at the surface. This is the first step in the process of surface functionalization of COP substrates used in biosensor devices. A molecular dynamics model of basic COP structure is implemented using the second-generation reactive empirical bond order (REBO) potentials for hydrocarbon–oxygen interactions. The model includes covalent bond and Van der Waals interactions. The bombardment of a COP surface with mono-energetic atomic oxygen ions, energy in the range 1-35 eV, is simulated and reported here. The dynamics of the substrate modification reveals that the substrate top layer is de-hydrogenated and subsequently builds up an oxygen–carbon matrix layer, ∼10 Å thick. Analysis of the modified substrates indicates that surface yield is predominantly peroxide groups. (paper)

Surface dynamics of micellar diblock copolymer films

Science.gov (United States)

Song, Sanghoon; Cha, Wonsuk; Kim, Hyunjung; Jiang, Zhang; Narayanan, Suresh

2011-03-01

We studied the structure and surface dynamics of poly(styrene)-b-poly(dimethylsiloxane) (PS-b-PDMS) diblock copolymer films with micellar PDMS surrounded by PS shells. By `in-situ' high resolution synchrotron x-ray reflectivity and diffuse scattering, we obtained exact thickness, electron density and surface tension. A segregation layer near the top surface was appeared with increasing temperature Surface dynamics were measured as a function of film thickness and temperature by x-ray photon correlation spectroscopy. The best fit to relaxation time constants as a function of in-plane wavevectors were analyzed with a theory based on capillary waves with hydrodynamics with bilayer model Finally the viscosities for the top segregated layer as well as for the bottom layer are obtained at given temperatures This work was supported by National Research Foundation of Korea (R15-2008-006-01001-0), Seoul Research and Business Development Program (10816), and Sogang University Research Grant (2010).

Simplified Dynamic Analysis of Grinders Spindle Node

Science.gov (United States)

Demec, Peter

2014-12-01

The contribution deals with the simplified dynamic analysis of surface grinding machine spindle node. Dynamic analysis is based on the use of the transfer matrix method, which is essentially a matrix form of method of initial parameters. The advantage of the described method, despite the seemingly complex mathematical apparatus, is primarily, that it does not require for solve the problem of costly commercial software using finite element method. All calculations can be made for example in MS Excel, which is advantageous especially in the initial stages of constructing of spindle node for the rapid assessment of the suitability its design. After detailing the entire structure of spindle node is then also necessary to perform the refined dynamic analysis in the environment of FEM, which it requires the necessary skills and experience and it is therefore economically difficult. This work was developed within grant project KEGA No. 023TUKE-4/2012 Creation of a comprehensive educational - teaching material for the article Production technique using a combination of traditional and modern information technology and e-learning.

Quantitative Analysis of Hepatitis C NS5A Viral Protein Dynamics on the ER Surface

Directory of Open Access Journals (Sweden)

Markus M. Knodel

2018-01-01

Full Text Available Exploring biophysical properties of virus-encoded components and their requirement for virus replication is an exciting new area of interdisciplinary virological research. To date, spatial resolution has only rarely been analyzed in computational/biophysical descriptions of virus replication dynamics. However, it is widely acknowledged that intracellular spatial dependence is a crucial component of virus life cycles. The hepatitis C virus-encoded NS5A protein is an endoplasmatic reticulum (ER-anchored viral protein and an essential component of the virus replication machinery. Therefore, we simulate NS5A dynamics on realistic reconstructed, curved ER surfaces by means of surface partial differential equations (sPDE upon unstructured grids. We match the in silico NS5A diffusion constant such that the NS5A sPDE simulation data reproduce experimental NS5A fluorescence recovery after photobleaching (FRAP time series data. This parameter estimation yields the NS5A diffusion constant. Such parameters are needed for spatial models of HCV dynamics, which we are developing in parallel but remain qualitative at this stage. Thus, our present study likely provides the first quantitative biophysical description of the movement of a viral component. Our spatio-temporal resolved ansatz paves new ways for understanding intricate spatial-defined processes central to specfic aspects of virus life cycles.

Quantitative Analysis of Hepatitis C NS5A Viral Protein Dynamics on the ER Surface.

Science.gov (United States)

Knodel, Markus M; Nägel, Arne; Reiter, Sebastian; Vogel, Andreas; Targett-Adams, Paul; McLauchlan, John; Herrmann, Eva; Wittum, Gabriel

2018-01-08

Exploring biophysical properties of virus-encoded components and their requirement for virus replication is an exciting new area of interdisciplinary virological research. To date, spatial resolution has only rarely been analyzed in computational/biophysical descriptions of virus replication dynamics. However, it is widely acknowledged that intracellular spatial dependence is a crucial component of virus life cycles. The hepatitis C virus-encoded NS5A protein is an endoplasmatic reticulum (ER)-anchored viral protein and an essential component of the virus replication machinery. Therefore, we simulate NS5A dynamics on realistic reconstructed, curved ER surfaces by means of surface partial differential equations (sPDE) upon unstructured grids. We match the in silico NS5A diffusion constant such that the NS5A sPDE simulation data reproduce experimental NS5A fluorescence recovery after photobleaching (FRAP) time series data. This parameter estimation yields the NS5A diffusion constant. Such parameters are needed for spatial models of HCV dynamics, which we are developing in parallel but remain qualitative at this stage. Thus, our present study likely provides the first quantitative biophysical description of the movement of a viral component. Our spatio-temporal resolved ansatz paves new ways for understanding intricate spatial-defined processes central to specfic aspects of virus life cycles.

Quantitative Analysis of Hepatitis C NS5A Viral Protein Dynamics on the ER Surface

Science.gov (United States)

Nägel, Arne; Reiter, Sebastian; Vogel, Andreas; McLauchlan, John; Herrmann, Eva; Wittum, Gabriel

2018-01-01

Exploring biophysical properties of virus-encoded components and their requirement for virus replication is an exciting new area of interdisciplinary virological research. To date, spatial resolution has only rarely been analyzed in computational/biophysical descriptions of virus replication dynamics. However, it is widely acknowledged that intracellular spatial dependence is a crucial component of virus life cycles. The hepatitis C virus-encoded NS5A protein is an endoplasmatic reticulum (ER)-anchored viral protein and an essential component of the virus replication machinery. Therefore, we simulate NS5A dynamics on realistic reconstructed, curved ER surfaces by means of surface partial differential equations (sPDE) upon unstructured grids. We match the in silico NS5A diffusion constant such that the NS5A sPDE simulation data reproduce experimental NS5A fluorescence recovery after photobleaching (FRAP) time series data. This parameter estimation yields the NS5A diffusion constant. Such parameters are needed for spatial models of HCV dynamics, which we are developing in parallel but remain qualitative at this stage. Thus, our present study likely provides the first quantitative biophysical description of the movement of a viral component. Our spatio-temporal resolved ansatz paves new ways for understanding intricate spatial-defined processes central to specfic aspects of virus life cycles. PMID:29316722

Quantitative Analysis of Hepatitis C NS5A Viral Protein Dynamics on the ER Surface

KAUST Repository

Knodel, Markus

2018-01-08

Exploring biophysical properties of virus-encoded components and their requirement for virus replication is an exciting new area of interdisciplinary virological research. To date, spatial resolution has only rarely been analyzed in computational/biophysical descriptions of virus replication dynamics. However, it is widely acknowledged that intracellular spatial dependence is a crucial component of virus life cycles. The hepatitis C virus-encoded NS5A protein is an endoplasmatic reticulum (ER)-anchored viral protein and an essential component of the virus replication machinery. Therefore, we simulate NS5A dynamics on realistic reconstructed, curved ER surfaces by means of surface partial differential equations (sPDE) upon unstructured grids. We match the in silico NS5A diffusion constant such that the NS5A sPDE simulation data reproduce experimental NS5A fluorescence recovery after photobleaching (FRAP) time series data. This parameter estimation yields the NS5A diffusion constant. Such parameters are needed for spatial models of HCV dynamics, which we are developing in parallel but remain qualitative at this stage. Thus, our present study likely provides the first quantitative biophysical description of the movement of a viral component. Our spatio-temporal resolved ansatz paves new ways for understanding intricate spatial-defined processes central to specfic aspects of virus life cycles.

Sub-nanometer glass surface dynamics induced by illumination

International Nuclear Information System (INIS)

Nguyen, Duc; Nienhaus, Lea; Haasch, Richard T.; Lyding, Joseph; Gruebele, Martin

2015-01-01

Illumination is known to induce stress and morphology changes in opaque glasses. Amorphous silicon carbide (a-SiC) has a smaller bandgap than the crystal. Thus, we were able to excite with 532 nm light a 1 μm amorphous surface layer on a SiC crystal while recording time-lapse movies of glass surface dynamics by scanning tunneling microscopy (STM). Photoexcitation of the a-SiC surface layer through the transparent crystal avoids heating the STM tip. Up to 6 × 10 4 s, long movies of surface dynamics with 40 s time resolution and sub-nanometer spatial resolution were obtained. Clusters of ca. 3-5 glass forming units diameter are seen to cooperatively hop between two states at the surface. Photoexcitation with green laser light recruits immobile clusters to hop, rather than increasing the rate at which already mobile clusters hop. No significant laser heating was observed. Thus, we favor an athermal mechanism whereby electronic excitation of a-SiC directly controls glassy surface dynamics. This mechanism is supported by an exciton migration-relaxation-thermal diffusion model. Individual clusters take ∼1 h to populate states differently after the light intensity has changed. We believe the surrounding matrix rearranges slowly when it is stressed by a change in laser intensity, and clusters serve as a diagnostic. Such cluster hopping and matrix rearrangement could underlie the microscopic mechanism of photoinduced aging of opaque glasses

Analysis of vorticity dynamics for hump characteristics of a pump turbine model

Energy Technology Data Exchange (ETDEWEB)

Li, Deyou; Gong, Ruzhi; Wang, Hongjie; Han, Lei; Wei, Xianzhu; Qin, Daqing [School of Energy Science and Engineering, Harbin Institute of Technology, Harbin (China)

2016-08-15

Conventional parameters based on CFD methodology for the investigation on hump characteristics of a pump turbine cannot reflect the dynamic interaction mechanism between the runner and the fluid. This research presents a dynamic interaction mechanism of a pump turbine operating in the hump region. First, vorticity dynamic parameters were obtained based on the theory of vorticity dynamics. Second, 3-D unsteady flow simulations were performed in a full pump turbine model using the SST k-ω turbulence model, and numerical results have a good agreement with the experiments. Then, analysis was carried out to determine the relation between the vorticity dynamic parameters and hump characteristics. The results indicate that the theory of vorticity dynamics has an advantage in evaluating the dynamic performance of a pump turbine. The energy transfer between the runner and the fluid is through vorticity dynamic parameters-pressure and friction terms, in which the pressure term accounts for the most. Furthermore, vortex generation mainly results from the skin friction. Combining vorticity dynamic analysis with the method of Q-criterion indicates that hump characteristics are related to the reduction of the surface normal pressure work and vortex motion on the suction surfaces close to the leading edges in the runner, and the increase of skin friction work in the stay-guide vanes.

Dynamic surface properties of poly(methylalkyldiallylammonium chloride) solutions

Czech Academy of Sciences Publication Activity Database

Novikova, A. A.; Vlasov, P. S.; Lin, S.-Y.; Sedláková, Zdeňka; Noskov, B. A.

2017-01-01

Roč. 80, November (2017), s. 122-127 ISSN 1876-1070 Institutional support: RVO:61389013 Keywords : polymer solutions * dynamic surface tension * dilational surface rheology Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 4.217, year: 2016

Dynamical modeling of surface tension

International Nuclear Information System (INIS)

Brackbill, J.U.; Kothe, D.B.

1996-01-01

In a recent review it is said that free-surface flows ''represent some of the difficult remaining challenges in computational fluid dynamics''. There has been progress with the development of new approaches to treating interfaces, such as the level-set method and the improvement of older methods such as the VOF method. A common theme of many of the new developments has been the regularization of discontinuities at the interface. One example of this approach is the continuum surface force (CSF) formulation for surface tension, which replaces the surface stress given by Laplace's equation by an equivalent volume force. Here, we describe how CSF might be made more useful. Specifically, we consider a derivation of the CSF equations from a minimization of surface energy as outlined by Jacqmin. This reformulation suggests that if one eliminates the computation of curvature in terms of a unit normal vector, parasitic currents may be eliminated For this reformulation to work, it is necessary that transition region thickness be controlled. Various means for this, in addition to the one discussed by Jacqmin are discussed

Monitoring peptide-surface interaction by means of molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Nonella, Marco, E-mail: mnonella@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland); Seeger, Stefan, E-mail: sseeger@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland)

2010-12-09

Graphical abstract: Protein-surface interactions play a crucial role in a wide field of research areas like biology, biotechnology, or pharmacology. Only recently, it has been shown that not only peptide adsorption represents an important process but also spreading and clustering of adsorbed proteins. By means of classical molecular dynamics, peptide adsorption as well as the dynamics of adsorbed peptides have been investigated in order to gain deeper insight into such processes. The picture shows a snapshot of an adsorbed peptide on a silica surface showing strong direct hydrogen bonding. Research highlights: {yields} Simulation of peptide surface interaction. {yields} Dynamics of hydrogen bond formation and destruction. {yields} Internal flexibility of adsorbed peptides. - Abstract: Protein adsorption and protein surface interactions have become an important research topic in recent years. Very recently, for example, it has been shown that protein clusters can undergo a surface-induced spreading after adsorption. Such phenomena emphasize the need of a more detailed insight into protein-silica interaction at an atomic level. Therefore, we have studied a model system consisting of a short peptide, a silica slab, and water molecules by means of classical molecular dynamics simulations. The study reveals that, besides of electrostatic interactions caused by the chosen charge distribution, the peptide interacts with the silica surface through formation of direct peptide-surface hydrogen bonds as well as indirect peptide-water-surface hydrogen bonds. The number of created hydrogen bonds varies considerably among the simulated structures. The strength of hydrogen bonding determines the mobility of the peptide on the surface and the internal flexibility of the adsorbed peptide.

Study of Dynamic Features of Surface Plasma in High-Power Disk Laser Welding

International Nuclear Information System (INIS)

Wang Teng; Gao Xiangdong; Seiji, Katayama; Jin, Xiaoli

2012-01-01

High-speed photography was used to obtain the dynamic changes in the surface plasma during a high-power disk laser welding process. A color space clustering algorithm to extract the edge information of the surface plasma region was developed in order to improve the accuracy of image processing. With a comparative analysis of the plasma features, i.e., area and height, and the characteristics of the welded seam, the relationship between the surface plasma and the stability of the laser welding process was characterized, which provides a basic understanding for the real-time monitoring of laser welding.

Fluid free surface effect on the vibration analysis of cylindrical shells

International Nuclear Information System (INIS)

Lakis, A.A.; Brusuc, G.; Toorani, M.

2007-01-01

The present study is to investigate the effect of free surface motion of the fluid on the dynamic behavior of the thin-walled cylindrical shells. This paper outlines a semi-analytical approach to dynamic analysis of the fluid-filled horizontal cylindrical shell taking into account the free surface motion effect. The aim of the method is to provide a general approach that can be used for both analysis and synthesis of fluid structure interaction problems in the horizontal cylindrical shells where the dynamic interaction of a flexible structure and incompressible and inviscid flow is in focus. The approach is very general and allows for dynamic analysis of both uniform and non-uniform cylindrical shell considering the fluid forces including the sloshing effect exerted on the structure. The hybrid method developed in this work is on the basis of a combination of the classical finite element approach and the thin shell theory to determine the specific displacement functions. Mass and stiffness matrices of the shell are determined by precise analytical integration. A potential function is considered to develop the dynamic pressure due to the fluid. The kinetic and potential energies are evaluated for a range of fluid height to find the influence of the fluid on the dynamic responses of the structure. The influence of the physical and geometrical parameters on the fluid-structure system has been considered in the numerical solutions. When these results are compared with corresponding results available in the literature, both theory and experiment, very good agreement is obtained. (authors)

Theoretical Studies of the Structure and the Dynamics on Clean and Chemisorbed Metal Surfaces

Science.gov (United States)

Yang, Liqiu

Molecular dynamics (MD) and lattice dynamics (LD) techniques are employed to investigate several phenomena related to the structure and vibrations at metal surfaces. The MD simulations are performed with the many-body interaction potentials obtained using the Embedded-Atom Method (EAM). As specific examples, we present the results for Ag(100) at 300 K and Cu(100) at 150 K, 300 K, and 600 K. The calculated frequencies and polarizations of all surface modes and resonances at the high-symmetry points in the two-dimensional Brillouin zone are in good agreement with available data, as well as, existing lattice dynamics results with force constants obtained from first-principles calculations. Our calculated surface relaxation is also in reasonable agreement with the data. We also test a much simpler lattice dynamics model with nearest neighbor central force interactions, and conclude that it can reproduce the main features of the phonon modes, but only when adjustable surface parameters are used. Additionally, the temperature dependent studies of the phonon line-widths and the mean-square displacement (MSD) of surface atoms are indicative of enhanced surface anharmonicity. On several chemisorbed metal surfaces, for which force constants are not available from first-principles calculations or the EAM, we perform lattice dynamics studies of phonon dispersion curves using simple force-constant models. These studies provide reliable mean-square displacement of surface atoms and can distinguish between possible reconstruction patterns, the results being insensitive to the exact values of the surface parameters. On c(2 times 2)S-Ni(100), it is found that the parallel component of the mean-square displacement for sulfur is around 50% larger than the vertical component, but for the mean-square displacement of oxygen atoms in the system c(2 times 2)O-Ni(100), the opposite is the case. As regards surface reconstruction, for both p(2 times 1)O-Ag(110) and p(2 times 1)O-Ni(110

Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering

International Nuclear Information System (INIS)

Mamontov, Eugene; Brown, Gilbert M.; Overbury, Steven H.; Mavila Chathoth, Suresh

2012-01-01

We used quasielastic neutron scattering (QENS) to study the dynamics of phenanthrenequinone (PQ) on the surface of onion-like carbon (OLC), or so called carbon onions, as a function of surface coverage and temperature. For both the high- and low-coverage samples, we observed two diffusion processes; a faster process and nearly an order of magnitude slower process. On the high-coverage surface, the slow diffusion process is of long-range translational character, whereas the fast diffusion process is spatially localized on the length scale of ∼ 4.7. On the low-coverage surface, both diffusion processes are spatially localized; on the same length scale of ∼ 4.7 for the fast diffusion and a somewhat larger length scale for the slow diffusion. Arrhenius temperature dependence is observed except for the long-range diffusion on the high-coverage surface. We attribute the fast diffusion process to the generic localized in-cage dynamics of PQ molecules, and the slow diffusion process to the long-range translational dynamics of PQ molecules, which, depending on the coverage, may be either spatially restricted, or long-range. On the low-coverage surface, uniform surface coverage is not attained, and the PQ molecules experience the effect of spatial constraints on their long-range translational dynamics. Unexpectedly, the dynamics of PQ molecules on OLC as a function of temperature and surface coverage bears qualitative resemblance to the dynamics of water molecules on oxide surfaces, including practically temperature-independent residence times for the low-coverage surface. The dynamics features that we observed may be universal across different classes of surface adsorbates.

Self-assembly, Dynamics and Chirality of Conformational Switches on Metal Surfaces Studied by UHV-STM

DEFF Research Database (Denmark)

Nuermaimaiti, Ajiguli

2013-01-01

structures formed by the conformational switches and statistical analysis of conformational states, a detailed study of dynamic processes is performed by acquiring time-resolved STM data. Furthermore, one of the possible applications of conformational switches towards inducing chirality in surface assemblies...

Dynamic interactions of Leidenfrost droplets on liquid metal surface

Science.gov (United States)

Ding, Yujie; Liu, Jing

2016-09-01

Leidenfrost dynamic interaction effects of the isopentane droplets on the surface of heated liquid metal were disclosed. Unlike conventional rigid metal, such conductive and deformable liquid metal surface enables the levitating droplets to demonstrate rather abundant and complex dynamics. The Leidenfrost droplets at different diameters present diverse morphologies and behaviors like rotation and oscillation. Depending on the distance between the evaporating droplets, they attract and repulse each other through the curved surfaces beneath them and their vapor flows. With high boiling point up to 2000 °C, liquid metal offers a unique platform for testing the evaporating properties of a wide variety of liquid even solid.

Study on Dynamic Development of Three-dimensional Weld Pool Surface in Stationary GTAW

Science.gov (United States)

Huang, Jiankang; He, Jing; He, Xiaoying; Shi, Yu; Fan, Ding

2018-04-01

The weld pool contains abundant information about the welding process. In particular, the type of the weld pool surface shape, i. e., convex or concave, is determined by the weld penetration. To detect it, an innovative laser-vision-based sensing method is employed to observe the weld pool surface of the gas tungsten arc welding (GTAW). A low-power laser dots pattern is projected onto the entire weld pool surface. Its reflection is intercepted by a screen and captured by a camera. Then the dynamic development process of the weld pool surface can be detected. By observing and analyzing, the change of the reflected laser dots reflection pattern, for shape of the weld pool surface shape, was found to closely correlate to the penetration of weld pool in the welding process. A mathematical model was proposed to correlate the incident ray, reflected ray, screen and surface of weld pool based on structured laser specular reflection. The dynamic variation of the weld pool surface and its corresponding dots laser pattern were simulated and analyzed. By combining the experimental data and the mathematical analysis, the results show that the pattern of the reflected laser dots pattern is closely correlated to the development of weld pool, such as the weld penetration. The concavity of the pool surface was found to increase rapidly after the surface shape was changed from convex to concave during the stationary GTAW process.

Reaction dynamics of molecular hydrogen on silicon surfaces

DEFF Research Database (Denmark)

Bratu, P.; Brenig, W.; Gross, A.

1996-01-01

of the preexponential factor by about one order of magnitude per lateral degree of freedom. Molecular vibrations have practically no effect on the adsorption/desorption dynamics itself, but lead to vibrational heating in desorption with a strong isotope effect. Ab initio calculations for the H-2 interaction...... between the two surfaces. These results indicate that tunneling, molecular vibrations, and the structural details of the surface play only a minor role for the adsorption dynamics. Instead, they appear to be governed by the localized H-Si bonding and Si-Si lattice vibrations. Theoretically, an effective......Experimental and theoretical results on the dynamics of dissociative adsorption and recombinative desorption of hydrogen on silicon are presented. Using optical second-harmonic generation, extremely small sticking probabilities in the range 10(-9)-10(-5) could be measured for H-2 and D-2 on Si(111...

Atomic probes of surface structure and dynamics

International Nuclear Information System (INIS)

Heller, E.J.; Jonsson, H.

1992-01-01

Progress for the period Sept. 15, 1992 to Sept. 14, 1993 is discussed. Semiclassical methods that will allow much faster and more accurate three-dimensional atom--surface scattering calculations, both elastic and inelastic, are being developed. The scattering of He atoms from buckyballs is being investigated as a test problem. Somewhat more detail is given on studies of He atom scattering from defective Pt surfaces. Molecular dynamics simulations of He + and Ar + ion sputtering of Pt surfaces are also being done. He atom scattering from Xe overlayers on metal surfaces and the thermalized dissociation of H 2 on Cu(110) are being studied. (R.W.R.) 64 refs

Dynamic rupture analysis of reinforced concrete shells

International Nuclear Information System (INIS)

Rebora, B.; Zimmermann, Th.; Wolf, J.P.

1976-01-01

Extreme dynamic loading conditions often require the rupture analysis of reinforced and prestressed-concrete structures. The study presented in this paper extends a method of analysis of dynamic loading conditions which has proven efficient for short-time loads. Another aim is to adapt the method to thin-walled structures. It is not sufficient to work only with plastic rupture and yield surfaces locally which are compared to the elastic distribution of the stress resultants; it is essential to account for the redistribution of the latter. The method proposed consists of discretizing the structure into isoparametric three-dimensional elements with 20 nodes for the concrete and one-dimensional bar elements with three nodes for the steel. The latter can also be handled with a 'smeared' two-dimensional membrane element. In compression a three-dimensional non-linear elastic constitutive law is introduced for the concrete, and a triaxial failure surface expressed in the stress invariants is used, determining cracking and crushing. Two- and three-dimensional cracking surfaces in which no components of stress are transmitted are accounted for. The possibility exists that, during the history of loading, cracks can close up again. For steel, a yield criterion is selected. The non-linear analysis is based on the concept of initial stress. Residual loads are calculated using information in Gauss integration points. The ultimate load is reached when the algorithm does not converge. The corresponding failure modes can be interpreted as those for which a state of equilibrium is no longer possible. The equations of motion are discretized in time, using an extension of the linear acceleration method. (Auth.)

Bulk-mediated surface diffusion: non-Markovian desorption dynamics

International Nuclear Information System (INIS)

Revelli, Jorge A; Budde, Carlos E; Prato, Domingo; Wio, Horacio S

2005-01-01

Here we analyse the dynamics of adsorbed molecules within the bulk-mediated surface diffusion framework, when the particle's desorption mechanism is characterized by a non-Markovian process, while the particle's adsorption as well as its motion in the bulk is governed by Markovian dynamics. We study the diffusion of particles in both semi-infinite and finite cubic lattices, analysing the conditional probability to find the system on the reference absorptive plane as well as the surface dispersion as functions of time. The results are compared with known Markovian cases showing the differences that can be exploited to distinguish between Markovian and non-Markovian desorption mechanisms in experimental situations

Structure and dynamics at the liquid surface of benzyl alcohol

International Nuclear Information System (INIS)

Dietter, J.; Morgner, H.

1999-01-01

A molecular dynamics simulation of a liquid layer of benzyl alcohol has been performed in order to compare the results with those obtained in experimental studies of our group. The main result of the experimental work was a strong orientational ordering of the benzyl alcohol molecules in the surface as well as an exceptionally large surface potential of ca. 0.6 V. According to the experiments the surface molecules orientate in such a way that the benzene ring points toward the vapor phase while the CH 2 group and the OH group are directed towards the bulk of the liquid. The simulation confirms this orientation of the surface molecules. The surface potential resulting from the simulation is 350 mV. The simulation reveals that the rather large surface potential can be understood as a consequence of the mean orientation of the molecular dipole moment in the surface region. The mean orientation of the molecules themselves in the surface is due to the tendency of the system to maintain the hydrogen bonding structure of the bulk in the surface region as well. The preferential orientation of the surface molecules causes a change of the dynamics of the individual components of the molecules when switching from bulk to surface which depends on the separation of these components from the polar group. This becomes most obvious in case of the reorientation dynamics of the molecular axes, e.g. the reorientation of the benzene ring is faster than the reorientation of the OH group. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Surface Properties of TNOs: Preliminary Statistical Analysis

Science.gov (United States)

Antonieta Barucci, Maria; Fornasier, S.; Alvarez-Cantal, A.; de Bergh, C.; Merlin, F.; DeMeo, F.; Dumas, C.

2009-09-01

An overview of the surface properties based on the last results obtained during the Large Program performed at ESO-VLT (2007-2008) will be presented. Simultaneous high quality visible and near-infrared spectroscopy and photometry have been carried out on 40 objects with various dynamical properties, using FORS1 (V), ISAAC (J) and SINFONI (H+K bands) mounted respectively at UT2, UT1 and UT4 VLT-ESO telescopes (Cerro Paranal, Chile). For spectroscopy we computed the spectral slope for each object and searched for possible rotational inhomogeneities. A few objects show features in their visible spectra such as Eris, whose spectral bands are displaced with respect to pure methane-ice. We identify new faint absorption features on 10199 Chariklo and 42355 Typhon, possibly due to the presence of aqueous altered materials. The H+K band spectroscopy was performed with the new instrument SINFONI which is a 3D integral field spectrometer. While some objects show no diagnostic spectral bands, others reveal surface deposits of ices of H2O, CH3OH, CH4, and N2. To investigate the surface properties of these bodies, a radiative transfer model has been applied to interpret the entire 0.4-2.4 micron spectral region. The diversity of the spectra suggests that these objects represent a substantial range of bulk compositions. These different surface compositions can be diagnostic of original compositional diversity, interior source and/or different evolution with different physical processes affecting the surfaces. A statistical analysis is in progress to investigate the correlation of the TNOs’ surface properties with size and dynamical properties.

Quasi-estatic and dynamic elasto/viscoplastic analysis of plates and shells

International Nuclear Information System (INIS)

Dinis, L.M.S.

1981-01-01

The non-linear quasi-static and dynamic analysis of plates and shells is presented using the finite - element method for spatial discretization and the Central Finite Differences for the integration of the transient dynamic equation. The behaviour of the material is represented by the elasto/viscoplastic model of Perzyna together with approximations of the Von Mises yield surfaces for plates and shells. (Author) [pt

Dynamic Analysis of a Pendulum Dynamic Automatic Balancer

Directory of Open Access Journals (Sweden)

Jin-Seung Sohn

2007-01-01

Full Text Available The automatic dynamic balancer is a device to reduce the vibration from unbalanced mass of rotors. Instead of considering prevailing ball automatic dynamic balancer, pendulum automatic dynamic balancer is analyzed. For the analysis of dynamic stability and behavior, the nonlinear equations of motion for a system are derived with respect to polar coordinates by the Lagrange's equations. The perturbation method is applied to investigate the dynamic behavior of the system around the equilibrium position. Based on the linearized equations, the dynamic stability of the system around the equilibrium positions is investigated by the eigenvalue analysis.

Dynamics of the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface: Molecular dynamics simulations

International Nuclear Information System (INIS)

Barros de Oliveira, Alan; Fortini, Andrea; Buldyrev, Sergey V.; Srolovitz, David

2011-01-01

We study the dynamics of the contact between a pair of surfaces (with properties designed to mimic ruthenium) via molecular dynamics simulations. In particular, we study the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface. The results of such simulations suggest that contact behavior is highly variable. The goal of this study is to investigate the source and degree of this variability. We find that during compression, the behavior of the contact force displacement curves is reproducible, while during contact separation, the behavior is highly variable. Examination of the contact surfaces suggests that two separation mechanisms are in operation and give rise to this variability. One mechanism corresponds to the formation of a bridge between the two surfaces that plastically stretches as the surfaces are drawn apart and eventually separate in shear. This leads to a morphology after separation in which there are opposing asperities on the two surfaces. This plastic separation/bridge formation mechanism leads to a large work of separation. The other mechanism is a more brittle-like mode in which a crack propagates across the base of the asperity (slightly below the asperity/substrate junction) leading to most of the asperity on one surface or the other after separation and a slight depression facing this asperity on the opposing surface. This failure mode corresponds to a smaller work of separation. This failure mode corresponds to a smaller work of separation. Furthermore, contacts made from materials that exhibit predominantly brittle-like behavior will tend to require lower work of separation than those made from ductile-like contact materials.

Validation of a laboratory method for evaluating dynamic properties of reconstructed equine racetrack surfaces.

Directory of Open Access Journals (Sweden)

Jacob J Setterbo

Full Text Available Racetrack surface is a risk factor for racehorse injuries and fatalities. Current research indicates that race surface mechanical properties may be influenced by material composition, moisture content, temperature, and maintenance. Race surface mechanical testing in a controlled laboratory setting would allow for objective evaluation of dynamic properties of surface and factors that affect surface behavior.To develop a method for reconstruction of race surfaces in the laboratory and validate the method by comparison with racetrack measurements of dynamic surface properties.Track-testing device (TTD impact tests were conducted to simulate equine hoof impact on dirt and synthetic race surfaces; tests were performed both in situ (racetrack and using laboratory reconstructions of harvested surface materials. Clegg Hammer in situ measurements were used to guide surface reconstruction in the laboratory. Dynamic surface properties were compared between in situ and laboratory settings. Relationships between racetrack TTD and Clegg Hammer measurements were analyzed using stepwise multiple linear regression.Most dynamic surface property setting differences (racetrack-laboratory were small relative to surface material type differences (dirt-synthetic. Clegg Hammer measurements were more strongly correlated with TTD measurements on the synthetic surface than the dirt surface. On the dirt surface, Clegg Hammer decelerations were negatively correlated with TTD forces.Laboratory reconstruction of racetrack surfaces guided by Clegg Hammer measurements yielded TTD impact measurements similar to in situ values. The negative correlation between TTD and Clegg Hammer measurements confirms the importance of instrument mass when drawing conclusions from testing results. Lighter impact devices may be less appropriate for assessing dynamic surface properties compared to testing equipment designed to simulate hoof impact (TTD.Dynamic impact properties of race surfaces

Hydration dynamics near a model protein surface

International Nuclear Information System (INIS)

Russo, Daniela; Hura, Greg; Head-Gordon, Teresa

2003-01-01

The evolution of water dynamics from dilute to very high concentration solutions of a prototypical hydrophobic amino acid with its polar backbone, N-acetyl-leucine-methylamide (NALMA), is studied by quasi-elastic neutron scattering and molecular dynamics simulation for both the completely deuterated and completely hydrogenated leucine monomer. We observe several unexpected features in the dynamics of these biological solutions under ambient conditions. The NALMA dynamics shows evidence of de Gennes narrowing, an indication of coherent long timescale structural relaxation dynamics. The translational water dynamics are analyzed in a first approximation with a jump diffusion model. At the highest solute concentrations, the hydration water dynamics is significantly suppressed and characterized by a long residential time and a slow diffusion coefficient. The analysis of the more dilute concentration solutions takes into account the results of the 2.0M solution as a model of the first hydration shell. Subtracting the first hydration layer based on the 2.0M spectra, the translational diffusion dynamics is still suppressed, although the rotational relaxation time and residential time are converged to bulk-water values. Molecular dynamics analysis shows spatially heterogeneous dynamics at high concentration that becomes homogeneous at more dilute concentrations. We discuss the hydration dynamics results of this model protein system in the context of glassy systems, protein function, and protein-protein interfaces

Global Analysis of Nonlinear Dynamics

CERN Document Server

Luo, Albert

2012-01-01

Global Analysis of Nonlinear Dynamics collects chapters on recent developments in global analysis of non-linear dynamical systems with a particular emphasis on cell mapping methods developed by Professor C.S. Hsu of the University of California, Berkeley. This collection of contributions prepared by a diverse group of internationally recognized researchers is intended to stimulate interests in global analysis of complex and high-dimensional nonlinear dynamical systems, whose global properties are largely unexplored at this time. This book also: Presents recent developments in global analysis of non-linear dynamical systems Provides in-depth considerations and extensions of cell mapping methods Adopts an inclusive style accessible to non-specialists and graduate students Global Analysis of Nonlinear Dynamics is an ideal reference for the community of nonlinear dynamics in different disciplines including engineering, applied mathematics, meteorology, life science, computational science, and medicine.  

A Novel Method to Magnetic Flux Linkage Optimization of Direct-Driven Surface-Mounted Permanent Magnet Synchronous Generator Based on Nonlinear Dynamic Analysis

Directory of Open Access Journals (Sweden)

Qian Xie

2016-07-01

Full Text Available This paper pays attention to magnetic flux linkage optimization of a direct-driven surface-mounted permanent magnet synchronous generator (D-SPMSG. A new compact representation of the D-SPMSG nonlinear dynamic differential equations to reduce system parameters is established. Furthermore, the nonlinear dynamic characteristics of new D-SPMSG equations in the process of varying magnetic flux linkage are considered, which are illustrated by Lyapunov exponent spectrums, phase orbits, Poincaré maps, time waveforms and bifurcation diagrams, and the magnetic flux linkage stable region of D-SPMSG is acquired concurrently. Based on the above modeling and analyses, a novel method of magnetic flux linkage optimization is presented. In addition, a 2 MW D-SPMSG 2D/3D model is designed by ANSYS software according to the practical design requirements. Finally, five cases of D-SPMSG models with different magnetic flux linkages are simulated by using the finite element analysis (FEA method. The nephograms of magnetic flux density are agreement with theoretical analysis, which both confirm the correctness and effectiveness of the proposed approach.

Behind adhesion of uranyl onto montmorillonite surface: A molecular dynamics study

Energy Technology Data Exchange (ETDEWEB)

Yang, W.; Zaoui, A., E-mail: azaoui@polytech-lille.fr

2013-10-15

Highlights: • We investigated the adsorption of uranyl onto Montmorillonite surface. • We studied the surface energy between layered Montmorillonite sheets. • We studied the work of adhesion between radionuclide and charged Montmorillonite. -- Abstract: We have performed molecular dynamics simulations to investigate the adsorption of radionuclide elements species onto substituted Montmorillonite (001) surface in the presence of different counterions. The structure and the dynamics of uranyl ion as well as its aquo, chloride ion, and carbonate complexes are analyzed. In addition, we have studied the surface energy between layered Montmorillonite sheets and the work of adhesion between radionuclide and charged Montmorillonite. The clay model used here is a Wyoming-type Montmorillonite with 0.75e negative charge per unit cell resulting from substitutions in Octahedral and Tetrahedral sheets. The system model was constructed based on CLAYFF force field potential model. To evaluate the thermodynamic work of adhesion, each surface and clay layer regions are converted to a thin film model. One and two species of radionuclide elements (UO{sub 2}(H{sub 2}O){sub 5},UO{sub 2}CO{sub 3}(H{sub 2}O){sub 5}, and UO{sub 2}Cl{sub 2}(H{sub 2}O){sub 5}) were deposited near the clay surface in a pseudo-two-dimensional periodic cell. Analysis shows that the uranyl ion structure is preserved with two axial oxygen atoms detected at 1.8 Å. Radial distribution functions results indicate that average U-O{sub w} distances are 2.45–2.61 Å, and 2.29–2.40 Å for U-O{sub c} distance. Average U-Cl distances are 2.78–3.08 Å, which is relatively larger than that of Uranium atom-Oxygen atom because of electrostatic factors.

Dynamics and diffusive-conformational coupling in polymer bulk samples and surfaces: a molecular dynamics study

International Nuclear Information System (INIS)

Vree, C; Mayr, S G

2010-01-01

The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T*, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains-as a fingerprint of structural reconfigurations-reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics.

On understanding the relationship between structure in the potential surface and observables in classical dynamics: A functional sensitivity analysis approach

International Nuclear Information System (INIS)

Judson, R.S.; Rabitz, H.

1987-01-01

The relationship between structure in the potential surface and classical mechanical observables is examined by means of functional sensitivity analysis. Functional sensitivities provide maps of the potential surface, highlighting those regions that play the greatest role in determining the behavior of observables. A set of differential equations for the sensitivities of the trajectory components are derived. These are then solved using a Green's function method. It is found that the sensitivities become singular at the trajectory turning points with the singularities going as eta -3 /sup // 2 , with eta being the distance from the nearest turning point. The sensitivities are zero outside of the energetically and dynamically allowed region of phase space. A second set of equations is derived from which the sensitivities of observables can be directly calculated. An adjoint Green's function technique is employed, providing an efficient method for numerically calculating these quantities. Sensitivity maps are presented for a simple collinear atom--diatom inelastic scattering problem and for two Henon--Heiles type Hamiltonians modeling

Modeling surface energy fluxes and thermal dynamics of a seasonally ice-covered hydroelectric reservoir.

Science.gov (United States)

Wang, Weifeng; Roulet, Nigel T; Strachan, Ian B; Tremblay, Alain

2016-04-15

The thermal dynamics of human created northern reservoirs (e.g., water temperatures and ice cover dynamics) influence carbon processing and air-water gas exchange. Here, we developed a process-based one-dimensional model (Snow, Ice, WAater, and Sediment: SIWAS) to simulate a full year's surface energy fluxes and thermal dynamics for a moderately large (>500km(2)) boreal hydroelectric reservoir in northern Quebec, Canada. There is a lack of climate and weather data for most of the Canadian boreal so we designed SIWAS with a minimum of inputs and with a daily time step. The modeled surface energy fluxes were consistent with six years of observations from eddy covariance measurements taken in the middle of the reservoir. The simulated water temperature profiles agreed well with observations from over 100 sites across the reservoir. The model successfully captured the observed annual trend of ice cover timing, although the model overestimated the length of ice cover period (15days). Sensitivity analysis revealed that air temperature significantly affects the ice cover duration, water and sediment temperatures, but that dissolved organic carbon concentrations have little effect on the heat fluxes, and water and sediment temperatures. We conclude that the SIWAS model is capable of simulating surface energy fluxes and thermal dynamics for boreal reservoirs in regions where high temporal resolution climate data are not available. SIWAS is suitable for integration into biogeochemical models for simulating a reservoir's carbon cycle. Copyright © 2016 Elsevier B.V. All rights reserved.

The Silica-Water Interface from the Analysis of Molecular Dynamic Simulations

KAUST Repository

Lardhi, Sheikha F.

2013-05-01

Surface chemistry is an emerging field that can give detailed insight about the elec- tronic properties and the interaction of complex material surfaces with their neigh- bors. This is for both solid-solid and solid-liquid interfaces. Among the latter class, the silica-water interface plays a major role in nature. Silica is among the most abundant materials on earth, as well in advanced technological applications such as catalysis and nanotechnology. This immediately indicates the relevance of a detailed understanding of the silica-water interface. In this study, we investigate the details of this interaction at microscopic level by analyzing trajectories obtained with ab initio molecular dynamic simulations. The system we consider consists of bulk liquid water confined between two β-cristobalite silica surfaces. The molecular dynamics were generated with the CP2K, an ab initio molecular dynamic simulation tool. The simulations are 25 picoseconds long, and the CP2K program was run on 64 cores on a supercomputer cluster. During the simulations the program integrates Newton’s equations of motion for the system and generates the trajectory for analysis. For analysis, we focused on the following properties that characterize the silica water interface. We calculated the density profile of the water layers from the silica surface, and we also calculated the radial distribution function (RDF) of the hydrogen bond at the silanols on the silica surface. The main focus of this thesis is to write the programs for calculating the atom density profile and the RDF from the generated MD trajectories. The atomic probability density profile shows that water is strongly adsorbed on the (001) cristobalite surface, while the RDF indicates differently ad- sorbed water molecules in the first adsorption layer. As final remark, the protocol and the tools developed in this thesis can be applied to the study of basically any crystal-water interface.

Dynamic properties of a dirt and a synthetic equine racetrack surface measured by a track-testing device.

Science.gov (United States)

Setterbo, J J; Fyhrie, P B; Hubbard, M; Upadhyaya, S K; Stover, S M

2013-01-01

Racetrack surface is a risk factor for Thoroughbred racehorse injury and death that can be engineered and managed. To investigate the relationship between surface and injury, the mechanical behaviour of dirt and synthetic track surfaces must be quantified. To compare dynamic properties of a dirt and a synthetic surface in situ using a track-testing device designed to simulate equine hoof impact; and to determine the effects of impact velocity, impact angle and repeated impact on dynamic surface behaviour. A track-testing device measured force and displacement during impact into a dirt and a synthetic surface at 3 impact velocities (1.91, 2.30, 2.63 m/s), 2 impact angles (0°, 20° from vertical), and 2 consecutive impacts (initial, repeat). Surfaces were measured at 3 locations/day for 3 days. The effects of surface type, impact velocity, impact angle and impact number on dynamic surface properties were assessed using analysis of variance. Synthetic surface maximum forces, load rates and stiffnesses were 37-67% of dirt surface values. Surfaces were less stiff with lower impact velocities, angled impacts and initial impacts. The magnitude of differences between dirt and synthetic surfaces increased for repeat impacts and higher impact velocities. The synthetic surface was generally softer than the dirt surface. Greatly increased hardness for repeat impacts corroborates the importance of maintenance. Results at different impact velocities suggest that surface differences will persist at higher impact velocities. For both surfaces it is clearly important to prevent horse exposure to precompacted surfaces, particularly during high-speed training when the surface has already been trampled. These data should be useful in coordinating racetrack surface management with racehorse training to prevent injuries. © 2012 EVJ Ltd.

THE INFLUENCE OF AEROSOL GAS-DYNAMIC SUSPENSION CLEANING ON SURFACE OF THE AIRCRAFT PARTS

Directory of Open Access Journals (Sweden)

Vitaly D. Hizhko

2008-02-01

Full Text Available  The specificity of the surface microgeometry formation under the influence of aerosol gas-dynamic suspension flow was considered. The composition and character of metallic surface layer formation of aircraft parts was investigated. The possibility of surface material composition and properties adjustment changing aerosol gas-dynamic suspension flow parameters was determined. The hypothesis about the possibility of using aerosol gas-dynamic suspension flow to form corrosion-resistant coating on the detail metallic surfaces was set up.

Effect of surface modification and hybridization on dynamic ...

Indian Academy of Sciences (India)

Epoxy; Roystonea regia; glass; surface modification; hybridization; dynamic mechanical ... other advantages such as light weight, low cost, high specific ... ful technique to study the mechanical behaviour of mate- ... The test reveals response.

Observation of dynamic water microadsorption on Au surface

Energy Technology Data Exchange (ETDEWEB)

Huang, Xiaokang, E-mail: xiaokang.huang@tqs.com; Gupta, Gaurav; Gao, Weixiang; Tran, Van; Nguyen, Bang; McCormick, Eric; Cui, Yongjie; Yang, Yinbao; Hall, Craig; Isom, Harold [TriQuint Semiconductor, Inc., 500 W Renner Road, Richardson, Texas 75080 (United States)

2014-05-15

Experimental and theoretical research on water wettability, adsorption, and condensation on solid surfaces has been ongoing for many decades because of the availability of new materials, new detection and measurement techniques, novel applications, and different scales of dimensions. Au is a metal of special interest because it is chemically inert, has a high surface energy, is highly conductive, and has a relatively high melting point. It has wide applications in semiconductor integrated circuitry, microelectromechanical systems, microfluidics, biochips, jewelry, coinage, and even dental restoration. Therefore, its surface condition, wettability, wear resistance, lubrication, and friction attract a lot of attention from both scientists and engineers. In this paper, the authors experimentally investigated Au{sub 2}O{sub 3} growth, wettability, roughness, and adsorption utilizing atomic force microscopy, scanning electron microscopy, reflectance spectrometry, and contact angle measurement. Samples were made using a GaAs substrate. Utilizing a super-hydrophilic Au surface and the proper surface conditions of the surrounding GaAs, dynamic microadsorption of water on the Au surface was observed in a clean room environment. The Au surface area can be as small as 12 μm{sup 2}. The adsorbed water was collected by the GaAs groove structure and then redistributed around the structure. A model was developed to qualitatively describe the dynamic microadsorption process. The effective adsorption rate was estimated by modeling and experimental data. Devices for moisture collection and a liquid channel can be made by properly arranging the wettabilities or contact angles of different materials. These novel devices will be very useful in microfluid applications or biochips.

Synoptic-scale analysis of mechanisms driving surface chlorophyll dynamics in the North Atlantic

Directory of Open Access Journals (Sweden)

A. S. A. Ferreira

2015-06-01

Full Text Available Several hypotheses have been proposed for the onset of the spring phytoplankton bloom in the North Atlantic. Our main objective is to examine which bottom-up processes can best predict the annual increase in surface phytoplankton concentration in the North Atlantic by applying novel phenology algorithms to ocean colour data. We construct indicator fields and time series which, in various combinations, provide models consistent with the principle dynamics previously proposed. Using a multimodel inference approach, we investigate the evidence supporting these models and how it varies in space. We show that, in terms of bottom-up processes alone, there is a dominant physical mechanism, namely mixed-layer shoaling, that best predicts the interannual variation in the initial increase in surface chlorophyll across large sectors of the North Atlantic. We further show that different regions are governed by different physical phenomena and that wind-driven mixing is a common component, with either heat flux or light as triggers. We believe these findings to be relevant to the ongoing discussion on North Atlantic bloom onset.

The hydrophobic effect: Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces

DEFF Research Database (Denmark)

Jensen, Morten Østergaard; Mouritsen, Ole G.; Peters, Günther H.J.

2004-01-01

Structural and dynamic properties of water confined between two parallel, extended, either hydrophobic or hydrophilic crystalline surfaces of n-alkane C36H74 or n-alcohol C35H71OH, are studied by molecular dynamics simulations. Electron density profiles, directly compared with corresponding......-correlation functions reveal that water molecules have characteristic diffusive behavior and orientational ordering due to the lack of hydrogen bonding interactions with the surface. These observations suggest that the altered dynamical properties of water in contact with extended hydrophobic surfaces together...... at both surfaces. The ordering is characteristically different between the surfaces and of longer range at the hydrophilic surface. Furthermore, the dynamic properties of water are different at the two surfaces and different from the bulk behavior. In particular, at the hydrophobic surface, time...

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

Science.gov (United States)

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

2018-01-01

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

Effect of water table dynamics on land surface hydrologic memory

Science.gov (United States)

Lo, Min-Hui; Famiglietti, James S.

2010-11-01

The representation of groundwater dynamics in land surface models has received considerable attention in recent years. Most studies have found that soil moisture increases after adding a groundwater component because of the additional supply of water to the root zone. However, the effect of groundwater on land surface hydrologic memory (persistence) has not been explored thoroughly. In this study we investigate the effect of water table dynamics on National Center for Atmospheric Research Community Land Model hydrologic simulations in terms of land surface hydrologic memory. Unlike soil water or evapotranspiration, results show that land surface hydrologic memory does not always increase after adding a groundwater component. In regions where the water table level is intermediate, land surface hydrologic memory can even decrease, which occurs when soil moisture and capillary rise from groundwater are not in phase with each other. Further, we explore the hypothesis that in addition to atmospheric forcing, groundwater variations may also play an important role in affecting land surface hydrologic memory. Analyses show that feedbacks of groundwater on land surface hydrologic memory can be positive, negative, or neutral, depending on water table dynamics. In regions where the water table is shallow, the damping process of soil moisture variations by groundwater is not significant, and soil moisture variations are mostly controlled by random noise from atmospheric forcing. In contrast, in regions where the water table is very deep, capillary fluxes from groundwater are small, having limited potential to affect soil moisture variations. Therefore, a positive feedback of groundwater to land surface hydrologic memory is observed in a transition zone between deep and shallow water tables, where capillary fluxes act as a buffer by reducing high-frequency soil moisture variations resulting in longer land surface hydrologic memory.

DYNAMIC SURFACE BOUNDARY-CONDITIONS - A SIMPLE BOUNDARY MODEL FOR MOLECULAR-DYNAMICS SIMULATIONS

NARCIS (Netherlands)

JUFFER, AH; BERENDSEN, HJC

1993-01-01

A simple model for the treatment of boundaries in molecular dynamics simulations is presented. The method involves the positioning of boundary atoms on a surface that surrounds a system of interest. The boundary atoms interact with the inner region and represent the effect of atoms outside the

The dynamic deformation of a layered viscoelastic medium under surface excitation

International Nuclear Information System (INIS)

Aglyamov, Salavat R; Karpiouk, Andrei B; Emelianov, Stanislav Y; Wang, Shang; Li, Jiasong; Larin, Kirill V; Twa, Michael

2015-01-01

In this study the dynamic behavior of a layered viscoelastic medium in response to the harmonic and impulsive acoustic radiation force applied to its surface was investigated both theoretically and experimentally. An analytical solution for a layered viscoelastic compressible medium in frequency and time domains was obtained using the Hankel transform. A special incompressible case was considered to model soft biological tissues. To verify our theoretical model, experiments were performed using tissue-like gel-based phantoms with varying mechanical properties. A 3.5 MHz single-element focused ultrasound transducer was used to apply the radiation force at the surface of the phantoms. A phase-sensitive optical coherence tomography system was used to track the displacements of the phantom surface. Theoretically predicted displacements were compared with experimental measurements. The role of the depth dependence of the elastic properties of a medium in its response to an acoustic pulse at the surface was studied. It was shown that the low-frequency vibrations at the surface are more sensitive to the deep layers than high-frequency ones. Therefore, the proposed model in combination with spectral analysis can be used to evaluate depth-dependent distribution of the mechanical properties based on the measurements of the surface deformation. (paper)

Mapping Carrier Dynamics on Material Surfaces in Space and Time using Scanning Ultrafast Electron Microscopy

KAUST Repository

Sun, Jingya; Adhikari, Aniruddha; Shaheen, Basamat; Yang, Haoze; Mohammed, Omar F.

2016-01-01

Selectively capturing the ultrafast dynamics of charge carriers on materials surfaces and at interfaces is crucial to the design of solar cells and optoelectronic devices. Despite extensive research efforts over the past few decades, information and understanding about surface-dynamical processes, including carrier trapping and recombination remains extremely limited. A key challenge is to selectively map such dynamic processes, a capability that is hitherto impractical by time-resolved laser techniques, which are limited by the laser’s relatively large penetration depth and consequently they record mainly bulk information. Such surface dynamics can only be mapped in real space and time by applying four-dimensional (4D) scanning ultrafast electron microscopy (S-UEM), which records snapshots of materials surfaces with nanometer spatial and sub-picosecond temporal resolutions. In this method, the secondary electron (SE) signal emitted from the sample’s surface is extremely sensitive to the surface dynamics and is detected in real time. In several unique applications, we spatially and temporally visualize the SE energy gain and loss, the charge carrier dynamics on the surface of InGaN nanowires and CdSe single crystals and its powder film. We also provide the mechanisms for the observed dynamics, which will be the foundation for future potential applications of S-UEM to a wide range of studies on material surfaces and device interfaces.

Mapping Carrier Dynamics on Material Surfaces in Space and Time using Scanning Ultrafast Electron Microscopy

KAUST Repository

Sun, Jingya

2016-02-25

Selectively capturing the ultrafast dynamics of charge carriers on materials surfaces and at interfaces is crucial to the design of solar cells and optoelectronic devices. Despite extensive research efforts over the past few decades, information and understanding about surface-dynamical processes, including carrier trapping and recombination remains extremely limited. A key challenge is to selectively map such dynamic processes, a capability that is hitherto impractical by time-resolved laser techniques, which are limited by the laser’s relatively large penetration depth and consequently they record mainly bulk information. Such surface dynamics can only be mapped in real space and time by applying four-dimensional (4D) scanning ultrafast electron microscopy (S-UEM), which records snapshots of materials surfaces with nanometer spatial and sub-picosecond temporal resolutions. In this method, the secondary electron (SE) signal emitted from the sample’s surface is extremely sensitive to the surface dynamics and is detected in real time. In several unique applications, we spatially and temporally visualize the SE energy gain and loss, the charge carrier dynamics on the surface of InGaN nanowires and CdSe single crystals and its powder film. We also provide the mechanisms for the observed dynamics, which will be the foundation for future potential applications of S-UEM to a wide range of studies on material surfaces and device interfaces.

Dynamic modeling method of the bolted joint with uneven distribution of joint surface pressure

Science.gov (United States)

Li, Shichao; Gao, Hongli; Liu, Qi; Liu, Bokai

2018-03-01

The dynamic characteristics of the bolted joints have a significant influence on the dynamic characteristics of the machine tool. Therefore, establishing a reasonable bolted joint dynamics model is helpful to improve the accuracy of machine tool dynamics model. Because the pressure distribution on the joint surface is uneven under the concentrated force of bolts, a dynamic modeling method based on the uneven pressure distribution of the joint surface is presented in this paper to improve the dynamic modeling accuracy of the machine tool. The analytic formulas between the normal, tangential stiffness per unit area and the surface pressure on the joint surface can be deduced based on the Hertz contact theory, and the pressure distribution on the joint surface can be obtained by the finite element software. Futhermore, the normal and tangential stiffness distribution on the joint surface can be obtained by the analytic formula and the pressure distribution on the joint surface, and assigning it into the finite element model of the joint. Qualitatively compared the theoretical mode shapes and the experimental mode shapes, as well as quantitatively compared the theoretical modal frequencies and the experimental modal frequencies. The comparison results show that the relative error between the first four-order theoretical modal frequencies and the first four-order experimental modal frequencies is 0.2% to 4.2%. Besides, the first four-order theoretical mode shapes and the first four-order experimental mode shapes are similar and one-to-one correspondence. Therefore, the validity of the theoretical model is verified. The dynamic modeling method proposed in this paper can provide a theoretical basis for the accurate dynamic modeling of the bolted joint in machine tools.

He atom surface scattering: Surface dynamics of insulators, overlayers and crystal growth

International Nuclear Information System (INIS)

1992-01-01

Investigations have focused primarily on surface structure and dynamics of ionic insulators, epitaxial growth onto alkali halide crystals and multiphoton studies. The surface dynamics of RbCl has been re-examined. We have developed a simple force constant model which provides insight into the dynamics of KBr overlayers on NaCl(001), a system with a large lattice mismatch. The KBr/NaCl(001) results are compared to Na/Cu(001) and NaCl/Ge(001). We have completed epitaxial growth experiments for KBr onto RbCl(001). Slab dynamics calculations using a shell model for this system with very small lattice mismatch are being carried out in collaboration with Professor Manson of Clemson University and with Professor Schroeder in Regensburg, Germany. Extensive experiments on multiphoton scattering of helium atoms onto NaCl and, particularly, LiF have been carried out and the theory has been developed to a rather advanced stage by Professor Manson. This work will permit the extraction of more information from time-of-flight spectra. It is shown that the theoretical model provides a very good description of the multiphoton scattering from organic films. Work has started on self-assembling organic films on gold (alkyl thiols/Au(111)). We have begun to prepare and characterize the gold crystal; one of the group members has spent two weeks at the Oak Ridge National Laboratory learning the proper Au(111) preparation techniques. One of our students has carried out neutron scattering experiments on NiO, measuring both bulk phonon and magnon dispersion curves

Molecular dynamics simulation of annealed ZnO surfaces

Energy Technology Data Exchange (ETDEWEB)

Min, Tjun Kit; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

2015-04-24

The effect of thermally annealing a slab of wurtzite ZnO, terminated by two surfaces, (0001) (which is oxygen-terminated) and (0001{sup ¯}) (which is Zn-terminated), is investigated via molecular dynamics simulation by using reactive force field (ReaxFF). We found that upon heating beyond a threshold temperature of ∼700 K, surface oxygen atoms begin to sublimate from the (0001) surface. The ratio of oxygen leaving the surface at a given temperature increases as the heating temperature increases. A range of phenomena occurring at the atomic level on the (0001) surface has also been explored, such as formation of oxygen dimers on the surface and evolution of partial charge distribution in the slab during the annealing process. It was found that the partial charge distribution as a function of the depth from the surface undergoes a qualitative change when the annealing temperature is above the threshold temperature.

Ultrafast relaxation dynamics of a biologically relevant probe dansyl at the micellar surface.

Science.gov (United States)

Sarkar, Rupa; Ghosh, Manoranjan; Pal, Samir Kumar

2005-02-01

We report picosecond-resolved measurement of the fluorescence of a well-known biologically relevant probe, dansyl chromophore at the surface of a cationic micelle (cetyltrimethylammonium bromide, CTAB). The dansyl chromophore has environmentally sensitive fluorescence quantum yields and emission maxima, along with large Stokes shift. In order to study the solvation dynamics of the micellar environment, we measured the fluorescence of dansyl chromophore attached to the micellar surface. The fluorescence transients were observed to decay (with time constant approximately 350 ps) in the blue end and rise with similar timescale in the red end, indicative of solvation dynamics of the environment. The solvation correlation function is measured to decay with time constant 338 ps, which is much slower than that of ordinary bulk water. Time-resolved anisotropy of the dansyl chromophore shows a bi-exponential decay with time constants 413 ps (23%) and 1.3 ns (77%), which is considerably slower than that in free solvents revealing the rigidity of the dansyl-micelle complex. Time-resolved area-normalized emission spectroscopic (TRANES) analysis of the time dependent emission spectra of the dansyl chromophore in the micellar environment shows an isoemissive point at 21066 cm-1. This indicates the fluorescence of the chromophore contains emission from two kinds of excited states namely locally excited state (prior to charge transfer) and charge transfer state. The nature of the solvation dynamics in the micellar environments is therefore explored from the time-resolved anisotropy measurement coupled with the TRANES analysis of the fluorescence transients. The time scale of the solvation is important for the mechanism of molecular recognition.

Can foot anthropometric measurements predict dynamic plantar surface contact area?

Directory of Open Access Journals (Sweden)

Collins Natalie

2009-10-01

Full Text Available Abstract Background Previous studies have suggested that increased plantar surface area, associated with pes planus, is a risk factor for the development of lower extremity overuse injuries. The intent of this study was to determine if a single or combination of foot anthropometric measures could be used to predict plantar surface area. Methods Six foot measurements were collected on 155 subjects (97 females, 58 males, mean age 24.5 ± 3.5 years. The measurements as well as one ratio were entered into a stepwise regression analysis to determine the optimal set of measurements associated with total plantar contact area either including or excluding the toe region. The predicted values were used to calculate plantar surface area and were compared to the actual values obtained dynamically using a pressure sensor platform. Results A three variable model was found to describe the relationship between the foot measures/ratio and total plantar contact area (R2 = 0.77, p R2 = 0.76, p Conclusion The results of this study indicate that the clinician can use a combination of simple, reliable, and time efficient foot anthropometric measurements to explain over 75% of the plantar surface contact area, either including or excluding the toe region.

Biofilm attachment reduction on bioinspired, dynamic, micro-wrinkling surfaces

International Nuclear Information System (INIS)

Epstein, Alexander K; Hong, Donggyoon; Kim, Philseok; Aizenberg, Joanna

2013-01-01

Most bacteria live in multicellular communities known as biofilms that are adherent to surfaces in our environment, from sea beds to plumbing systems. Biofilms are often associated with clinical infections, nosocomial deaths and industrial damage such as bio-corrosion and clogging of pipes. As mature biofilms are extremely challenging to eradicate once formed, prevention is advantageous over treatment. However, conventional surface chemistry strategies are either generally transient, due to chemical masking, or toxic, as in the case of leaching marine antifouling paints. Inspired by the nonfouling skins of echinoderms and other marine organisms, which possess highly dynamic surface structures that mechanically frustrate bio-attachment, we have developed and tested a synthetic platform based on both uniaxial mechanical strain and buckling-induced elastomer microtopography. Bacterial biofilm attachment to the dynamic substrates was studied under an array of parameters, including strain amplitude and timescale (1–100 mm s −1 ), surface wrinkle length scale, bacterial species and cell geometry, and growth time. The optimal conditions for achieving up to ∼ 80% Pseudomonas aeruginosa biofilm reduction after 24 h growth and ∼ 60% reduction after 48 h were combinatorially elucidated to occur at 20% strain amplitude, a timescale of less than ∼ 5 min between strain cycles and a topography length scale corresponding to the cell dimension of ∼ 1 μm. Divergent effects on the attachment of P. aeruginosa, Staphylococcus aureus and Escherichia coli biofilms showed that the dynamic substrate also provides a new means of species-specific biofilm inhibition, or inversely, selection for a desired type of bacteria, without reliance on any toxic or transient surface chemical treatments. (paper)

Biofilm attachment reduction on bioinspired, dynamic, micro-wrinkling surfaces

Science.gov (United States)

Epstein, Alexander K.; Hong, Donggyoon; Kim, Philseok; Aizenberg, Joanna

2013-09-01

Most bacteria live in multicellular communities known as biofilms that are adherent to surfaces in our environment, from sea beds to plumbing systems. Biofilms are often associated with clinical infections, nosocomial deaths and industrial damage such as bio-corrosion and clogging of pipes. As mature biofilms are extremely challenging to eradicate once formed, prevention is advantageous over treatment. However, conventional surface chemistry strategies are either generally transient, due to chemical masking, or toxic, as in the case of leaching marine antifouling paints. Inspired by the nonfouling skins of echinoderms and other marine organisms, which possess highly dynamic surface structures that mechanically frustrate bio-attachment, we have developed and tested a synthetic platform based on both uniaxial mechanical strain and buckling-induced elastomer microtopography. Bacterial biofilm attachment to the dynamic substrates was studied under an array of parameters, including strain amplitude and timescale (1-100 mm s-1), surface wrinkle length scale, bacterial species and cell geometry, and growth time. The optimal conditions for achieving up to ˜ 80% Pseudomonas aeruginosa biofilm reduction after 24 h growth and ˜ 60% reduction after 48 h were combinatorially elucidated to occur at 20% strain amplitude, a timescale of less than ˜ 5 min between strain cycles and a topography length scale corresponding to the cell dimension of ˜ 1 μm. Divergent effects on the attachment of P. aeruginosa, Staphylococcus aureus and Escherichia coli biofilms showed that the dynamic substrate also provides a new means of species-specific biofilm inhibition, or inversely, selection for a desired type of bacteria, without reliance on any toxic or transient surface chemical treatments.

Decay of surface nanostructures via long-time-scale dynamics

International Nuclear Information System (INIS)

Voter, A.F.; Stanciu, N.

1998-01-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The authors have developed a new approach for extending the time scale of molecular dynamics simulations. For infrequent-event systems, the category that includes most diffusive events in the solid phase, this hyperdynamics method can extend the simulation time by a few orders of magnitude compared to direct molecular dynamics. The trajectory is run on a potential surface that has been biased to raise the energy in the potential basins without affecting the transition state region. The method is described and applied to surface and bulk diffusion processes, achieving microsecond and millisecond simulation times. The authors have also developed a new parallel computing method that is efficient for small system sizes. The combination of the hyperdynamics with this parallel replica dynamics looks promising as a general materials simulation tool

Simulation of Missing Pellet Surface thermal behavior with 3D dynamic gap element

International Nuclear Information System (INIS)

Kim, Hyo Chan; Yang, Yong Sik; Koo, Yang Hyun; Kang, Chang Hak; Lee Sung Uk; Yang, Dong Yol

2014-01-01

Most of the fuel performance codes that are able to simulate a multidimensional analysis are used to calculate the radial temperature distribution and perform a multidimensional mechanical analysis based on a one-dimensional (1D) temperature result. The FRAPCON-FRAPTRAN code system incorporates a 1D thermal module and two-dimensional (2D) mechanical module when FEM option is activated. In this method, the multidimensional gap conductance model is not required because one-dimensional thermal analysis is carried out. On the other hand, a gap conductance model for a multi-dimension should be developed in the code to perform a multidimensional thermal analysis. ALCYONE developed by CEA introduces an equivalent heat convection coefficient that represents the multidimensional gap conductance. However, the code does not employ dynamic gap conductance which is a function of gap thickness and gap characteristics in direct. The BISON code, which has been developed by INL (Idaho National Laboratory), employed a thermo-mechanical contact method that is specifically designed for tightly-coupled implicit solutions that employ Jacobian-free solution methods. Owing to tightly-coupled implicit solutions, the BISON code solves gap conductance and gap thickness simultaneously with given boundary conditions. In this paper, 3D dynamic gap element has been proposed to resolve convergence issue and nonlinear characteristic of multidimensional gap conductance. To evaluate 3D dynamic gap element module, 3D thermomechanical module using FORTRAN77 has been implemented incorporating 3D dynamic gap element. To demonstrate effect of 3D dynamic gap element, thermal behavior of missing pellet surface (MPS) has been simulated by the developed module. LWR fuel performance codes should incorporate thermo-mechanical loop to solve gap conductance problem, iteratively. However, gap conductance in multidimensional model is difficult issue owing to its nonlinearity and convergence characteristics. In

Static/dynamic fluid-structure interaction analysis for 3-D rotary blade model

International Nuclear Information System (INIS)

Kim, Dong Hyun; Kim, Yu Sung; Kim, Dong Man; Park, Kang Kyun

2009-01-01

In this study, static/dynamic fluid-structure interaction analyses have been conducted for a 3D rotary blade model like a turbo-machinery or wind turbine blade. Advanced computational analysis system based on Computational Fluid Dynamics (CFD) and Computational Structural Dynamics (CSD) has been developed in order to investigate detailed dynamic responses of rotary type models. Fluid domains are modeled using the computational grid system with local grid deforming techniques. Reynolds-averaged Navier-Stokes equations with various turbulence model are solved for unsteady flow problems of the rotating blade model. Detailed static/dynamic responses and instantaneous pressure contours on the blade surfaces considering flow-separation effects are presented to show the multi-physical phenomenon of the rotating blades.

Non-equilibrium dynamics of single polymer adsorption to solid surfaces

NARCIS (Netherlands)

Panja, D.; Barkema, G.T.; Kolomeisky, A.B.

2009-01-01

The adsorption of polymers to surfaces is crucial for understanding many fundamental processes in nature. Recent experimental studies indicate that the adsorption dynamics is dominated by non-equilibrium effects. We investigate the adsorption of a single polymer of length N to a planar solid surface

New sensitive micro-measurements of dynamic surface tension and diffusion coefficients

DEFF Research Database (Denmark)

Kinoshita, Koji; Ortiz, Elisa Parra; Needham, David

2017-01-01

Currently available dynamic surface tension (DST) measurement methods, such as Wilhelmy plate, droplet- or bubble-based methods, still have various experimental limitations such as the large size of the interface, convection in the solution, or a certain “dead time” at initial measurement....... These limitations create inconsistencies for the kinetic analysis of surfactant adsorption/desorption, especially significant for ionic surfactants. Here, the “micropipette interfacial area-expansion method” was introduced and validated as a new DST measurement having a high enough sensitivity to detect diffusion...... for surface excess concentration. We found that the measured diffusion coefficient of 1-Octanol, 7.2 ± 0.8 × 10−6 cm2/s, showed excellent agreement with the result from an alternative method, “single microdroplet catching method”, to measure the diffusion coefficient from diffusion-controlled microdroplet...

Surface dynamics in allosteric regulation of protein-protein interactions: modulation of calmodulin functions by Ca2+.

Directory of Open Access Journals (Sweden)

Yosef Y Kuttner

2013-04-01

Full Text Available Knowledge of the structural basis of protein-protein interactions (PPI is of fundamental importance for understanding the organization and functioning of biological networks and advancing the design of therapeutics which target PPI. Allosteric modulators play an important role in regulating such interactions by binding at site(s orthogonal to the complex interface and altering the protein's propensity for complex formation. In this work, we apply an approach recently developed by us for analyzing protein surfaces based on steered molecular dynamics simulation (SMD to the study of the dynamic properties of functionally distinct conformations of a model protein, calmodulin (CaM, whose ability to interact with target proteins is regulated by the presence of the allosteric modulator Ca(2+. Calmodulin is a regulatory protein that acts as an intracellular Ca(2+ sensor to control a wide variety of cellular processes. We demonstrate that SMD analysis is capable of pinpointing CaM surfaces implicated in the recognition of both the allosteric modulator Ca(2+ and target proteins. Our analysis of changes in the dynamic properties of the CaM backbone elicited by Ca(2+ binding yielded new insights into the molecular mechanism of allosteric regulation of CaM-target interactions.

Analysis of dynamic meshing characteristic of planetary gear transmission in wind power increasing gearbox

Directory of Open Access Journals (Sweden)

Wang Jungang

2017-01-01

Full Text Available Dynamic behavior of planetary gear’s tooth contact surface in the different location can better conform operation condition comparing to the general gear pair. Nonlinear finite element algorithm was derived according to the basic control equation of contact dynamics. A finite element model of planetary gear transmission in wind power increasing gearbox was proposed considering different meshing locations based on nonlinear finite element solution. The characteristics of stress distribution at different meshing positions were analyzed. A simulation of the meshing process was conducted using finite element analysis. It was shown that node stresses of external meshing planetary gear varied significantly at different position. The analysis provides some useful insights into the performance of planetary gear’s tooth contact surface.

Dynamic bioactive stimuli-responsive polymeric surfaces

Science.gov (United States)

Pearson, Heather Marie

This dissertation focuses on the design, synthesis, and development of antimicrobial and anticoagulant surfaces of polyethylene (PE), polypropylene (PP), and poly(tetrafluoroethylene) (PTFE) polymers. Aliphatic polymeric surfaces of PE and PP polymers functionalized using click chemistry reactions by the attachment of --COOH groups via microwave plasma reactions followed by functionalization with alkyne moieties. Azide containing ampicillin (AMP) was synthesized and subsequently clicked into the alkyne prepared PE and PP surfaces. Compared to non-functionalized PP and PE surfaces, the AMP clicked surfaces exhibited substantially enhanced antimicrobial activity against Staphylococcus aureus bacteria. To expand the biocompatibility of polymeric surface anticoagulant attributes, PE and PTFE surfaces were functionalized with pH-responsive poly(2-vinyl pyridine) (P2VP) and poly(acrylic acid) (PAA) polyelectrolyte tethers terminated with NH2 and COOH groups. The goal of these studies was to develop switchable stimuli-responsive polymeric surfaces that interact with biological environments and display simultaneous antimicrobial and anticoagulant properties. Antimicrobial AMP was covalently attached to --COOH terminal ends of protected PAA, while anticoagulant heparin (HEP) was attached to terminal --NH2 groups of P2VP. When pH 5.5, they collapse while the PAA segments extend. Such surfaces, when exposed to Staphylococcus aureus, inhibit bacterial growth due to the presence of AMP, as well as are effective anticoagulants due to the presence of covalently attached HEP. Comparison of these "dynamic" pH responsive surfaces with "static" surfaces terminated with AMP entities show significant enhancement of longevity and surface activity against microbial film formation. The last portion of this dissertation focuses on the covalent attachment of living T1 and Φ11 bacteriophages (phages) on PE and PTFE surface. This was accomplished by carbodiimide coupling between --COOH

Dynamics of gas-surface interactions atomic-level understanding of scattering processes at surfaces

CERN Document Server

Díez Muniño, Ricardo

2013-01-01

This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level u...

An efficient approach to the analysis of rail surface irregularities accounting for dynamic train-track interaction and inelastic deformations

Science.gov (United States)

Andersson, Robin; Torstensson, Peter T.; Kabo, Elena; Larsson, Fredrik

2015-11-01

A two-dimensional computational model for assessment of rolling contact fatigue induced by discrete rail surface irregularities, especially in the context of so-called squats, is presented. Dynamic excitation in a wide frequency range is considered in computationally efficient time-domain simulations of high-frequency dynamic vehicle-track interaction accounting for transient non-Hertzian wheel-rail contact. Results from dynamic simulations are mapped onto a finite element model to resolve the cyclic, elastoplastic stress response in the rail. Ratcheting under multiple wheel passages is quantified. In addition, low cycle fatigue impact is quantified using the Jiang-Sehitoglu fatigue parameter. The functionality of the model is demonstrated by numerical examples.

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

Directory of Open Access Journals (Sweden)

Peiyuan Sun

2018-01-01

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

Analysis of leaf surfaces using scanning ion conductance microscopy.

Science.gov (United States)

Walker, Shaun C; Allen, Stephanie; Bell, Gordon; Roberts, Clive J

2015-05-01

Leaf surfaces are highly complex functional systems with well defined chemistry and structure dictating the barrier and transport properties of the leaf cuticle. It is a significant imaging challenge to analyse the very thin and often complex wax-like leaf cuticle morphology in their natural state. Scanning electron microscopy (SEM) and to a lesser extent Atomic force microscopy are techniques that have been used to study the leaf surface but their remains information that is difficult to obtain via these approaches. SEM is able to produce highly detailed and high-resolution images needed to study leaf structures at the submicron level. It typically operates in a vacuum or low pressure environment and as a consequence is generally unable to deal with the in situ analysis of dynamic surface events at submicron scales. Atomic force microscopy also possess the high-resolution imaging required and can follow dynamic events in ambient and liquid environments, but can over exaggerate small features and cannot image most leaf surfaces due to their inherent roughness at the micron scale. Scanning ion conductance microscopy (SICM), which operates in a liquid environment, provides a potential complementary analytical approach able to address these issues and which is yet to be explored for studying leaf surfaces. Here we illustrate the potential of SICM on various leaf surfaces and compare the data to SEM and atomic force microscopy images on the same samples. In achieving successful imaging we also show that SICM can be used to study the wetting of hydrophobic surfaces in situ. This has potentially wider implications than the study of leaves alone as surface wetting phenomena are important in a range of fundamental and applied studies. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

Dynamic analysis program for frame structure

International Nuclear Information System (INIS)

Ando, Kozo; Chiba, Toshio

1975-01-01

A general purpose computer program named ISTRAN/FD (Isub(HI) STRucture ANalysis/Frame structure, Dynamic analysis) has been developed for dynamic analysis of three-dimensional frame structures. This program has functions of free vibration analysis, seismic response analysis, graphic display by plotter and CRT, etc. This paper introduces ISTRAN/FD; examples of its application are shown with various problems : idealization of the cantilever, dynamic analysis of the main tower of the suspension bridge, three-dimensional vibration in the plate girder bridge, seismic response in the boiler steel structure, and dynamic properties of the underground LNG tank. In this last example, solid elements, in addition to beam elements, are especially used for the analysis. (auth.)

Probing Ultrafast Electron Dynamics at Surfaces Using Soft X-Ray Transient Reflectivity Spectroscopy

Science.gov (United States)

Baker, L. Robert; Husek, Jakub; Biswas, Somnath; Cirri, Anthony

The ability to probe electron dynamics with surface sensitivity on the ultrafast time scale is critical for understanding processes such as charge separation, injection, and surface trapping that mediate efficiency in catalytic and energy conversion materials. Toward this goal, we have developed a high harmonic generation (HHG) light source for femtosecond soft x-ray reflectivity. Using this light source we investigated the ultrafast carrier dynamics at the surface of single crystalline α-Fe2O3, polycrystalline α-Fe2O3, and the mixed metal oxide, CuFeO2. We have recently demonstrated that CuFeO2 in particular is a selective catalyst for photo-electrochemical CO2 reduction to acetate; however, the role of electronic structure and charge carrier dynamics in mediating catalytic selectivity has not been well understood. Soft x-ray reflectivity measurements probe the M2,3, edges of the 3d transition metals, which provide oxidation and spin state resolution with element specificity. In addition to chemical state specificity, these measurements are also surface sensitive, and by independently simulating the contributions of the real and imaginary components of the complex refractive index, we can differentiate between surface and sub-surface contributions to the excited state spectrum. Accordingly, this work demonstrates the ability to probe ultrafast carrier dynamics in catalytic materials with element and chemical state specificity and with surface sensitivity.

Dynamically triangulated surfaces - some analytical results

International Nuclear Information System (INIS)

Kostov, I.K.

1987-01-01

We give a brief review of the analytical results concerning the model of dynamically triangulated surfaces. We will discuss the possible types of critical behaviour (depending on the dimension D of the embedding space) and the exact solutions obtained for D=0 and D=-2. The latter are important as a check of the Monte Carlo simulations applyed to study the model in more physical dimensions. They give also some general insight of its critical properties

Formal analysis of design process dynamics

NARCIS (Netherlands)

Bosse, T.; Jonker, C.M.; Treur, J.

2010-01-01

This paper presents a formal analysis of design process dynamics. Such a formal analysis is a prerequisite to come to a formal theory of design and for the development of automated support for the dynamics of design processes. The analysis was geared toward the identification of dynamic design

Formal Analysis of Design Process Dynamics

NARCIS (Netherlands)

Bosse, T.; Jonker, C.M.; Treur, J.

2010-01-01

This paper presents a formal analysis of design process dynamics. Such a formal analysis is a prerequisite to come to a formal theory of design and for the development of automated support for the dynamics of design processes. The analysis was geared toward the identification of dynamic design

Computer-based image analysis in radiological diagnostics and image-guided therapy: 3D-Reconstruction, contrast medium dynamics, surface analysis, radiation therapy and multi-modal image fusion

International Nuclear Information System (INIS)

Beier, J.

2001-01-01

This book deals with substantial subjects of postprocessing and analysis of radiological image data, a particular emphasis was put on pulmonary themes. For a multitude of purposes the developed methods and procedures can directly be transferred to other non-pulmonary applications. The work presented here is structured in 14 chapters, each describing a selected complex of research. The chapter order reflects the sequence of the processing steps starting from artefact reduction, segmentation, visualization, analysis, therapy planning and image fusion up to multimedia archiving. In particular, this includes virtual endoscopy with three different scene viewers (Chap. 6), visualizations of the lung disease bronchiectasis (Chap. 7), surface structure analysis of pulmonary tumors (Chap. 8), quantification of contrast medium dynamics from temporal 2D and 3D image sequences (Chap. 9) as well as multimodality image fusion of arbitrary tomographical data using several visualization techniques (Chap. 12). Thus, the software systems presented cover the majority of image processing applications necessary in radiology and were entirely developed, implemented and validated in the clinical routine of a university medical school. (orig.) [de

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.

Reactive surface organometallic complexes observed using dynamic nuclear polarization surface enhanced NMR spectroscopy

KAUST Repository

Pump, Eva; Viger-Gravel, Jasmine; Abou-Hamad, Edy; Samantaray, Manoja; Hamzaoui, Bilel; Gurinov, Andrei; Anjum, Dalaver H.; Gajan, David; Lesage, Anne; Bendjeriou-Sedjerari, Anissa; Emsley, Lyndon; Basset, Jean-Marie

2016-01-01

Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy (DNP SENS) is an emerging technique that allows access to high-sensitivity NMR spectra from surfaces. However, DNP SENS usually requires the use of radicals as an exogenous source of polarization, which has so far limited applications for organometallic surface species to those that do not react with the radicals. Here we show that reactive surface species can be studied if they are immobilized inside porous materials with suitably small windows, and if bulky nitroxide bi-radicals (here TEKPol) are used as the polarization source and which cannot enter the pores. The method is demonstrated by obtaining significant DNP enhancements from highly reactive complelxes [(equivalent to Si-O-)W(Me)(5)] supported on MCM-41, and effects of pore size (6.0, 3.0 and 2.5 nm) on the performance are discussed.

Reactive surface organometallic complexes observed using dynamic nuclear polarization surface enhanced NMR spectroscopy

KAUST Repository

Pump, Eva

2016-08-15

Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy (DNP SENS) is an emerging technique that allows access to high-sensitivity NMR spectra from surfaces. However, DNP SENS usually requires the use of radicals as an exogenous source of polarization, which has so far limited applications for organometallic surface species to those that do not react with the radicals. Here we show that reactive surface species can be studied if they are immobilized inside porous materials with suitably small windows, and if bulky nitroxide bi-radicals (here TEKPol) are used as the polarization source and which cannot enter the pores. The method is demonstrated by obtaining significant DNP enhancements from highly reactive complelxes [(equivalent to Si-O-)W(Me)(5)] supported on MCM-41, and effects of pore size (6.0, 3.0 and 2.5 nm) on the performance are discussed.

Bayesian dynamic mediation analysis.

Science.gov (United States)

Huang, Jing; Yuan, Ying

2017-12-01

Most existing methods for mediation analysis assume that mediation is a stationary, time-invariant process, which overlooks the inherently dynamic nature of many human psychological processes and behavioral activities. In this article, we consider mediation as a dynamic process that continuously changes over time. We propose Bayesian multilevel time-varying coefficient models to describe and estimate such dynamic mediation effects. By taking the nonparametric penalized spline approach, the proposed method is flexible and able to accommodate any shape of the relationship between time and mediation effects. Simulation studies show that the proposed method works well and faithfully reflects the true nature of the mediation process. By modeling mediation effect nonparametrically as a continuous function of time, our method provides a valuable tool to help researchers obtain a more complete understanding of the dynamic nature of the mediation process underlying psychological and behavioral phenomena. We also briefly discuss an alternative approach of using dynamic autoregressive mediation model to estimate the dynamic mediation effect. The computer code is provided to implement the proposed Bayesian dynamic mediation analysis. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping

Science.gov (United States)

Lu, Jianfeng; Zhou, Zhennan

2018-02-01

To accelerate the thermal equilibrium sampling of multi-level quantum systems, the infinite swapping limit of a recently proposed multi-level ring polymer representation is investigated. In the infinite swapping limit, the ring polymer evolves according to an averaged Hamiltonian with respect to all possible surface index configurations of the ring polymer and thus connects the surface hopping approach to the mean-field path-integral molecular dynamics. A multiscale integrator for the infinite swapping limit is also proposed to enable efficient sampling based on the limiting dynamics. Numerical results demonstrate the huge improvement of sampling efficiency of the infinite swapping compared with the direct simulation of path-integral molecular dynamics with surface hopping.

Dynamic modeling of manipulation of micro/nanoparticles on rough surfaces

International Nuclear Information System (INIS)

Korayem, M.H.; Zakeri, M.

2011-01-01

In this paper, the dynamic behavior of spherical micro/nanoparticles, while being pushed on rough substrates, is studied by means of an Atomic Force Microscope (AFM). For this purpose, first, the contact adhesion force, and the areas and penetration depths of rough surfaces are derived based on the Johnson-Kendall-Roberts (JKR) theory, the Schwarz method, and the Rumpf/Rabinovich models. Then, the dynamic model of particle manipulation on rough substrates is revised using the specified contact theory for rough surfaces. And finally, the pushing of spherical particles with 50, 100, 200, 500, and 10000 nm radii is simulated. The results show that the critical force and the critical time of manipulation decrease when the particles are pushed on the rough surfaces as compared to the smooth ones. It is also observed that the critical force for a rough substrate containing asperities of low height and large radius approaches a comparable critical force magnitude to the smooth substrate, as is expected. Also, when the asperity radius in the substrate is within the range of 0.5 < r < 5 nm, the critical force of pushing decreases; however, as the asperity radius becomes larger than 5 nm, the critical force begins to increase again. Furthermore, the critical values are generally more sensitive to the changes of the asperity radius than the height. It is also found that the difference between the critical values based on the Rumpf and Rabinovich models is negligible. However, the estimation of particles' dynamic behavior using the Rumpf model could be wrong for the rough substrates with small radius asperities, which is considerable in the manipulation and assembly practices. Moreover, the dynamic behavior of particles of small radius (r < 500 nm) change during the pushing process on rough surfaces, and the rolling behavior could be possible on the surfaces that have small radius asperities. The probability of this occurrence is increased in the pushing of larger particles on

Analysis of the influence of tool dynamics in diamond turning

Energy Technology Data Exchange (ETDEWEB)

Fawcett, S.C.; Luttrell, D.E.; Keltie, R.F.

1988-12-01

This report describes the progress in defining the role of machine and interface dynamics on the surface finish in diamond turning. It contains a review of literature from conventional and diamond machining processes relating tool dynamics, material interactions and tool wear to surface finish. Data from experimental measurements of tool/work piece interface dynamics are presented as well as machine dynamics for the DTM at the Center.

The estimation of dynamic contact angle of ultra-hydrophobic surfaces using inclined surface and impinging droplet methods

Science.gov (United States)

Jasikova, Darina; Kotek, Michal

2014-03-01

The development of industrial technology also brings with optimized surface quality, particularly where there is contact with food. Application ultra-hydrophobic surface significantly reduces the growth of bacteria and facilitates cleaning processes. Testing and evaluation of surface quality are used two methods: impinging droplet and inclined surface method optimized with high speed shadowgraphy, which give information about dynamic contact angle. This article presents the results of research into new methods of measuring ultra-hydrophobic patented technology.

Multifractal scaling analysis of autopoisoning reactions over a rough surface

International Nuclear Information System (INIS)

Chaudhari, Ajay; Yan, Ching-Cher Sanders; Lee, S.-L.

2003-01-01

Decay type diffusion-limited reactions (DLR) over a rough surface generated by a random deposition model were performed. To study the effect of the decay profile on the reaction probability distribution (RPD), multifractal scaling analysis has been carried out. The dynamics of these autopoisoning reactions are controlled by the two parameters in the decay function, namely, the initial sticking probability (P ini ) of every site and the decay rate (m). The smaller the decay rate, the narrower is the range of α values in the α-f(α) multifractal spectrum. The results are compared with the earlier work of DLR over a surface of diffusion-limited aggregation (DLA). We also considered here the autopoisoning reactions over a smooth surface for comparing our results, which show clearly how the roughness affects the chemical reactions. The q-τ(q) multifractal curves for the smooth surface are linear whereas those for the rough surface are nonlinear. The range of α values in the case of a rough surface is wider than that of the smooth surface

Initial stages of Pt(111) electrooxidation: dynamic and structural studies by surface X-ray diffraction

International Nuclear Information System (INIS)

Drnec, Jakub; Ruge, Martin; Reikowski, Finn; Rahn, Björn; Carlà, Francesco; Felici, Roberto; Stettner, Jochim; Magnussen, Olaf M.; Harrington, David A.

2017-01-01

In-situ surface X-ray diffraction is used to characterize the surface oxides on a Pt(111) surface in 0.1 M HClO 4 . Detailed analysis at two potentials confirms that the surface restructuring in the initial oxidation stages is consistent with a place exchange process between Pt and O atoms, and the exchanged Pt atoms are located above their original positions in the Pt(111) lattice. The (1,1,1.5) reflection is used to dynamically study the surface during cyclic voltammetry. The restructuring associated with the place exchange initiates with the CV peak at 1.05 V, even though multiple cycles to 1.17 V lead to no changes in the CV. The restructuring is reversible below a critical coverage of place exchanged Pt atoms, which we estimate to be between 0.07 and 0.15 ML. Extensive cycling to potentials higher or equal to 1.17 V leads to progressive disordering of the surface.

Molecular dynamics simulation of potentiometric sensor response: the effect of biomolecules, surface morphology and surface charge.

Science.gov (United States)

Lowe, B M; Skylaris, C-K; Green, N G; Shibuta, Y; Sakata, T

2018-05-10

The silica-water interface is critical to many modern technologies in chemical engineering and biosensing. One technology used commonly in biosensors, the potentiometric sensor, operates by measuring the changes in electric potential due to changes in the interfacial electric field. Predictive modelling of this response caused by surface binding of biomolecules remains highly challenging. In this work, through the most extensive molecular dynamics simulation of the silica-water interfacial potential and electric field to date, we report a novel prediction and explanation of the effects of nano-morphology on sensor response. Amorphous silica demonstrated a larger potentiometric response than an equivalent crystalline silica model due to increased sodium adsorption, in agreement with experiments showing improved sensor response with nano-texturing. We provide proof-of-concept that molecular dynamics can be used as a complementary tool for potentiometric biosensor response prediction. Effects that are conventionally neglected, such as surface morphology, water polarisation, biomolecule dynamics and finite-size effects, are explicitly modelled.

Dynamic Bubble Surface Tension Measurements in Northwest Atlantic Seawater

Science.gov (United States)

Kieber, D. J.; Long, M. S.; Keene, W. C.; Kinsey, J. D.; Frossard, A. A.; Beaupre, S. R.; Duplessis, P.; Maben, J. R.; Lu, X.; Chang, R.; Zhu, Y.; Bisgrove, J.

2017-12-01

Numerous reports suggest that most organic matter (OM) associated with newly formed primary marine aerosol (PMA) originates from the sea-surface microlayer. However, surface-active OM rapidly adsorbs onto bubble surfaces in the water column and is ejected into the atmosphere when bubbles burst at the air-water interface. Here we present dynamic surface tension measurements of bubbles produced in near surface seawater from biologically productive and oligotrophic sites and in deep seawater collected from 2500 m in the northwest Atlantic. In all cases, the surface tension of bubble surfaces decreased within seconds after the bubbles were exposed to seawater. These observations demonstrate that bubble surfaces are rapidly saturated by surfactant material scavenged from seawater. Spatial and diel variability in bubble surface evolution indicate corresponding variability in surfactant concentrations and/or composition. Our results reveal that surface-active OM is found throughout the water column, and that at least some surfactants are not of recent biological origin. Our results also support the hypothesis that the surface microlayer is a minor to negligible source of OM associated with freshly produced PMA.

Analysis of static and dynamic pile-soil-jacket behaviour

Energy Technology Data Exchange (ETDEWEB)

Azadi, Mohammad Reza Emami

1998-12-31

In the offshore industry, recent extreme storms, severe earthquakes and subsidence of the foundation of jacket platforms have shown that new models and methods must take into account the jacket- pile-soil foundation interaction as well as the non-linear dynamic performance/loading effects. This thesis begins with a review of the state of art pile-soil interaction model, recognizing that most existing pile-soil models have been established based on large diameter pile tests on specific sites. The need for site independent and mechanistic pile-soil interaction models led to the development of new (t-z) and (p-y) disk models. These are validated using the available database from recent large diameter pile tests in the North Sea and Gulf of Mexico. The established static disk models are applied for non-linear static analysis of the jacket-pile-soil system under extreme wave loading. Dynamic pile-soil interaction is studied and a new disk-cone model is developed for the non-linear and non-homogeneous soils. This model is applied to both surface and embedded disks in a soil layer with non-linear properties. Simplified non-linear as well as more complex analysis methods are used to study the dynamic response of the jacket platform under extreme sea and seismic loading. Ductility spectra analysis is introduced and used to study the dynamic performance of the jacket systems near collapse. Case studies are used to illustrate the effects of structural, foundation failure characteristics as well as dynamic loading effects on the overall performance of the jacket-pile-soil systems near ultimate collapse. 175 refs., 429 figs., 70 tabs.

Influence of surface oxidation on ion dynamics and capacitance in porous and nonporous carbon electrodes

Energy Technology Data Exchange (ETDEWEB)

Dyatkin, Boris [Drexel Univ., Philadelphia, PA (United States); Zhang, Yu [Vanderbilt Univ., Nashville, TN (United States); Mamontov, Eugene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kolesnikov, Alexander I. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cheng, Yongqiang [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Meyer, III, Harry M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cummings, Peter T. [Vanderbilt Univ., Nashville, TN (United States); Gogotsi, Yury G. [Drexel Univ., Philadelphia, PA (United States)

2016-04-07

Here, we investigate the influence of surface chemistry and ion confinement on capacitance and electrosorption dynamics of room-temperature ionic liquids (RTILs) in supercapacitors. Using air oxidation and vacuum annealing, we produced defunctionalized and oxygen-rich surfaces of carbide-derived carbons (CDCs) and graphene nanoplatelets (GNPs). While oxidized surfaces of porous CDCs improve capacitance and rate handling abilities of ions, defunctionalized nonporous GNPs improve charge storage densities on planar electrodes. Quasi-elastic neutron scattering (QENS) and inelastic neutron scattering (INS) probed the structure, dynamics, and orientation of RTIL ions confined in divergently functionalized pores. Oxidized, ionophilic surfaces draw ions closer to pore surfaces and enhance potential-driven ion transport during electrosorption. Molecular dynamics (MD) simulations corroborated experimental data and demonstrated the significance of surface functional groups on ion orientations, accumulation densities, and capacitance.

Response analysis of the dynamic excitation of hen eggs

OpenAIRE

Libor Severa

2007-01-01

Commercially produced hen eggs have been tested by means of dynamic excitation of the egg-shells with following analysis of their response. The falling steel ball have been chosen as a exciting instrument and the laser vibrometer have been used as a measuring device for the egg response. The reproductibility of the experiments has been relatively high and the surface velocity has been found to be significantly dependent on the position around the meridian. Analysed frequency spectrum has show...

The ising model on the dynamical triangulated random surface

International Nuclear Information System (INIS)

Aleinov, I.D.; Migelal, A.A.; Zmushkow, U.V.

1990-01-01

The critical properties of Ising model on the dynamical triangulated random surface embedded in D-dimensional Euclidean space are investigated. The strong coupling expansion method is used. The transition to thermodynamical limit is performed by means of continuous fractions

Dynamical Analysis of the Global Warming

Directory of Open Access Journals (Sweden)

J. A. Tenreiro Machado

2012-01-01

Full Text Available Global warming is a major concern nowadays. Weather conditions are changing, and it seems that human activity is one of the main causes. In fact, since the beginning of the industrial revolution, the burning of fossil fuels has increased the nonnatural emissions of carbon dioxide to the atmosphere. Carbon dioxide is a greenhouse gas that absorbs the infrared radiation produced by the reflection of the sunlight on the Earth’s surface, trapping the heat in the atmosphere. Global warming and the associated climate changes are being the subject of intensive research due to their major impact on social, economic, and health aspects of human life. This paper studies the global warming trend in the perspective of dynamical systems and fractional calculus, which is a new standpoint in this context. Worldwide distributed meteorological stations and temperature records for the last 100 years are analysed. It is shown that the application of Fourier transforms and power law trend lines leads to an assertive representation of the global warming dynamics and a simpler analysis of its characteristics.

High-precision drop shape analysis on inclining flat surfaces: introduction and comparison of this special method with commercial contact angle analysis.

Science.gov (United States)

Schmitt, Michael; Heib, Florian

2013-10-07

Drop shape analysis is one of the most important and frequently used methods to characterise surfaces in the scientific and industrial communities. An especially large number of studies, which use contact angle measurements to analyse surfaces, are characterised by incorrect or misdirected conclusions such as the determination of surface energies from poorly performed contact angle determinations. In particular, the characterisation of surfaces, which leads to correlations between the contact angle and other effects, must be critically validated for some publications. A large number of works exist concerning the theoretical and thermodynamic aspects of two- and tri-phase boundaries. The linkage between theory and experiment is generally performed by an axisymmetric drop shape analysis, that is, simulations of the theoretical drop profiles by numerical integration onto a number of points of the drop meniscus (approximately 20). These methods work very well for axisymmetric profiles such as those obtained by pendant drop measurements, but in the case of a sessile drop onto real surfaces, additional unknown and misunderstood effects on the dependence of the surface must be considered. We present a special experimental and practical investigation as another way to transition from experiment to theory. This procedure was developed to be especially sensitive to small variations in the dependence of the dynamic contact angle on the surface; as a result, this procedure will allow the properties of the surface to be monitored with a higher precession and sensitivity. In this context, water drops onto a 111 silicon wafer are dynamically measured by video recording and by inclining the surface, which results in a sequence of non-axisymmetric drops. The drop profiles are analysed by commercial software and by the developed and presented high-precision drop shape analysis. In addition to the enhanced sensitivity for contact angle determination, this analysis technique, in

The dynamic analysis of drum roll lathe for machining of rollers

Science.gov (United States)

Qiao, Zheng; Wu, Dongxu; Wang, Bo; Li, Guo; Wang, Huiming; Ding, Fei

2014-08-01

An ultra-precision machine tool for machining of the roller has been designed and assembled, and due to the obvious impact which dynamic characteristic of machine tool has on the quality of microstructures on the roller surface, the dynamic characteristic of the existing machine tool is analyzed in this paper, so is the influence of circumstance that a large scale and slender roller is fixed in the machine on dynamic characteristic of the machine tool. At first, finite element model of the machine tool is built and simplified, and based on that, the paper carries on with the finite element mode analysis and gets the natural frequency and shaking type of four steps of the machine tool. According to the above model analysis results, the weak stiffness systems of machine tool can be further improved and the reasonable bandwidth of control system of the machine tool can be designed. In the end, considering the shock which is caused by Z axis as a result of fast positioning frequently to feeding system and cutting tool, transient analysis is conducted by means of ANSYS analysis in this paper. Based on the results of transient analysis, the vibration regularity of key components of machine tool and its impact on cutting process are explored respectively.

From analysis to surface

DEFF Research Database (Denmark)

Bemman, Brian; Meredith, David

it with a “ground truth” analysis of the same music pro- duced by a human expert (see, in particular, [5]). In this paper, we explore the problem of generating an encoding of the musical surface of a work automatically from a systematic encoding of an analysis. The ability to do this depends on one having...... an effective (i.e., comput- able), correct and complete description of some aspect of the structure of the music. Generating the surface struc- ture of a piece from an analysis in this manner serves as a proof of the analysis' correctness, effectiveness and com- pleteness. We present a reductive analysis......In recent years, a significant body of research has focused on developing algorithms for computing analyses of mu- sical works automatically from encodings of these works' surfaces [3,4,7,10,11]. The quality of the output of such analysis algorithms is typically evaluated by comparing...

Non-equilibrium dynamics of single polymer adsorption to solid surfaces

International Nuclear Information System (INIS)

Panja, Debabrata; Barkema, Gerard T; Kolomeisky, Anatoly B

2009-01-01

The adsorption of polymers to surfaces is crucial for understanding many fundamental processes in nature. Recent experimental studies indicate that the adsorption dynamics is dominated by non-equilibrium effects. We investigate the adsorption of a single polymer of length N to a planar solid surface in the absence of hydrodynamic interactions. We find that for weak adsorption energies the adsorption timescales ∼N (1+2ν)/(1+ν) , where ν is the Flory exponent for the polymer. We argue that in this regime the single chain adsorption is closely related to a field-driven polymer translocation through narrow pores. Surprisingly, for high adsorption energies the adsorption time becomes longer, as it scales as ∼N 1+ν , which is explained by strong stretching of the unadsorbed part of the polymer close to the adsorbing surface. These two dynamic regimes are separated by an energy scale that is characterized by non-equilibrium contributions during the adsorption process. (fast track communication)

Fluorescence quenching studies of potential-dependent DNA reorientation dynamics at glassy carbon electrode surfaces.

Science.gov (United States)

Li, Qin; Cui, Chenchen; Higgins, Daniel A; Li, Jun

2012-09-05

The potential-dependent reorientation dynamics of double-stranded DNA (ds-DNA) attached to planar glassy carbon electrode (GCE) surfaces were investigated. The orientation state of surface-bound ds-DNA was followed by monitoring the fluorescence from a 6-carboxyfluorescein (FAM6) fluorophore covalently linked to the distal end of the DNA. Positive potentials (i.e., +0.2 V vs open circuit potential, OCP) caused the ds-DNA to align parallel to the electrode surface, resulting in strong dipole-electrode quenching of FAM6 fluorescence. Switching of the GCE potential to negative values (i.e., -0.2 V vs OCP) caused the ds-DNA to reorient perpendicular to the electrode surface, with a concomitant increase in FAM6 fluorescence. In addition to the very fast (submilliseconds) dynamics of the initial reorientation process, slow (0.1-0.9 s) relaxation of FAM6 fluorescence to intermediate levels was also observed after potential switching. These dynamics have not been previously described in the literature. They are too slow to be explained by double layer charging, and chronoamperometry data showed no evidence of such effects. Both the amplitude and rate of the dynamics were found to depend upon buffer concentration, and ds-DNA length, demonstrating a dependence on the double layer field. The dynamics are concluded to arise from previously undetected complexities in the mechanism of potential-dependent ds-DNA reorientation. The possible origins of these dynamics are discussed. A better understanding of these dynamics will lead to improved models for potential-dependent ds-DNA reorientation at electrode surfaces and will facilitate the development of advanced electrochemical devices for detection of target DNAs.

Seasonal dynamics of surface chlorophyll concentration and sea surface temperature, as indicator of hydrological structure of the ocean (by satellite data)

Science.gov (United States)

Shevyrnogov, Anatoly; Vysotskaya, Galina

Continuous monitoring of phytopigment concentrations and sea surface temperature in the ocean by space-borne methods makes possible to estimate ecological condition of biocenoses in critical areas. Unlike land vegetation, hydrological processes largely determine phytoplank-ton dynamics, which may be either recurrent or random. The types of chlorophyll concentration dynamics and sea surface temperature can manifest as zones quasistationary by seasonal dynamics, quasistationary areas (QSA). In the papers of the authors (A. Shevyrnogov, G. Vysotskaya, E. Shevyrnogov, A study of the stationary and the anomalous in the ocean surface chlorophyll distribution by satellite data. International Journal of Remote Sensing, Vol. 25, No.7-8, pp. 1383-1387, April 2004 & A. P. Shevyrnogov, G. S. Vysotskaya, J. I. Gitelson, Quasistationary areas of chlorophyll concentra-tion in the world ocean as observed satellite data Advances in Space Research, Volume 18, Issue 7, Pages 129-132, 1996) existence of zones, which are quasi-stationary with similar seasonal dynamics of chlorophyll concentration at surface layer of ocean, was shown. Results were obtained on the base of processing of time series of satellite images SeaWiFS. It was shown that fronts and frontal zones coincide with dividing lines between quasi-stationary are-as, especially in areas of large oceanic streams. To study the dynamics of the ocean for the period from 1985 through 2012 we used data on the temperature of the surface layer of the ocean and chlorophyll concentration (AVHRR, SeaWiFS and MODIS). Biota of surface oceanic layer is more stable in comparison with quickly changing surface tem-perature. It gives a possibility to circumvent influence of high-frequency component (for exam-ple, a diurnal cycle) in investigation of dynamics of spatial distribution of surface streams. In addition, an analyses of nonstable ocean productivity phenomena, stood out time series of satellite images, showed existence of areas with

Dust Dynamics Near Planetary Surfaces

Science.gov (United States)

Colwell, Joshua; Hughes, Anna; Grund, Chris

Observations of a lunar "horizon glow" by several Surveyor spacecraft in the 1960s opened the study of the dynamics of charged dust particles near planetary surfaces. The surfaces of the Moon and other airless planetary bodies in the solar system (asteroids, and other moons) are directly exposed to the solar wind and ionizing solar ultraviolet radiation, resulting in a time-dependent electric surface potential. Because these same objects are also exposed to bombardment by micrometeoroids, the surfaces are usually characterized by a power-law size distribution of dust that extends to sub-micron-sized particles. Individual particles can acquire a charge different from their surroundings leading to electrostatic levitation. Once levitated, particles may simply return to the surface on nearly ballistic trajectories, escape entirely from the moon or asteroid if the initial velocity is large, or in some cases be stably levitated for extended periods of time. All three outcomes have observable consequences. Furthermore, the behavior of charged dust near the surface has practical implications for planned future manned and unmanned activities on the lunar surface. Charged dust particles also act as sensitive probes of the near-surface plasma environment. Recent numerical modeling of dust levitation and transport show that charged micron-sized dust is likely to accumulate in topographic lows such as craters, providing a mechanism for the creation of dust "ponds" observed on the asteroid 433 Eros. Such deposition can occur when particles are supported by the photoelectron sheath above the dayside and drift over shadowed regions of craters where the surface potential is much smaller. Earlier studies of the lunar horizon glow are consistent with those particles being on simple ballistic trajectories following electrostatic launching from the surface. Smaller particles may be accelerated from the lunar surface to high altitudes consistent with observations of high altitude

Surface analysis the principal techniques

CERN Document Server

Vickerman, John C

2009-01-01

This completely updated and revised second edition of Surface Analysis: The Principal Techniques, deals with the characterisation and understanding of the outer layers of substrates, how they react, look and function which are all of interest to surface scientists. Within this comprehensive text, experts in each analysis area introduce the theory and practice of the principal techniques that have shown themselves to be effective in both basic research and in applied surface analysis. Examples of analysis are provided to facilitate the understanding of this topic and to show readers how they c

Surface Roughness Analysis in the Hard Milling of JIS SKD61 Alloy Steel

OpenAIRE

Huu-That Nguyen; Quang-Cherng Hsu

2016-01-01

Hard machining is an efficient solution that can be used to replace the grinding operation in the mold and die manufacturing industry. In this study, an attempt is made to analyze the effect of process parameters on workpiece surface roughness (Ra) in the hard milling of JIS (Japanese Industrial Standard) SKD61 steel, based on a combination of the Taguchi method and response surface methodology (RSM). The cutting parameters are selected based on the structural dynamic analysis of the machine ...

Surface and interface analysis an electrochemists toolbox

CERN Document Server

Holze, Rudolf

2009-01-01

A broad, almost encyclopedic overview of spectroscopic and other analytical techniques useful for investigations of phase boundaries in electrochemistry is presented. The analysis of electrochemical interfaces and interphases on a microscopic, even molecular level, is of central importance for an improved understanding of the structure and dynamics of these phase boundaries. The gained knowledge will be needed for improvements of methods and applications reaching from electrocatalysis, electrochemical energy conversion, biocompatibility of metals, corrosion protection to galvanic surface treatment and finishing. The book provides an overview as complete as possible and enables the reader to choose methods most suitable for tackling his particular task. It is nevertheless compact and does not flood the reader with the details of review papers.

Optimal Hotspots of Dynamic Surfaced-Enhanced Raman Spectroscopy for Drugs Quantitative Detection.

Science.gov (United States)

Yan, Xiunan; Li, Pan; Zhou, Binbin; Tang, Xianghu; Li, Xiaoyun; Weng, Shizhuang; Yang, Liangbao; Liu, Jinhuai

2017-05-02

Surface-enhanced Raman spectroscopy (SERS) as a powerful qualitative analysis method has been widely applied in many fields. However, SERS for quantitative analysis still suffers from several challenges partially because of the absence of stable and credible analytical strategy. Here, we demonstrate that the optimal hotspots created from dynamic surfaced-enhanced Raman spectroscopy (D-SERS) can be used for quantitative SERS measurements. In situ small-angle X-ray scattering was carried out to in situ real-time monitor the formation of the optimal hotspots, where the optimal hotspots with the most efficient hotspots were generated during the monodisperse Au-sol evaporating process. Importantly, the natural evaporation of Au-sol avoids the nanoparticles instability of salt-induced, and formation of ordered three-dimensional hotspots allows SERS detection with excellent reproducibility. Considering SERS signal variability in the D-SERS process, 4-mercaptopyridine (4-mpy) acted as internal standard to validly correct and improve stability as well as reduce fluctuation of signals. The strongest SERS spectra at the optimal hotspots of D-SERS have been extracted to statistics analysis. By using the SERS signal of 4-mpy as a stable internal calibration standard, the relative SERS intensity of target molecules demonstrated a linear response versus the negative logarithm of concentrations at the point of strongest SERS signals, which illustrates the great potential for quantitative analysis. The public drugs 3,4-methylenedioxymethamphetamine and α-methyltryptamine hydrochloride obtained precise analysis with internal standard D-SERS strategy. As a consequence, one has reason to believe our approach is promising to challenge quantitative problems in conventional SERS analysis.

Quantitative strain analysis of surfaces and interfaces using extremely asymmetric x-ray diffraction

International Nuclear Information System (INIS)

Akimoto, Koichi; Emoto, Takashi

2010-01-01

Strain can reduce carrier mobility and the reliability of electronic devices and affect the growth mode of thin films and the stability of nanometer-scale crystals. To control lattice strain, a technique for measuring the minute lattice strain at surfaces and interfaces is needed. Recently, an extremely asymmetric x-ray diffraction method has been developed for this purpose. By employing Darwin's dynamical x-ray diffraction theory, quantitative evaluation of strain at surfaces and interfaces becomes possible. In this paper, we review our quantitative strain analysis studies on native SiO 2 /Si interfaces, reconstructed Si surfaces, Ni/Si(111)-H interfaces, sputtered III-V compound semiconductor surfaces, high-k/Si interfaces, and Au ion-implanted Si. (topical review)

Incorporating human-water dynamics in a hyper-resolution land surface model

Science.gov (United States)

Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

2017-12-01

The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in

A method for the dynamic and thermal stress analysis of space shuttle surface insulation

Science.gov (United States)

Ojalvo, I. U.; Levy, A.; Austin, F.

1975-01-01

The thermal protection system of the space shuttle consists of thousands of separate insulation tiles bonded to the orbiter's surface through a soft strain-isolation layer. The individual tiles are relatively thick and possess nonuniform properties. Therefore, each is idealized by finite-element assemblages containing up to 2500 degrees of freedom. Since the tiles affixed to a given structural panel will, in general, interact with one another, application of the standard direct-stiffness method would require equation systems involving excessive numbers of unknowns. This paper presents a method which overcomes this problem through an efficient iterative procedure which requires treatment of only a single tile at any given time. Results of associated static, dynamic, and thermal stress analyses and sufficient conditions for convergence of the iterative solution method are given.

He-atom surface scattering apparatus for studies of crystalline surface dynamics. Progress report, May 1, 1985-April 30, 1986

International Nuclear Information System (INIS)

1986-01-01

The primary goal of this grant is the construction of a state-of-the-art He atom-crystal surface scattering apparatus which will be capable of measuring both elastic and inelastic scattering of He atoms from crystal surfaces of metals, semiconductors and insulators. First, the apparatus will be constructed and characterized, after which a program of studies on the surface dynamics of a variety of crystal surfaces will be started. 6 refs., 2 figs

Systems-Dynamic Analysis for Neighborhood Study

Science.gov (United States)

Systems-dynamic analysis (or system dynamics (SD)) helps planners identify interrelated impacts of transportation and land-use policies on neighborhood-scale economic outcomes for households and businesses, among other applications. This form of analysis can show benefits and tr...

The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

Science.gov (United States)

Nguyen, Duc; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Girolami, Gregory S.; Lyding, Joseph; Gruebele, Martin

2014-11-01

Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB2 glass surface, two-state hopping of 1-2 nm diameter cooperatively rearranging regions or "clusters" occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how "mixed" features can show up in surface dynamics of glasses.

Near Space Hypersonic Unmanned Aerial Vehicle Dynamic Surface Backstepping Control Design

Directory of Open Access Journals (Sweden)

Jinyong YU

2014-07-01

Full Text Available Compared with traditional aircraft, the near space hypersonic unmanned aerial vehicle control system design must deal with the extra prominent dynamics characters, which are differ from the traditional aircrafts control system design. A new robust adaptive control design method is proposed for one hypersonic unmanned aerial vehicle (HSUAV uncertain MIMO nonaffine block control system by using multilayer neural networks, feedback linearization technology, and dynamic surface backstepping. Multilayer neural networks are used to compensate the influence from the uncertain, which designs the robust terms to solve the problem from approach error. Adaptive backstepping is adopted designed to ensure control law, the dynamic surface control strategy to eliminate “the explosion of terms” by introducing a series of first order filters to obtain the differentiation of the virtual control inputs. Finally, nonlinear six-degree-of-freedom (6-DOF numerical simulation results for a HSUAV model are presented to demonstrate the effectiveness of the proposed method.

Implementation of surface hopping molecular dynamics using semiempirical methods

International Nuclear Information System (INIS)

Fabiano, E.; Keal, T.W.; Thiel, W.

2008-01-01

A molecular dynamics driver and surface hopping algorithm for nonadiabatic dynamics has been implemented in a development version of the MNDO semiempirical electronic structure package. The required energies, gradients and nonadiabatic couplings are efficiently evaluated on the fly using semiempirical configuration interaction methods. The choice of algorithms for the time evolution of the nuclear motion and quantum amplitudes is discussed, and different schemes for the computation of nonadiabatic couplings are analysed. The importance of molecular orbital tracking and electronic state following is underlined in the context of configuration interaction calculations. The method is applied to three case studies (ethylene, methaniminium ion, and methanimine) using the orthogonalization corrected OM2 Hamiltonian. In all three cases decay times and dynamics paths similar to high-level ab initio results are obtained

Dynamic Surface Adaptive Robust Control of Unmanned Marine Vehicles with Disturbance Observer

Directory of Open Access Journals (Sweden)

Pengchao Zhang

2018-01-01

Full Text Available This paper presents a dynamic surface adaptive robust control method with disturbance observer for unmanned marine vehicles (UMV. It uses adaptive law to estimate and compensate the disturbance observer error. Dynamic surface is introduced to solve the “differential explosion” caused by the virtual control derivation in traditional backstepping method. The final controlled system is proved to be globally uniformly bounded based on Lyapunov stability theory. Simulation results illustrate the effectiveness of the proposed controller, which can realize the three-dimensional trajectory tracking for UMV with the systematic uncertainty and time-varying disturbances.

Chaos control of the micro-electro-mechanical resonator by using adaptive dynamic surface technology with extended state observer

International Nuclear Information System (INIS)

Luo, Shaohua; Sun, Quanping; Cheng, Wei

2016-01-01

This paper addresses chaos control of the micro-electro- mechanical resonator by using adaptive dynamic surface technology with extended state observer. To reveal the mechanism of the micro- electro-mechanical resonator, the phase diagrams and corresponding time histories are given to research the nonlinear dynamics and chaotic behavior, and Homoclinic and heteroclinic chaos which relate closely with the appearance of chaos are presented based on the potential function. To eliminate the effect of chaos, an adaptive dynamic surface control scheme with extended state observer is designed to convert random motion into regular motion without precise system model parameters and measured variables. Putting tracking differentiator into chaos controller solves the ‘explosion of complexity’ of backstepping and poor precision of the first-order filters. Meanwhile, to obtain high performance, a neural network with adaptive law is employed to approximate unknown nonlinear function in the process of controller design. The boundedness of all the signals of the closed-loop system is proved in theoretical analysis. Finally, numerical simulations are executed and extensive results illustrate effectiveness and robustness of the proposed scheme.

Real-Space Imaging of Carrier Dynamics of Materials Surfaces by Second-Generation Four-Dimensional Scanning Ultrafast Electron Microscopy

KAUST Repository

Sun, Jingya

2015-09-14

In the fields of photocatalysis and photovoltaics, ultrafast dynamical processes, including carrier trapping and recombination on material surfaces, are among the key factors that determine the overall energy conversion efficiency. A precise knowledge of these dynamical events on the nanometer (nm) and femtosecond (fs) scales was not accessible until recently. The only way to access such fundamental processes fully is to map the surface dynamics selectively in real space and time. In this study, we establish a second generation of four-dimensional scanning ultrafast electron microscopy (4D S-UEM) and demonstrate the ability to record time-resolved images (snapshots) of material surfaces with 650 fs and ∼5 nm temporal and spatial resolutions, respectively. In this method, the surface of a specimen is excited by a clocking optical pulse and imaged using a pulsed primary electron beam as a probe pulse, generating secondary electrons (SEs), which are emitted from the surface of the specimen in a manner that is sensitive to the local electron/hole density. This method provides direct and controllable information regarding surface dynamics. We clearly demonstrate how the surface morphology, grains, defects, and nanostructured features can significantly impact the overall dynamical processes on the surface of photoactive-materials. In addition, the ability to access two regimes of dynamical probing in a single experiment and the energy loss of SEs in semiconductor-nanoscale materials will also be discussed.

Surface conductivity dependent dynamic behaviour of an ultrafine atmospheric pressure plasma jet for microscale surface processing

Energy Technology Data Exchange (ETDEWEB)

Abuzairi, Tomy [Graduate School of Science and Technology, Shizuoka University, Hamamatsu 432-8561 (Japan); Department of Electrical Engineering, Faculty of Engineering, Universitas Indonesia, Depok 16424 (Indonesia); Okada, Mitsuru [Department of Engineering, Shizuoka University, Hamamatsu 432-8561 (Japan); Bhattacharjee, Sudeep [Department of Physics, Indian Institute of Technology, Kanpur 208016 (India); Nagatsu, Masaaki, E-mail: nagatsu.masaaki@shizuoka.ac.jp [Graduate School of Science and Technology, Shizuoka University, Hamamatsu 432-8561 (Japan); Department of Engineering, Shizuoka University, Hamamatsu 432-8561 (Japan); Research Institute of Electronics, Shizuoka University, Hamamatsu 432-8561 (Japan)

2016-12-30

Highlights: • Spatio-temporal behaviors of capillary APPJs are studied for various substrates. • Plasma irradiation area depended on the substrate conductivity and permittivity. • Surface irradiation area was significantly broadened in polymer-like substrate. • Effect of applying a substrate bias on the APPJ irradiation area was investigated. - Abstract: An experimental study on the dynamic behaviour of microcapillary atmospheric pressure plasma jets (APPJs) with 5 μm tip size for surfaces of different conductivity is reported. Electrical and spatio-temporal characteristics of the APPJs are monitored using high voltage probe, current monitor and high speed intensified charge couple device camera. From these experimental results, we presented a simple model to understand the electrical discharge characteristics of the capillary APPJs with double electrodes, and estimated the velocity of the ionization fronts in the jet and the electron density to be 3.5–4.2 km/s and 2–7 × 10{sup 17} m{sup −3}. By analyzing the dynamics of the microcapillary APPJs for different substrate materials, it was found that the surface irradiation area strongly depended on the substrate conductivity and permittivity, especially in the case of polymer-like substrate, surface irradiation area was significantly broadened probably due to the repelling behaviour of the plasma jets from the accumulated electrical charges on the polymer surface. The effect of applying a substrate bias in the range from −900 V to +900 V on the plasma irradiation onto the substrates was also investigated. From the knowledge of the present results, it is helpful for choosing the substrate materials for microscale surface modification.

Surface conductivity dependent dynamic behaviour of an ultrafine atmospheric pressure plasma jet for microscale surface processing

International Nuclear Information System (INIS)

Abuzairi, Tomy; Okada, Mitsuru; Bhattacharjee, Sudeep; Nagatsu, Masaaki

2016-01-01

Highlights: • Spatio-temporal behaviors of capillary APPJs are studied for various substrates. • Plasma irradiation area depended on the substrate conductivity and permittivity. • Surface irradiation area was significantly broadened in polymer-like substrate. • Effect of applying a substrate bias on the APPJ irradiation area was investigated. - Abstract: An experimental study on the dynamic behaviour of microcapillary atmospheric pressure plasma jets (APPJs) with 5 μm tip size for surfaces of different conductivity is reported. Electrical and spatio-temporal characteristics of the APPJs are monitored using high voltage probe, current monitor and high speed intensified charge couple device camera. From these experimental results, we presented a simple model to understand the electrical discharge characteristics of the capillary APPJs with double electrodes, and estimated the velocity of the ionization fronts in the jet and the electron density to be 3.5–4.2 km/s and 2–7 × 10"1"7 m"−"3. By analyzing the dynamics of the microcapillary APPJs for different substrate materials, it was found that the surface irradiation area strongly depended on the substrate conductivity and permittivity, especially in the case of polymer-like substrate, surface irradiation area was significantly broadened probably due to the repelling behaviour of the plasma jets from the accumulated electrical charges on the polymer surface. The effect of applying a substrate bias in the range from −900 V to +900 V on the plasma irradiation onto the substrates was also investigated. From the knowledge of the present results, it is helpful for choosing the substrate materials for microscale surface modification.

Impact of dynamic vegetation phenology on the simulated pan-Arctic land surface state

Science.gov (United States)

Teufel, Bernardo; Sushama, Laxmi; Arora, Vivek K.; Verseghy, Diana

2018-03-01

The pan-Arctic land surface is undergoing rapid changes in a warming climate, with near-surface permafrost projected to degrade significantly during the twenty-first century. Vegetation-related feedbacks have the potential to influence the rate of degradation of permafrost. In this study, the impact of dynamic phenology on the pan-Arctic land surface state, particularly near-surface permafrost, for the 1961-2100 period, is assessed by comparing two simulations of the Canadian Land Surface Scheme (CLASS)—one with dynamic phenology, modelled using the Canadian Terrestrial Ecosystem Model (CTEM), and the other with prescribed phenology. These simulations are forced by atmospheric data from a transient climate change simulation of the 5th generation Canadian Regional Climate Model (CRCM5) for the Representative Concentration Pathway 8.5 (RCP8.5). Comparison of the CLASS coupled to CTEM simulation to available observational estimates of plant area index, spatial distribution of permafrost and active layer thickness suggests that the model captures reasonably well the overall distribution of vegetation and permafrost. It is shown that the most important impact of dynamic phenology on the land surface occurs through albedo and it is demonstrated for the first time that vegetation control on albedo during late spring and early summer has the highest potential to impact the degradation of permafrost. While both simulations show extensive near-surface permafrost degradation by the end of the twenty-first century, the strong projected response of vegetation to climate warming and increasing CO2 concentrations in the coupled simulation results in accelerated permafrost degradation in the northernmost continuous permafrost regions.

Memory effects in nonadiabatic molecular dynamics at metal surfaces

DEFF Research Database (Denmark)

Olsen, Thomas; Schiøtz, Jakob

2010-01-01

We study the effect of temporal correlation in a Langevin equation describing nonadiabatic dynamics at metal surfaces. For a harmonic oscillator, the Langevin equation preserves the quantum dynamics exactly and it is demonstrated that memory effects are needed in order to conserve the ground state...... energy of the oscillator. We then compare the result of Langevin dynamics in a harmonic potential with a perturbative master equation approach and show that the Langevin equation gives a better description in the nonperturbative range of high temperatures and large friction. Unlike the master equation......, this approach is readily extended to anharmonic potentials. Using density functional theory, we calculate representative Langevin trajectories for associative desorption of N-2 from Ru(0001) and find that memory effects lower the dissipation of energy. Finally, we propose an ab initio scheme to calculate...

Accelerating solving the dynamic multi-objective nework design problem using response surface methods

NARCIS (Netherlands)

Wismans, Luc Johannes Josephus; van Berkum, Eric C.; Bliemer, Michiel C.J.; Viti, F.; Immers, B.; Tampere, C.

2011-01-01

Multi objective optimization of externalities of traffic solving a network design problem in which Dynamic Traffic Management measures are used, is time consuming while heuristics are needed and solving the lower level requires solving the dynamic user equilibrium problem. Use of response surface

Dynamic Leidenfrost temperature on micro-textured surfaces: Acoustic wave absorption into thin vapor layer

Science.gov (United States)

Jerng, Dong Wook; Kim, Dong Eok

2018-01-01

The dynamic Leidenfrost phenomenon is governed by three types of pressure potentials induced via vapor hydrodynamics, liquid dynamic pressure, and the water hammer effect resulting from the generation of acoustic waves at the liquid-vapor interface. The prediction of the Leidenfrost temperature for a dynamic droplet needs quantitative evaluation and definition for each of the pressure fields. In particular, the textures on a heated surface can significantly affect the vapor hydrodynamics and the water hammer pressure. We present a quantitative model for evaluating the water hammer pressure on micro-textured surfaces taking into account the absorption of acoustic waves into the thin vapor layer. The model demonstrates that the strength of the acoustic flow into the liquid droplet, which directly contributes to the water hammer pressure, depends on the magnitude of the acoustic resistance (impedance) in the droplet and the vapor region. In consequence, the micro-textures of the surface and the increased spacing between them reduce the water hammer coefficient ( kh ) defined as the ratio of the acoustic flow into the droplet to total generated flow. Aided by numerical calculations that solve the laminar Navier-Stokes equation for the vapor flow, we also predict the dynamic Leidenfrost temperature on a micro-textured surface with reliable accuracy consistent with the experimental data.

Ocean current surface measurement using dynamic elevations obtained by the GEOS-3 radar altimeter

Science.gov (United States)

Leitao, C. D.; Huang, N. E.; Parra, C. G.

1977-01-01

Remote Sensing of the ocean surface from the GEOS-3 satellite using radar altimeter data has confirmed that the altimeter can detect the dynamic ocean topographic elevations relative to an equipotential surface, thus resulting in a reliable direct measurement of the ocean surface. Maps of the ocean dynamic topography calculated over a one month period and with 20 cm contour interval are prepared for the last half of 1975. The Gulf Stream is observed by the rapid slope change shown by the crowding of contours. Cold eddies associated with the current are seen as roughly circular depressions.

Dynamic stall characterization using modal analysis of phase-averaged pressure distributions

Science.gov (United States)

Harms, Tanner; Nikoueeyan, Pourya; Naughton, Jonathan

2017-11-01

Dynamic stall characterization by means of surface pressure measurements can simplify the time and cost associated with experimental investigation of unsteady airfoil aerodynamics. A unique test capability has been developed at University of Wyoming over the past few years that allows for time and cost efficient measurement of dynamic stall. A variety of rotorcraft and wind turbine airfoils have been tested under a variety of pitch oscillation conditions resulting in a range of dynamic stall behavior. Formation, development and separation of different flow structures are responsible for the complex aerodynamic loading behavior experienced during dynamic stall. These structures have unique signatures on the pressure distribution over the airfoil. This work investigates the statistical behavior of phase-averaged pressure distribution for different types of dynamic stall by means of modal analysis. The use of different modes to identify specific flow structures is being investigated. The use of these modes for different types of dynamic stall can provide a new approach for understanding and categorizing these flows. This work uses airfoil data acquired under Army contract W911W60160C-0021, DOE Grant DE-SC0001261, and a gift from BP Alternative Energy North America, Inc.

The global distribution and dynamics of surface soil moisture

Science.gov (United States)

McColl, Kaighin A.; Alemohammad, Seyed Hamed; Akbar, Ruzbeh; Konings, Alexandra G.; Yueh, Simon; Entekhabi, Dara

2017-01-01

Surface soil moisture has a direct impact on food security, human health and ecosystem function. It also plays a key role in the climate system, and the development and persistence of extreme weather events such as droughts, floods and heatwaves. However, sparse and uneven observations have made it difficult to quantify the global distribution and dynamics of surface soil moisture. Here we introduce a metric of soil moisture memory and use a full year of global observations from NASA's Soil Moisture Active Passive mission to show that surface soil moisture--a storage believed to make up less than 0.001% of the global freshwater budget by volume, and equivalent to an, on average, 8-mm thin layer of water covering all land surfaces--plays a significant role in the water cycle. Specifically, we find that surface soil moisture retains a median 14% of precipitation falling on land after three days. Furthermore, the retained fraction of the surface soil moisture storage after three days is highest over arid regions, and in regions where drainage to groundwater storage is lowest. We conclude that lower groundwater storage in these regions is due not only to lower precipitation, but also to the complex partitioning of the water cycle by the surface soil moisture storage layer at the land surface.

Dynamic Chest Image Analysis: Model-Based Perfusion Analysis in Dynamic Pulmonary Imaging

Directory of Open Access Journals (Sweden)

Kiuru Aaro

2003-01-01

Full Text Available The "Dynamic Chest Image Analysis" project aims to develop model-based computer analysis and visualization methods for showing focal and general abnormalities of lung ventilation and perfusion based on a sequence of digital chest fluoroscopy frames collected with the dynamic pulmonary imaging technique. We have proposed and evaluated a multiresolutional method with an explicit ventilation model for ventilation analysis. This paper presents a new model-based method for pulmonary perfusion analysis. According to perfusion properties, we first devise a novel mathematical function to form a perfusion model. A simple yet accurate approach is further introduced to extract cardiac systolic and diastolic phases from the heart, so that this cardiac information may be utilized to accelerate the perfusion analysis and improve its sensitivity in detecting pulmonary perfusion abnormalities. This makes perfusion analysis not only fast but also robust in computation; consequently, perfusion analysis becomes computationally feasible without using contrast media. Our clinical case studies with 52 patients show that this technique is effective for pulmonary embolism even without using contrast media, demonstrating consistent correlations with computed tomography (CT and nuclear medicine (NM studies. This fluoroscopical examination takes only about 2 seconds for perfusion study with only low radiation dose to patient, involving no preparation, no radioactive isotopes, and no contrast media.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study.

Science.gov (United States)

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-21

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C 12 E 8 ) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

Bio-diatomite dynamic membrane reactor for micro-polluted surface water treatment.

Science.gov (United States)

Chu, Huaqiang; Cao, Dawen; Dong, Bingzhi; Qiang, Zhimin

2010-03-01

This work investigated the feasibility of treating micro-polluted surface water for drinking water production with a bio-diatomite dynamic membrane reactor (BDDMR) at lab-scale in continuous-flow mode. Results indicate that the BDDMR was effective in removing COD(Mn), DOC, UV(254), NH(3)-N and trihalomethanes' formation potential (THMFP) at a hydraulic retention time (HRT) of 3.5h due to its high concentrations of mixed liquor suspended solids (MLSS) and mixed liquor volatile suspended solids (MLVSS). The removal of pollutants was mainly ascribed to microbial degradation in BDDMR because the dynamic membrane alone was much less effective in pollutant removal. Though the diatomite particles (5-20microm) were much smaller in size than the aperture of the stainless steel support mesh (74microm), microorganisms and their extracellular polymer substances could bind these particles tightly to form bio-diatomite particles which were completely retained by the support mesh. The analysis of molecular weight (MW) distribution by gel permeation chromatography (GPC) shows that the BDDMR could effectively remove the hydrophilic fraction of dissolved organic materials present in the raw water. Copyright 2009 Elsevier Ltd. All rights reserved.

Dynamics of H2 on Ti/Al(100) surfaces

NARCIS (Netherlands)

Chen, Jian-Cheng

2011-01-01

What is the catalytic role played by titanium in the hydrogen storage material NaAlH4? This thesis aims at unraveling the dynamics of an elementary reaction: H2 dissociation on Ti/Al(100) surfaces. Although this reaction is not the rate limiting step in the hydrogen storage of NaAlH4, it is an

Complementary effects of surface water and groundwater on soil moisture dynamics in a degraded coastal floodplain forest

Science.gov (United States)

Kaplan, D.; Muñoz-Carpena, R.

2011-02-01

SummaryRestoration of degraded floodplain forests requires a robust understanding of surface water, groundwater, and vadose zone hydrology. Soil moisture is of particular importance for seed germination and seedling survival, but is difficult to monitor and often overlooked in wetland restoration studies. This research hypothesizes that the complex effects of surface water and shallow groundwater on the soil moisture dynamics of floodplain wetlands are spatially complementary. To test this hypothesis, 31 long-term (4-year) hydrological time series were collected in the floodplain of the Loxahatchee River (Florida, USA), where watershed modifications have led to reduced freshwater flow, altered hydroperiod and salinity, and a degraded ecosystem. Dynamic factor analysis (DFA), a time series dimension reduction technique, was applied to model temporal and spatial variation in 12 soil moisture time series as linear combinations of common trends (representing shared, but unexplained, variability) and explanatory variables (selected from 19 additional candidate hydrological time series). The resulting dynamic factor models yielded good predictions of observed soil moisture series (overall coefficient of efficiency = 0.90) by identifying surface water elevation, groundwater elevation, and net recharge (cumulative rainfall-cumulative evapotranspiration) as important explanatory variables. Strong and complementary linear relationships were found between floodplain elevation and surface water effects (slope = 0.72, R2 = 0.86, p < 0.001), and between elevation and groundwater effects (slope = -0.71, R2 = 0.71, p = 0.001), while the effect of net recharge was homogenous across the experimental transect (slope = 0.03, R2 = 0.05, p = 0.242). This study provides a quantitative insight into the spatial structure of groundwater and surface water effects on soil moisture that will be useful for refining monitoring plans and developing ecosystem restoration and management scenarios

Nanoparticles dynamics on a surface: fractal pattern formation and fragmentation

DEFF Research Database (Denmark)

Dick, Veronika V.; Solov'yov, Ilia; Solov'yov, Andrey V.

2010-01-01

In this paper we review our recent results on the formation and the post-growth relaxation processes of nanofractals on surface. For this study we developed a method which describes the internal dynamics of particles in a fractal and accounts for their diffusion and detachment. We demonstrate...... that these kinetic processes determine the final shape of the islands on surface after post-growth relaxation. We consider different scenarios of fractal relaxation and analyze the time evolution of the island's morphology....

In situ analysis of dynamic laminar flow extraction using surface-enhanced Raman spectroscopy

Science.gov (United States)

Wang, Fei; Wang, Hua-Lin; Qiu, Yang; Chang, Yu-Long; Long, Yi-Tao

2015-12-01

In this study, we performed micro-scale dynamic laminar flow extraction and site-specific in situ chloride concentration measurements. Surface-enhanced Raman spectroscopy was utilized to investigate the diffusion process of chloride ions from an oil phase to a water phase under laminar flow. In contrast to common logic, we used SERS intensity gradients of Rhodamine 6G to quantitatively calculate the concentration of chloride ions at specific positions on a microfluidic chip. By varying the fluid flow rates, we achieved different extraction times and therefore different chloride concentrations at specific positions along the microchannel. SERS spectra from the water phase were recorded at these different positions, and the spatial distribution of the SERS signals was used to map the degree of nanoparticle aggregation. The concentration of chloride ions in the channel could therefore be obtained. We conclude that this method can be used to explore the extraction behaviour and efficiency of some ions or molecules that enhance the SERS intensity in water or oil by inducing nanoparticle aggregation.

Surface computing and collaborative analysis work

CERN Document Server

Brown, Judith; Gossage, Stevenson; Hack, Chris

2013-01-01

Large surface computing devices (wall-mounted or tabletop) with touch interfaces and their application to collaborative data analysis, an increasingly important and prevalent activity, is the primary topic of this book. Our goals are to outline the fundamentals of surface computing (a still maturing technology), review relevant work on collaborative data analysis, describe frameworks for understanding collaborative processes, and provide a better understanding of the opportunities for research and development. We describe surfaces as display technologies with which people can interact directly, and emphasize how interaction design changes when designing for large surfaces. We review efforts to use large displays, surfaces or mixed display environments to enable collaborative analytic activity. Collaborative analysis is important in many domains, but to provide concrete examples and a specific focus, we frequently consider analysis work in the security domain, and in particular the challenges security personne...

Analysis methods for fast impurity ion dynamics data

International Nuclear Information System (INIS)

Den Hartog, D.J.; Almagri, A.F.; Prager, S.C.; Fonck, R.J.

1994-08-01

A high resolution spectrometer has been developed and used on the MST reversed-field pinch (RFP) to measure passively impurity ion temperatures and flow velocities with 10 μs temporal resolution. Such measurements of MHD-scale fluctuations are particularly relevant in the RFP because the flow velocity fluctuation induced transport of current (the ''MHD dynamo'') may produce the magnetic field reversal characteristic of an RFP. This instrument will also be used to measure rapid changes in the equilibrium flow velocity, such as occur during locking and H-mode transition. The precision of measurements made to date is <0.6 km/s. The authors are developing accurate analysis techniques appropriate to the reduction of this fast ion dynamics data. Moment analysis and curve-fitting routines have been evaluated for noise sensitivity and robustness. Also presented is an analysis method which correctly separates the flux-surface average of the correlated fluctuations in u and B from the fluctuations due to rigid shifts of the plasma column

Ultrafast surface carrier dynamics in the topological insulator Bi₂Te₃.

Science.gov (United States)

Hajlaoui, M; Papalazarou, E; Mauchain, J; Lantz, G; Moisan, N; Boschetto, D; Jiang, Z; Miotkowski, I; Chen, Y P; Taleb-Ibrahimi, A; Perfetti, L; Marsi, M

2012-07-11

We discuss the ultrafast evolution of the surface electronic structure of the topological insulator Bi(2)Te(3) following a femtosecond laser excitation. Using time and angle-resolved photoelectron spectroscopy, we provide a direct real-time visualization of the transient carrier population of both the surface states and the bulk conduction band. We find that the thermalization of the surface states is initially determined by interband scattering from the bulk conduction band, lasting for about 0.5 ps; subsequently, few picoseconds are necessary for the Dirac cone nonequilibrium electrons to recover a Fermi-Dirac distribution, while their relaxation extends over more than 10 ps. The surface sensitivity of our measurements makes it possible to estimate the range of the bulk-surface interband scattering channel, indicating that the process is effective over a distance of 5 nm or less. This establishes a correlation between the nanoscale thickness of the bulk charge reservoir and the evolution of the ultrafast carrier dynamics in the surface Dirac cone.

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 analysis and techniques in biology

CERN Document Server

Smentkowski, Vincent S

2014-01-01

This book highlights state-of-the-art surface analytical instrumentation, advanced data analysis tools, and the use of complimentary surface analytical instrumentation to perform a complete analysis of biological systems.

Dynamical analysis of highly excited molecular spectra

Energy Technology Data Exchange (ETDEWEB)

Kellman, M.E. [Univ. of Oregon, Eugene (United States)

1993-12-01

The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

Scenario development, qualitative causal analysis and system dynamics

Directory of Open Access Journals (Sweden)

Michael H. Ruge

2009-02-01

Full Text Available The aim of this article is to demonstrate that technology assessments can be supported by methods such as scenario modeling and qualitative causal analysis. At Siemens, these techniques are used to develop preliminary purely qualitative models. These or parts of these comprehensive models may be extended to system dynamics models. While it is currently not possible to automatically generate a system dynamics models (or vice versa, obtain a qualitative simulation model from a system dynamics model, the two thechniques scenario development and qualitative causal analysis provide valuable indications on how to proceed towards a system dynamics model. For the qualitative analysis phase, the Siemens – proprietary prototype Computer – Aided Technology Assessment Software (CATS supportes complete cycle and submodel analysis. Keywords: Health care, telecommucations, qualitative model, sensitivity analysis, system dynamics.

Dynamic surface tracking controller design for a constrained hypersonic vehicle based on disturbance observer

Directory of Open Access Journals (Sweden)

Fang Wang

2017-05-01

Full Text Available The tracking control problem of a flexible air-breathing hypersonic vehicle subjects to aerodynamic parameter uncertainty and input constraint is investigated by combining nonlinear disturbance observer and dynamic surface control. To design controller simply, a control-oriented model is firstly derived and divided into two subsystems, velocity subsystem and altitude subsystem based on the engineering backgrounds of flexible air-breathing hypersonic vehicle. In every subsystem, compounded disturbances are included to consider aerodynamic uncertainty and the effect of the flexible modes. Then, disturbance observer is not only used to handle the compounded disturbance but also to handle the input constraint, where the estimation error converges to a random small region through appropriately choosing the observer parameters. To sequel, the disturbance observer–based robust control scheme and the disturbance observer-based dynamic surface control scheme are developed for the velocity subsystem and altitude subsystem, respectively. Besides, novel filters are designed to alleviate the problem of “explosion of terms” induced by backstepping method. On the basis of Lyapunov stability theory, the presented control scheme can assure that tracking error converges to an arbitrarily small neighborhood around zero by rigorous theoretical analysis. At last, simulation result shows the effectiveness of the presented control method.

Dynamical properties of tertiarybutylarsine on GaAs(0 0 1) surface

CERN Document Server

Ozeki, M; Tanaka, Y

2002-01-01

The dynamical properties of tertiarybutylarsine (TBA) was studied on GaAs(0 0 1) surface using a supersonic molecular beam. The temperature and incident energy dependence of the reflected beam revealed a reaction channel of TBA on GaAs surface with a large decrease in the activation energy from 2.7 to 1.8 eV as the incident energy increases from 0.04 to 2.5 eV.

Image-based rendering of intersecting surfaces for dynamic comparative visualization

NARCIS (Netherlands)

Busking, S.; Botha, C.P.; Ferrarini, L.; Milles, J.; Post, F.H.

2010-01-01

Nested or intersecting surfaces are proven techniques for visualizing shape differences between static 3D objects (Weigle and Taylor II, IEEE Visualization, Proceedings, pp. 503–510, 2005). In this paper we present an image-based formulation for these techniques that extends their use to dynamic

A Method for Extracting the Free Energy Surface and Conformational Dynamics of Fast-Folding Proteins from Single Molecule Photon Trajectories

Science.gov (United States)

2015-01-01

Single molecule fluorescence spectroscopy holds the promise of providing direct measurements of protein folding free energy landscapes and conformational motions. However, fulfilling this promise has been prevented by technical limitations, most notably, the difficulty in analyzing the small packets of photons per millisecond that are typically recorded from individual biomolecules. Such limitation impairs the ability to accurately determine conformational distributions and resolve sub-millisecond processes. Here we develop an analytical procedure for extracting the conformational distribution and dynamics of fast-folding proteins directly from time-stamped photon arrival trajectories produced by single molecule FRET experiments. Our procedure combines the maximum likelihood analysis originally developed by Gopich and Szabo with a statistical mechanical model that describes protein folding as diffusion on a one-dimensional free energy surface. Using stochastic kinetic simulations, we thoroughly tested the performance of the method in identifying diverse fast-folding scenarios, ranging from two-state to one-state downhill folding, as a function of relevant experimental variables such as photon count rate, amount of input data, and background noise. The tests demonstrate that the analysis can accurately retrieve the original one-dimensional free energy surface and microsecond folding dynamics in spite of the sub-megahertz photon count rates and significant background noise levels of current single molecule fluorescence experiments. Therefore, our approach provides a powerful tool for the quantitative analysis of single molecule FRET experiments of fast protein folding that is also potentially extensible to the analysis of any other biomolecular process governed by sub-millisecond conformational dynamics. PMID:25988351

Session 6: Dynamic Modeling and Systems Analysis

Science.gov (United States)

Csank, Jeffrey; Chapman, Jeffryes; May, Ryan

2013-01-01

These presentations cover some of the ongoing work in dynamic modeling and dynamic systems analysis. The first presentation discusses dynamic systems analysis and how to integrate dynamic performance information into the systems analysis. The ability to evaluate the dynamic performance of an engine design may allow tradeoffs between the dynamic performance and operability of a design resulting in a more efficient engine design. The second presentation discusses the Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS). T-MATS is a Simulation system with a library containing the basic building blocks that can be used to create dynamic Thermodynamic Systems. Some of the key features include Turbo machinery components, such as turbines, compressors, etc., and basic control system blocks. T-MAT is written in the Matlab-Simulink environment and is open source software. The third presentation focuses on getting additional performance from the engine by allowing the limit regulators only to be active when a limit is danger of being violated. Typical aircraft engine control architecture is based on MINMAX scheme, which is designed to keep engine operating within prescribed mechanical/operational safety limits. Using a conditionally active min-max limit regulator scheme, additional performance can be gained by disabling non-relevant limit regulators

Analysis of structure and vibrational dynamics of the BeTe(001) surface using X-ray diffraction, Raman spectroscopy, and density functional theory

DEFF Research Database (Denmark)

Kumpf, C.; Müller, A.; Weigand, W.

2003-01-01

The atomic structure and lattice dynamics of epitaxial BeTe(001) thin films are derived from surface x-ray diffraction and Raman spectroscopy. On the Te-rich BeTe(001) surface [1 (1) over bar0]-oriented Te dimers are identified. They cause a (2 X 1) superstructure and induce a pronounced buckling...... in the underlying Te layer. The Be-rich surface exhibits a (4 X 1) periodicity with alternating Te dimers and Te-Be-Te trimers. A vibration eigenfrequency of 165 cm(-1) is observed for the Te-rich surface, while eigenmodes at 157 and 188 cm(-1) are found for the Be-rich surface. The experimentally derived atomic...... geometry and the vibration modes are in very good agreement with the results of density functional theory calculations....

Dynamics of liquid nitrogen cooling process of solid surface at wetting contact coefficient

International Nuclear Information System (INIS)

Smakulski, P; Pietrowicz, S

2015-01-01

Liquid cryogens cooling by direct contact is very often used as a method for decreasing the temperature of electronic devices or equipment i.e. HTS cables. Somehow, cooldown process conducted in that way could not be optimized, because of cryogen pool boiling characteristic and low value of the heat transfer coefficient. One of the possibilities to increase the efficiency of heat transfer, as well as the efficiency of cooling itself, it is to use a spray cooling method. The paper shows dynamics analysis of liquid nitrogen cooling solid surface process. The model of heat transfer for the single droplet of liquid nitrogen, which hits on a flat and smooth surface with respect to the different Weber numbers, is shown. Temperature profiles in calculation domains are presented, as well as the required cooling time. The numerical calculations are performed for different initial and boundary conditions, to study how the wetting contact coefficient is changing, and how it contributed to heat transfer between solid and liquid cryogen. (paper)

Dynamic Contingency Analysis Tool

Energy Technology Data Exchange (ETDEWEB)

2016-01-14

The Dynamic Contingency Analysis Tool (DCAT) is an open-platform and publicly available methodology to help develop applications that aim to improve the capabilities of power system planning engineers to assess the impact and likelihood of extreme contingencies and potential cascading events across their systems and interconnections. Outputs from the DCAT will help find mitigation solutions to reduce the risk of cascading outages in technically sound and effective ways. The current prototype DCAT implementation has been developed as a Python code that accesses the simulation functions of the Siemens PSS/E planning tool (PSS/E). It has the following features: It uses a hybrid dynamic and steady-state approach to simulating the cascading outage sequences that includes fast dynamic and slower steady-state events. It integrates dynamic models with protection scheme models for generation, transmission, and load. It models special protection systems (SPSs)/remedial action schemes (RASs) and automatic and manual corrective actions. Overall, the DCAT attempts to bridge multiple gaps in cascading-outage analysis in a single, unique prototype tool capable of automatically simulating and analyzing cascading sequences in real systems using multiprocessor computers.While the DCAT has been implemented using PSS/E in Phase I of the study, other commercial software packages with similar capabilities can be used within the DCAT framework.

Performance enhanced design of chaos controller for the mechanical centrifugal flywheel governor system via adaptive dynamic surface control

Directory of Open Access Journals (Sweden)

Shaohua Luo

2016-09-01

Full Text Available This paper addresses chaos suppression of the mechanical centrifugal flywheel governor system with output constraint and fully unknown parameters via adaptive dynamic surface control. To have a certain understanding of chaotic nature of the mechanical centrifugal flywheel governor system and subsequently design its controller, the useful tools like the phase diagrams and corresponding time histories are employed. By using tangent barrier Lyapunov function, a dynamic surface control scheme with neural network and tracking differentiator is developed to transform chaos oscillation into regular motion and the output constraint rule is not broken in whole process. Plugging second-order tracking differentiator into chaos controller tackles the “explosion of complexity” of backstepping and improves the accuracy in contrast with the first-order filter. Meanwhile, Chebyshev neural network with adaptive law whose input only depends on a subset of Chebyshev polynomials is derived to learn the behavior of unknown dynamics. The boundedness of all signals of the closed-loop system is verified in stability analysis. Finally, the results of numerical simulations illustrate effectiveness and exhibit the superior performance of the proposed scheme by comparing with the existing ADSC method.

He atom surface spectroscopy: Surface lattice dynamics of insulators, metals and metal overlayers

International Nuclear Information System (INIS)

1990-01-01

During the first three years of this grant (1985--1988) the effort was devoted to the construction of a state-of-the-art He atom scattering (HAS) instrument which would be capable of determining the structure and dynamics of metallic, semiconductor or insulator crystal surfaces. The second three year grant period (1988--1991) has been dedicated to measurements. The construction of the instrument went better than proposed; it was within budget, finished in the proposed time and of better sensitivity and resolution than originally planned. The same success has been carried over to the measurement phase where the concentration has been on studies of insulator surfaces, as discussed in this paper. The experiments of the past three years have focused primarily on the alkali halides with a more recent shift to metal oxide crystal surfaces. Both elastic and inelastic scattering experiments were carried out on LiF, NaI, NaCl, RbCl, KBr, RbBr, RbI, CsF, CsI and with some preliminary work on NiO and MgO

Analysis of current-driven oscillatory dynamics of single-layer homoepitaxial islands on crystalline conducting substrates

Science.gov (United States)

Dasgupta, Dwaipayan; Kumar, Ashish; Maroudas, Dimitrios

2018-03-01

We report results of a systematic study on the complex oscillatory current-driven dynamics of single-layer homoepitaxial islands on crystalline substrate surfaces and the dependence of this driven dynamical behavior on important physical parameters, including island size, substrate surface orientation, and direction of externally applied electric field. The analysis is based on a nonlinear model of driven island edge morphological evolution that accounts for curvature-driven edge diffusion, edge electromigration, and edge diffusional anisotropy. Using a linear theory of island edge morphological stability, we calculate a critical island size at which the island's equilibrium edge shape becomes unstable, which sets a lower bound for the onset of time-periodic oscillatory dynamical response. Using direct dynamical simulations, we study the edge morphological dynamics of current-driven single-layer islands at larger-than-critical size, and determine the actual island size at which the migrating islands undergo a transition from steady to time-periodic asymptotic states through a subcritical Hopf bifurcation. At the highest symmetry of diffusional anisotropy examined, on {111} surfaces of face-centered cubic crystalline substrates, we find that more complex stable oscillatory states can be reached through period-doubling bifurcation at island sizes larger than those at the Hopf points. We characterize in detail the island morphology and dynamical response at the stable time-periodic asymptotic states, determine the range of stability of these oscillatory states terminated by island breakup, and explain the morphological features of the stable oscillating islands on the basis of linear stability theory.

Quantum chemical molecular dynamical investigation of alkyl nitrite photo-dissociated on copper surfaces

International Nuclear Information System (INIS)

Wang Xiaojing; Wang Wei; Han Peilin; Kubo, Momoji; Miyamoto, Akira

2008-01-01

An accelerated quantum chemical molecular dynamical code 'Colors-Excite' was used to investigate the photolysis of alkyl nitrites series, RONO (R=CH 3 and C(CH 3 ) 3 ) on copper surfaces. Our calculations showed that the photo-dissociated processes are associated with the alkyl substituents of RONO when adsorbed on copper surfaces. For R=CH 3 , a two-step photolysis reaction occurred, yielding diverse intermediate products including RO radical, NO, and HNO, consistent with those reported in gas phase. While for R=C(CH 3 ) 3 , only one-step photolysis reaction occurred and gave intermediate products of RO radical and NO. Consequently, pure RO species were achieved to adsorb on metal surfaces by removing the NO species in photolysis reaction. The detailed photo-dissociated behaviors of RONO on copper surfaces with different alkyl substituents which are uncovered by the present simulation can be extended to explain the diverse dissociative mechanism experimentally observed. The quantum chemical molecular dynamical code 'Colors-Excite' is proved to be highly applicable to the photo-dissociations on metal surfaces

Desorption dynamics of deuterium molecules from the Si(100)-(3×1) dideuteride surface

OpenAIRE

Niida, T; Tsurumaki, Hiroshi; Namiki, Akira

2006-01-01

We measured polar angle ()-resolved time-of-flight spectra of D2 molecules desorbing from the Si(100)-(3×1) dideuteride surface. The desorbing D2 molecules exhibit a considerable translational heating with mean desorption kinetic energies of 0.25 eV, which is mostly independent of the desorption angles for 0°30°. The observed desorption dynamics of deuterium was discussed along the principle of detailed balance to predict their adsorption dynamics onto the monohydride Si surface.

Characterizing interstate vibrational coherent dynamics of surface adsorbed catalysts by fourth-order 3D SFG spectroscopy

Science.gov (United States)

Li, Yingmin; Wang, Jiaxi; Clark, Melissa L.; Kubiak, Clifford P.; Xiong, Wei

2016-04-01

We report the first fourth-order 3D SFG spectroscopy of a monolayer of the catalyst Re(diCN-bpy)(CO)3Cl on a gold surface. Besides measuring the vibrational coherences of single vibrational modes, the fourth-order 3D SFG spectrum also measures the dynamics of interstate coherences and vibrational coherences states between two vibrational modes. By comparing the 3D SFG to the corresponding 2D and third-order 3D IR spectroscopy of the same molecules in solution, we found that the interstate coherences exist in both liquid and surface systems, suggesting that the interstate coherence is not disrupted by surface interactions. However, by analyzing the 3D spectral lineshape, we found that the interstate coherences also experience non-negligible homogenous dephasing dynamics that originate from surface interactions. This unique ability of determining interstate vibrational coherence dynamics of the molecular monolayer can help in understanding of how energy flows within surface catalysts and other molecular monolayers.

Molecular dynamic simulations of the high-speed copper nanoparticles collision with the aluminum surface

Science.gov (United States)

Pogorelko, V. V.; Mayer, A. E.

2016-11-01

With the use of the molecular dynamic simulations, we investigated the effect of the high-speed (500 m/s, 1000 m/s) copper nanoparticle impact on the mechanical properties of an aluminum surface. Dislocation analysis shows that a large number of dislocations are formed in the impact area; the total length of dislocations is determined not only by the speed and size of the incoming copper nanoparticle (kinetic energy of the nanoparticle), but by a temperature of the system as well. The dislocations occupy the whole area of the aluminum single crystal at high kinetic energy of the nanoparticle. With the decrease of the nanoparticle kinetic energy, the dislocation structures are formed in the near-surface layer; formation of the dislocation loops takes place. Temperature rise of the system (aluminum substrate + nanoparticle) reduces the total dislocation length in the single crystal of aluminum; there is deeper penetration of the copper atoms in the aluminum at high temperatures. Average energy of the nanoparticles and room temperature of the system are optimal for production of high-quality layers of copper on the aluminum surface.

An Optimization Method for Virtual Globe Ocean Surface Dynamic Visualization

Directory of Open Access Journals (Sweden)

HUANG Wumeng

2016-12-01

Full Text Available The existing visualization method in the virtual globe mainly uses the projection grid to organize the ocean grid. This special grid organization has the defects in reflecting the difference characteristics of different ocean areas. The method of global ocean visualization based on global discrete grid can make up the defect of the projection grid method by matching with the discrete space of the virtual globe, so it is more suitable for the virtual ocean surface simulation application.But the available global discrete grids method has many problems which limiting its application such as the low efficiency of rendering and loading, the need of repairing grid crevices. To this point, we propose an optimization for the global discrete grids method. At first, a GPU-oriented multi-scale grid model of ocean surface which develops on the foundation of global discrete grids was designed to organize and manage the ocean surface grids. Then, in order to achieve the wind-drive wave dynamic rendering, this paper proposes a dynamic wave rendering method based on the multi-scale ocean surface grid model to support real-time wind field updating. At the same time, considering the effect of repairing grid crevices on the system efficiency, this paper presents an efficient method for repairing ocean surface grid crevices based on the characteristics of ocean grid and GPU technology. At last, the feasibility and validity of the method are verified by the comparison experiment. The experimental results show that the proposed method is efficient, stable and fast, and can compensate for the lack of function of the existing methods, so the application range is more extensive.

Offshore pipelaying dynamics

Energy Technology Data Exchange (ETDEWEB)

Jensen, Gullik Anthon

2010-02-15

This thesis considers three issues regarding modeling of of offshore pipe laying dynamics. These are: (i) the formulation of an offshore pipeline installation operation as a control problem, (ii) the development and passivity analysis of a robotic pipe model for a submerged pipe string, suitable for real-time applications in closed- loop control systems, and (iii) the development and validation of a nonlinear FEM model for simulation and control of the elastic pipeline dynamics, including FEM dynamics of a pipeline combined with vessel dynamics, for simulation and control of pipe lay operations under dynamic positioning Pipeline installation is defined as the operation of positioning a pipeline along a reference path on the seabed from a surface vessel. In control terms, this can be stated as a path-following control problem, where the pipe touchdown point tracks the reference path. However, the only controllers for the touchdown point are the pay-out of pipe into the water, and the motion of the surface vessel. Considering that the pipe is an elastic body, and that both the pipe and the vessel are subject to environmental loads, the control problem that must be considered is a dynamic target-tracking problem, where the surface vessel must track a moving target position on the surface in order to control the position of the touchdown point. A target-tracking controller may be implemented as a guidance system, by extending the dynamic positioning system that is common for pipe lay vessels. An important component in the guidance system is the dynamic pipe model mapping touchdown and surface vessel position. Motivated by robotics, a compact system formulation is derived for the suspended pipeline by considering it as a hyper-redundant manipulator with an arbitrary number of links. This model captures the main dynamics of the pipe, including its geometric configuration and top tension. The model is in the state- space, and on a vectorial form using minimal coordinates

Dynamic analysis of a hollow cylinder subject to a dual traveling force imposed on its inner surface

Science.gov (United States)

Lee, Sooyoung; Seok, Jongwon

2015-03-01

The dynamic behavior of a hollow cylinder under a dual traveling force applied to the inner surface is investigated in this study. The cylinder is constrained at both the top and bottom surfaces not to move in the length direction but free in other directions. And a dual force travels at a constant velocity along the length direction on the inner surface of the hollow cylinder. The resulting governing field equations and the associated boundary conditions are ruled by the general Hooke's law. Due to the nature of the field equations, proper adjoint system of equations and biorthogonality conditions were derived in a precise and detailed manner. To solve these field equations in this study, the method of separation of variable is used and the method of Fro¨benius is employed for the differential equations in the radial direction. Using the field equations, the eigenanalyses on both the original and its adjoint system were performed with great care, which results in the eigenfunction sets of both systems. The biorthogonality conditions were applied to the field equations to obtain the discretized equation for each mode. Using the solutions of the discretized equations that account for the boundary forcing terms, the critical speed for a dual traveling force for each mode could be computed.

Influence of chemistry on wetting dynamics of nanotextured hydrophobic surfaces.

Science.gov (United States)

Di Mundo, Rosa; Palumbo, Fabio; d'Agostino, Riccardo

2010-04-06

In this work, the role of a chemical parameter, such as the degree of fluorination, on the wetting behavior of nanotextured hydrophobic surfaces is investigated. Texture and chemistry tuning of the surfaces has been accomplished with single batch radiofrequency low-pressure plasma processes. Polystyrene substrates have been textured by CF(4) plasma etching and subsequently covered by thin films with a tunable F-to-C ratio, obtained in discharges fed with C(4)F(8)-C(2)H(4). Measurements of wetting dynamics reveal a regime transition from adhesive-hydrophobic to slippery-superhydrophobic, i.e., from wet to non wet states, as the F-to-C rises at constant topography. Such achievements are strengthened by calculation of the solid fraction of surface water contact area applying Cassie-Baxter advancing and receding equations to water contact angle data of textured and flat reference surfaces.

He atom-surface scattering: Surface dynamics of insulators, overlayers and crystal growth

International Nuclear Information System (INIS)

1992-01-01

Investigations in this laboratory have focused on the surface structure and dynamics of ionic insulators and on epitaxial growth onto alkali halide crystals. In the later the homoepitaxial growth of NaCl/NaCl(001) and the heteroepitaxial growth of KBr/NaCl(001), NaCl/KBr(001) and KBr/RbCl(001) have been studied by monitoring the specular He scattering as a function of the coverage and by measuring the angular and energy distributions of the scattered He atoms. These data provide information on the surface structure, defect densities, island sizes and surface strain during the layer-by-layer growth. The temperature dependence of these measurements also provides information on the mobilities of the admolecules. He atom scattering is unique among surface probes because the low-energy, inert atoms are sensitive only to the electronic structure of the topmost surface layer and are equally applicable to all crystalline materials. It is proposed for the next year to exploit further the variety of combinations possible with the alkali halides in order to carry out a definitive study of epitaxial growth in the ionic insulators. The work completed so far, including measurements of the Bragg diffraction and surface dispersion at various stages of growth, appears to be exceptionally rich in detail, which is particularly promising for theoretical modeling. In addition, because epitaxial growth conditions over a wide range of lattice mismatches is possible with these materials, size effects in growth processes can be explored in great depth. Further, as some of the alkali halides have the CsCl structure instead of the NaCl structure, we can investigate the effects of the heteroepitaxy with materials having different lattice preferences. Finally, by using co-deposition of different alkali halides, one can investigate the formation and stability of alloys and even alkali halide superlattices

Dynamics and Instabilities of Free Surface and Vortex Flows

DEFF Research Database (Denmark)

Tophøj, Laust Emil Hjerrild

2012-01-01

This PhD thesis consists of two main parts. The first part describes the dynamics of an ideal fluid on a stationary free surface of a given shape. It turns out that one can formulate a set of self-contained equations of momentum conservation for the tangential flow, with no reference to the flow ......)]. Finally, an experimental work on elastic collisions of wet spheres is briefly discussed....

Palo Verde nuclear dynamic analysis (PANDA)

International Nuclear Information System (INIS)

Girjashankar, P.V.; Secker, P.A. Jr.; LeClair, S.J.; Mendoza, J.; Webb, J.R.

1988-01-01

Arizona Nuclear Power Project (ANPP) has initiated the development of a large scale dynamic analysis computer program for the Palo Verde Nuclear Generating Station (PVNGS). This paper presents the decision processes and preliminary development activities that have been pursued related to the code development. The PANDA (Palo Verde Nuclear Dynamic Analysis) code will be used for a variety of applications as described in this paper

Formulation of dynamical theory of X-ray diffraction for perfect crystals in the Laue case using the Riemann surface.

Science.gov (United States)

Saka, Takashi

2016-05-01

The dynamical theory for perfect crystals in the Laue case was reformulated using the Riemann surface, as used in complex analysis. In the two-beam approximation, each branch of the dispersion surface is specified by one sheet of the Riemann surface. The characteristic features of the dispersion surface are analytically revealed using four parameters, which are the real and imaginary parts of two quantities specifying the degree of departure from the exact Bragg condition and the reflection strength. By representing these parameters on complex planes, these characteristics can be graphically depicted on the Riemann surface. In the conventional case, the absorption is small and the real part of the reflection strength is large, so the formulation is the same as the traditional analysis. However, when the real part of the reflection strength is small or zero, the two branches of the dispersion surface cross, and the dispersion relationship becomes similar to that of the Bragg case. This is because the geometrical relationships among the parameters are similar in both cases. The present analytical method is generally applicable, irrespective of the magnitudes of the parameters. Furthermore, the present method analytically revealed many characteristic features of the dispersion surface and will be quite instructive for further numerical calculations of rocking curves.

The Community Surface Dynamics Modeling System: Experiences on Building a Collaborative Modeling Platform

Science.gov (United States)

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

2012-12-01

The Community Surface Dynamics Modeling System - CSDMS- develops a software platform with shared and coupled modules for modeling earth surface processes as a community resource. The framework allows prediction of water, sediment and nutrient transport through the landscape and seacape. The underlying paradigm is that the Earth surface we live on is a dynamic system; topography changes with seasons, with landslides and earthquakes, with erosion and deposition. The Earth Surface changes due to storms and floods, and important boundaries, like the coast, are ever-moving features. CSDMS sets out to make better predictions of these changes. Earth surface process modeling bridges the terrestrial, coastal and marine domains and requires understanding of the system over a range of time scales, which inherently needs interdisciplinarity. Members of CSDMS (~830 in July 2012) are largely from academic institutions (˜75%), followed by federal agencies (˜17%), and oil and gas companies (˜5%). Members and governmental bodies meet once annually and rely additionally on web-based information for communication. As an organization that relies on volunteer participation, CSDMS faces challenges to scientific collaboration. Encouraging volunteerism among its members to provide and adapt metadata and model code to be sufficiently standardized for coupling is crucial to building an integrated community modeling system. We here present CSDMS strategies aimed at providing the appropriate technical tools and cyberinfrastructure to support a variety of user types, ranging from advanced to novice modelers. Application of these advances in science is key, both into the educational realm and for managers and decision-makers. We discuss some of the implemented ideas to further organizational transparency and user engagement in small-scale governance, such as advanced trackers and voting systems for model development prioritization through the CSDMS wiki. We analyzed data on community

DNSC08 mean sea surface and mean dynamic topography models

DEFF Research Database (Denmark)

Andersen, Ole Baltazar; Knudsen, Per

2009-01-01

-2004. It is the first global MSS without a polar gap including all of the Arctic Ocean by including laser altimetry from the ICESat mission. The mean dynamic topography (MDT) is the quantity that bridges the geoid and the mean sea surface constraining large-scale ocean circulation. Here we present a new high...

Computational fluid dynamics analysis of a maglev centrifugal left ventricular assist device.

Science.gov (United States)

Burgreen, Greg W; Loree, Howard M; Bourque, Kevin; Dague, Charles; Poirier, Victor L; Farrar, David; Hampton, Edward; Wu, Z Jon; Gempp, Thomas M; Schöb, Reto

2004-10-01

The fluid dynamics of the Thoratec HeartMate III (Thoratec Corp., Pleasanton, CA, U.S.A.) left ventricular assist device are analyzed over a range of physiological operating conditions. The HeartMate III is a centrifugal flow pump with a magnetically suspended rotor. The complete pump was analyzed using computational fluid dynamics (CFD) analysis and experimental particle imaging flow visualization (PIFV). A comparison of CFD predictions to experimental imaging shows good agreement. Both CFD and experimental PIFV confirmed well-behaved flow fields in the main components of the HeartMate III pump: inlet, volute, and outlet. The HeartMate III is shown to exhibit clean flow features and good surface washing across its entire operating range.

Theory of the reaction dynamics of small molecules on metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Jackson, Bret [Univ. of Massachusetts, Amherst, MA (United States)

2016-09-09

The objective of this project has been to develop realistic theoretical models for gas-surface interactions, with a focus on processes important in heterogeneous catalysis. The dissociative chemisorption of a molecule on a metal is a key step in many catalyzed reactions, and is often the rate-limiting step. We have explored the dissociative chemisorption of H₂, H₂O and CH₄ on a variety of metal surfaces. Most recently, our extensive studies of methane dissociation on Ni and Pt surfaces have fully elucidated its dependence on translational energy, vibrational state and surface temperature, providing the first accurate comparisons with experimental data. We have explored Eley-Rideal and hot atom reactions of H atoms with H- and C-covered metal surfaces. H atom interactions with graphite have also been explored, including both sticking and Eley-Rideal recombination processes. Again, our methods made it possible to explain several experiments studying these reactions. The sticking of atoms on metal surfaces has also been studied. To help elucidate the experiments that study these processes, we examine how the reaction dynamics depend upon the nature of the molecule-metal interaction, as well as experimental variables such as substrate temperature, beam energy, angle of impact, and the internal states of the molecules. Electronic structure methods based on Density Functional Theory are used to compute each molecule-metal potential energy surface. Both time-dependent quantum scattering techniques and quasi-classical methods are used to examine the reaction or scattering dynamics. Much of our effort has been directed towards developing improved quantum methods that can accurately describe reactions, as well as include the effects of substrate temperature (lattice vibration).

Anomalous water dynamics at surfaces and interfaces: synergistic effects of confinement and surface interactions

Science.gov (United States)

Biswas, Rajib; Bagchi, Biman

2018-01-01

In nature, water is often found in contact with surfaces that are extended on the scale of molecule size but small on a macroscopic scale. Examples include lipid bilayers and reverse micelles as well as biomolecules like proteins, DNA and zeolites, to name a few. While the presence of surfaces and interfaces interrupts the continuous hydrogen bond network of liquid water, confinement on a mesoscopic scale introduces new features. Even when extended on a molecular scale, natural and biological surfaces often have features (like charge, hydrophobicity) that vary on the scale of the molecular diameter of water. As a result, many new and exotic features, which are not seen in the bulk, appear in the dynamics of water close to the surface. These different behaviors bear the signature of both water-surface interactions and of confinement. In other words, the altered properties are the result of the synergistic effects of surface-water interactions and confinement. Ultrafast spectroscopy, theoretical modeling and computer simulations together form powerful synergistic approaches towards an understanding of the properties of confined water in such systems as nanocavities, reverse micelles (RMs), water inside and outside biomolecules like proteins and DNA, and also between two hydrophobic walls. We shall review the experimental results and place them in the context of theory and simulations. For water confined within RMs, we discuss the possible interference effects propagating from opposite surfaces. Similar interference is found to give rise to an effective attractive force between two hydrophobic surfaces immersed and kept fixed at a separation of d, with the force showing an exponential dependence on this distance. For protein and DNA hydration, we shall examine a multitude of timescales that arise from frustration effects due to the inherent heterogeneity of these surfaces. We pay particular attention to the role of orientational correlations and modification of the

Static Analysis of Dynamic Languages

DEFF Research Database (Denmark)

Madsen, Magnus

Dynamic programming languages are highly popular and widely used. Java- Script is often called the lingua franca of the web and it is the de facto standard for client-side web programming. On the server-side the PHP, Python and Ruby languages are prevalent. What these languages have in common...... with static type systems, such as Java and C# , but the same features are rarely available for dynamic languages such as JavaScript. The aim of this thesis is to investigate techniques for improving the tool- support for dynamic programming languages without imposing any artificial restrictions...... of new dataflow analysis techniques to tackle the nature of dynamic programming languages....

Quantum State-Resolved Collision Dynamics of Nitric Oxide at Ionic Liquid and Molten Metal Surfaces

Science.gov (United States)

Zutz, Amelia Marie

Detailed molecular scale interactions at the gas-liquid interface are explored with quantum state-to-state resolved scattering of a jet-cooled beam of NO(2pi1/2; N = 0) from ionic liquid and molten metal surfaces. The scattered distributions are probed via laser-induced fluorescence methods, which yield rotational and spin-orbit state populations that elucidate the dynamics of energy transfer at the gas-liquid interface. These collision dynamics are explored as a function of incident collision energy, surface temperature, scattering angle, and liquid identity, all of which are found to substantially affect the degree of rotational, electronic and vibrational excitation of NO via collisions at the liquid surface. Rotational distributions observed reveal two distinct scattering pathways, (i) molecules that trap, thermalize and eventually desorb from the surface (trapping-desorption, TD), and (ii) those that undergo prompt recoil (impulsive scattering, IS) prior to complete equilibration with the liquid surface. Thermally desorbing NO molecules are found to have rotational temperatures close to, but slightly cooler than the surface temperature, indicative of rotational dependent sticking probabilities on liquid surfaces. Nitric oxide is a radical with multiple low-lying electronic states that serves as an ideal candidate for exploring nonadiabatic state-changing collision dynamics at the gas-liquid interface, which induce significant excitation from ground (2pi1/2) to excited (2pi 3/2) spin-orbit states. Molecular beam scattering of supersonically cooled NO from hot molten metals (Ga and Au, Ts = 300 - 1400 K) is also explored, which provide preliminary evidence for vibrational excitation of NO mediated by thermally populated electron-hole pairs in the hot, conducting liquid metals. The results highlight the presence of electronically nonadiabatic effects and build toward a more complete characterization of energy transfer dynamics at gas-liquid interfaces.

Friction and Surface Dynamics of Polymers on the Nanoscale by AFM

NARCIS (Netherlands)

Schönherr, Holger; Schónherr, Holger; Samori, Paolo; Tocha, E.; Vancso, Gyula J.

2008-01-01

In this article the measurement and understanding of friction forces and surface dynamics of polymers on the one hand and the importance of molecular relaxation processes and viscoelasticity in polymers for advanced micro- and nanoscale applications on the other hand are discussed. Particular

Evaporation dynamics of completely wetting drops on geometrically textured surfaces

Science.gov (United States)

Mekhitarian, Loucine; Sobac, Benjamin; Dehaeck, Sam; Haut, Benoît; Colinet, Pierre

2017-10-01

This study deals with the evaporation dynamics of completely wetting and highly volatile drops deposited on geometrically textured but chemically homogeneous surfaces. The texturation consists in a cylindrical pillars array with a square pitch. The triple line dynamics and the drop shape are characterized by an interferometric method. A parametric study is realized by varying the radius and the height of the pillars (at fixed interpillar distance), allowing to distinguish three types of dynamics: i) an evaporation-dominated regime with a receding triple line; ii) a spreading-dominated regime with an initially advancing triple line; iii) a cross-over region with strong pinning effects. The overall picture is in qualitative agreement with a mathematical model showing that the selected regime mostly depends on the value of a dimensionless parameter comparing the time scales for evaporation and spreading into the substrate texture.

PHOTOGRAMMETRIC TECHNIQUES FOR ROAD SURFACE ANALYSIS

Directory of Open Access Journals (Sweden)

V. A. Knyaz

2016-06-01

Full Text Available The quality and condition of a road surface is of great importance for convenience and safety of driving. So the investigations of the behaviour of road materials in laboratory conditions and monitoring of existing roads are widely fulfilled for controlling a geometric parameters and detecting defects in the road surface. Photogrammetry as accurate non-contact measuring method provides powerful means for solving different tasks in road surface reconstruction and analysis. The range of dimensions concerned in road surface analysis can have great variation from tenths of millimetre to hundreds meters and more. So a set of techniques is needed to meet all requirements of road parameters estimation. Two photogrammetric techniques for road surface analysis are presented: for accurate measuring of road pavement and for road surface reconstruction based on imagery obtained from unmanned aerial vehicle. The first technique uses photogrammetric system based on structured light for fast and accurate surface 3D reconstruction and it allows analysing the characteristics of road texture and monitoring the pavement behaviour. The second technique provides dense 3D model road suitable for road macro parameters estimation.

Surface ablation with iris recognition and dynamic rotational eye tracking-based tissue saving treatment with the Technolas 217z excimer laser.

Science.gov (United States)

Prakash, Gaurav; Agarwal, Amar; Kumar, Dhivya Ashok; Jacob, Soosan; Agarwal, Athiya; Maity, Amrita

2011-03-01

To evaluate the visual and refractive outcomes and expected benefits of Tissue Saving Treatment algorithm-guided surface ablation with iris recognition and dynamic rotational eye tracking. This prospective, interventional case series comprised 122 eyes (70 patients). Pre- and postoperative assessment included uncorrected distance visual acuity (UDVA), corrected distance visual acuity (CDVA), refraction, and higher order aberrations. All patients underwent Tissue Saving Treatment algorithm-guided surface ablation with iris recognition and dynamic rotational eye tracking using the Technolas 217z 100-Hz excimer platform (Technolas Perfect Vision GmbH). Follow-up was performed up to 6 months postoperatively. Theoretical benefit analysis was performed to evaluate the algorithm's outcomes compared to others. Preoperative spherocylindrical power was sphere -3.62 ± 1.60 diopters (D) (range: 0 to -6.75 D), cylinder -1.15 ± 1.00 D (range: 0 to -3.50 D), and spherical equivalent -4.19 ± 1.60 D (range: -7.75 to -2.00 D). At 6 months, 91% (111/122) of eyes were within ± 0.50 D of attempted correction. Postoperative UDVA was comparable to preoperative CDVA at 1 month (P=.47) and progressively improved at 6 months (P=.004). Two eyes lost one line of CDVA at 6 months. Theoretical benefit analysis revealed that of 101 eyes with astigmatism, 29 would have had cyclotorsion-induced astigmatism of ≥ 10% if iris recognition and dynamic rotational eye tracking were not used. Furthermore, the mean percentage decrease in maximum depth of ablation by using the Tissue Saving Treatment was 11.8 ± 2.9% over Aspheric, 17.8 ± 6.2% over Personalized, and 18.2 ± 2.8% over Planoscan algorithms. Tissue saving surface ablation with iris recognition and dynamic rotational eye tracking was safe and effective in this series of eyes. Copyright 2011, SLACK Incorporated.

Dynamic Wetting Behavior of Vibrated Droplets on a Micropillared Surface

Directory of Open Access Journals (Sweden)

Zhi-hai Jia

2016-01-01

Full Text Available The dynamical wetting behavior has been observed under vertical vibration of a water droplet placed on a micropillared surface. The wetting transition takes place under the different processes. In compression process, the droplet is transited from Cassie state to Wenzel state. The droplet undergoes a Wenzel-Cassie wetting transition in restoring process and the droplet bounces off from the surface in bouncing process. Meanwhile, the wetting and dewetting models during vibration are proposed. The wetting transition is confirmed by the model calculation. This study has potential to be used to control the wetting state.

Analysing Surface Exposure to Climate Dynamics in the Himalayas to Adopt a Planning Framework for Landslide Risk Reduction

Science.gov (United States)

Tiwari, A.

2017-12-01

Himalayas rank first in the inventory of most densely populated and congested high altitude mountain regions of the planet. The region is mostly characterized by inadequate infrastructure, lack of mitigation tools along with constraints of terrain undermining the carrying capacity and resilience of urban ecosystems. Moreover, climate change has increased vulnerability of poor and marginalized population living in rapidly urbanizing mountain towns to increased frequency and severity of risks from extreme weather events. Such events pose multifold threat by easily translating to hazards, without the ability to respond and mitigate. Additionally, the recent extreme climate dynamics such as rainfall patterns have influenced the natural rate of surface/slope processes in the Himalaya. The aim of the study was to analyze the extent of interaction between climate dynamics and upland surface to develop participatory planning framework for landslide risk reduction using Integral Geographic Information System (integral GIS). At this stage, the study is limited to only rainfall triggered landslides (RTL). The study region lies in the middle Himalayan range (Himachal). Research utilized terrain analysis tools in integral GIS and identified risk susceptible surface without: 1.adding to its (often) complex fragmentation, and 2. Interference in surface/slope processes. Analysis covered most of the relevant surface factors including geology, slope instability, infrastructure development, natural and urban drainage system, land-cover and land-use as well. The outcome included an exposure-reduced model of existing terrain and the surface-process accommodated by it, with the use of local technical tools available among the poor and fragile mountain community. The final participatory planning framework successfully harmonized people's perception and adaptation knowledge, and incorporated priorities of local authorities. This research is significant as it rises above the fundamental

Examining Urban Impervious Surface Distribution and Its Dynamic Change in Hangzhou Metropolis

Directory of Open Access Journals (Sweden)

Longwei Li

2016-03-01

Full Text Available Analysis of urban distribution and its expansion using remote sensing data has received increasing attention in the past three decades, but little research has examined spatial patterns of urban distribution and expansion with buffer zones in different directions. This research selected Hangzhou metropolis as a case study to analyze spatial patterns and dynamic changes based on time-series urban impervious surface area (ISA datasets. ISA was developed from Landsat imagery between 1991 and 2014 using a hybrid approach consisting of linear spectral mixture analysis, decision tree classifiers, and post-processing. The spatial patterns of ISA distribution and its dynamic changes in eight directions—east, southeast, south, southwest, west, northwest, north, and northeast—at the temporal scale were analyzed with a buffer zone-based approach. This research indicated that ISA can be extracted from Landsat imagery with both producer and user accuracies of over 90%. ISA in Hangzhou metropolis increased from 146 km2 in 1991 to 868 km2 in 2014. Annual ISA growth rates were between 15.6 km2 and 48.8 km2 with the lowest growth rate in 1994–2000 and the highest growth rate in 2005–2010. Urban ISA increase before 2000 was mainly due to infilling within the urban landscape, and, after 2005, due to urban expansion in the urban-rural interfaces. Urban expansion in this study area has different characteristics in various directions that are influenced by topographic factors and urban development policies.

Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

Science.gov (United States)

Ge, Zhenpeng; Wang, Yi

2017-04-20

Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

Dynamic growth of slip surfaces in catastrophic landslides.

Science.gov (United States)

Germanovich, Leonid N; Kim, Sihyun; Puzrin, Alexander M

2016-01-01

This work considers a landslide caused by the shear band that emerges along the potential slip (rupture) surface. The material above the band slides downwards, causing the band to grow along the slope. This growth may first be stable (progressive), but eventually becomes dynamic (catastrophic). The landslide body acquires a finite velocity before it separates from the substrata. The corresponding initial-boundary value problem for a dynamic shear band is formulated within the framework of Palmer & Rice's ( Proc. R. Soc. Lond. A 332 , 527-548. (doi:10.1098/rspa.1973.0040)) approach, which is generalized to the dynamic case. We obtain the exact, closed-form solution for the band velocity and slip rate. This solution assesses when the slope fails owing to a limiting condition near the propagating tip of the shear band. Our results are applicable to both submarine and subaerial landslides of this type. It appears that neglecting dynamic (inertia) effects can lead to a significant underestimation of the slide size, and that the volumes of catastrophic slides can exceed the volumes of progressive slides by nearly a factor of 2. As examples, we consider the Gaviota and Humboldt slides offshore of California, and discuss landslides in normally consolidated sediments and sensitive clays. In particular, it is conceivable that Humboldt slide is unfinished and may still displace a large volume of sediments, which could generate a considerable tsunami. We show that in the case of submarine slides, the effect of water resistance on the shear band dynamics may frequently be limited during the slope failure stage. For a varying slope angle, we formulate a condition of slide cessation.

Soil dynamics and accelerated erosion: a sensitivity analysis of the LPJ Dynamic vegetation model

Science.gov (United States)

Bouchoms, Samuel; Van Oost, Kristof; Vanacker, Veerle; Kaplan, Jed O.; Vanwalleghem, Tom

2013-04-01

It is widely accepted that humans have become a major geomorphic force by disturbing natural vegetation patterns. Land conversion for agriculture purposes removes the protection of soils by the natural vegetation and leads to increased soil erosion by one to two orders of magnitude, breaking the balance that exists between the loss of soils and its production. Accelerated erosion and deposition have a strong influence on evolution and heterogeneity of basic soil characteristics (soil thickness, hydrology, horizon development,…) as well as on organic matter storage and cycling. Yet, since they are operating at a long time scale, those processes are not represented in state-of-art Dynamic Global Vegetation Models, which is a clear lack when exploring vegetation dynamics over past centuries. The main objectives of this paper are (i) to test the sensitivity of a Dynamic Global Vegetation Model, in terms of NPP and organic matter turnover, variations in state variables in response to accelerated erosion and (ii) to assess the performance of the model under the impact of erosion for a case-study in Central Spain. We evaluated the Lund-Postdam-Jena Dynamic Vegetation Model (LPJ DVGM) (Sitch et al, 2003) which simulates vegetation growth and carbon pools at the surface and in the soil based on climatic, pedologic and topographic variables. We assessed its reactions to changes in key soil properties that are affected by erosion such as texture and soil depth. We present the results of where we manipulated soil texture and bulk density while keeping the environmental drivers of climate, slope and altitude constant. For parameters exhibiting a strong control on NPP or SOM, a factorial analysis was conducted to test for interaction effects. The simulations show an important dependence on the clay content, especially for the slow cycling carbon pools and the biomass production, though the underground litter seems to be mostly influenced by the silt content. The fast cycling C

Prime implicants in dynamic reliability analysis

International Nuclear Information System (INIS)

Tyrväinen, Tero

2016-01-01

This paper develops an improved definition of a prime implicant for the needs of dynamic reliability analysis. Reliability analyses often aim to identify minimal cut sets or prime implicants, which are minimal conditions that cause an undesired top event, such as a system's failure. Dynamic reliability analysis methods take the time-dependent behaviour of a system into account. This means that the state of a component can change in the analysed time frame and prime implicants can include the failure of a component at different time points. There can also be dynamic constraints on a component's behaviour. For example, a component can be non-repairable in the given time frame. If a non-repairable component needs to be failed at a certain time point to cause the top event, we consider that the condition that it is failed at the latest possible time point is minimal, and the condition in which it fails earlier non-minimal. The traditional definition of a prime implicant does not account for this type of time-related minimality. In this paper, a new definition is introduced and illustrated using a dynamic flowgraph methodology model. - Highlights: • A new definition of a prime implicant is developed for dynamic reliability analysis. • The new definition takes time-related minimality into account. • The new definition is needed in dynamic flowgraph methodology. • Results can be represented by a smaller number of prime implicants.

Surface Dynamic Process Simulation with the Use of Cellular Automata

International Nuclear Information System (INIS)

Adamska-Szatko, M.; Bala, J.

2010-01-01

Cellular automata are known for many applications, especially for physical and biological simulations. Universal cellular automata can be used for modelling complex natural phenomena. The paper presents simulation of surface dynamic process. Simulation uses 2-dimensional cellular automata algorithm. Modelling and visualisation were created by in-house developed software with standard OpenGL graphic library. (authors)

Comparison of molecular dynamics and kinetic modeling of gas-surface interactions

NARCIS (Netherlands)

Frezzotti, A.; Gaastra - Nedea, S.V.; Markvoort, A.J.; Spijker, P.; Gibelli, L.

2008-01-01

The interaction of a dilute monatomic gas with a solid surface is studied byMolecular Dynamics (MD) simulations and by numerical solutions of a recently proposed kinetic model. Following previous investigations, the heat transport between parallel walls and Couette flow have been adopted as test

Dynamics of a Rydberg hydrogen atom near a metal surface in the electron-extraction scheme

Energy Technology Data Exchange (ETDEWEB)

Iñarrea, Manuel [Área de Física Aplicada, Universidad de La Rioja, Logroño (Spain); Lanchares, Víctor [Departamento de Matemáticas y Computación, Universidad de La Rioja, Logroño, La Rioja (Spain); Palacián, Jesús [Departamento de Ingeniería Matemática e Informática, Universidad Pública de Navarra, Pamplona (Spain); Pascual, Ana I. [Departamento de Matemáticas y Computación, Universidad de La Rioja, Logroño, La Rioja (Spain); Salas, J. Pablo, E-mail: josepablo.salas@unirioja.es [Área de Física Aplicada, Universidad de La Rioja, Logroño (Spain); Yanguas, Patricia [Departamento de Ingeniería Matemática e Informática, Universidad Pública de Navarra, Pamplona (Spain)

2015-01-23

We study the classical dynamics of a Rydberg hydrogen atom near a metal surface in the presence of a constant electric field in the electron-extraction situation [1], e.g., when the field attracts the electron to the vacuum. From a dynamical point of view, this field configuration provides a dynamics richer than in the usual ion-extraction scheme, because, depending on the values of field and the atom–surface distance, the atom can be ionized only towards the metal surface, only to the vacuum or to the both sides. The evolution of the phase space structure as a function of the atom–surface distance is explored in the bound regime of the atom. In the high energy regime, the ionization mechanism is also investigated. We find that the classical results of this work are in good agreement with the results obtained in the wave-packet propagation study carried out by So et al. [1]. - Highlights: • We study a classical hydrogen atom near a metal surface plus a electric field. • We explore the phase space structure as a function of the field strength. • We find most of the electronic orbits are oriented along the field direction. • We study the ionization of the atom for several atom–surface distances. • This classical study is in good agreement with the quantum results.

Molecular dynamics simulation of temperature effects on low energy near-surface cascades and surface damage in Cu

Science.gov (United States)

Zhu, Guo; Sun, Jiangping; Guo, Xiongxiong; Zou, Xixi; Zhang, Libin; Gan, Zhiyin

2017-06-01

The temperature effects on near-surface cascades and surface damage in Cu(0 0 1) surface under 500 eV argon ion bombardment were studied using molecular dynamics (MD) method. In present MD model, substrate system was fully relaxed for 1 ns and a read-restart scheme was introduced to save total computation time. The temperature dependence of damage production was calculated. The evolution of near-surface cascades and spatial distribution of adatoms at varying temperature were analyzed and compared. It was found that near-surface vacancies increased with temperature, which was mainly due to the fact that more atoms initially located in top two layers became adatoms with the decrease of surface binding energy. Moreover, with the increase of temperature, displacement cascades altered from channeling-like structure to branching structure, and the length of collision sequence decreased gradually, because a larger portion of energy of primary knock-on atom (PKA) was scattered out of focused chain. Furthermore, increasing temperature reduced the anisotropy of distribution of adatoms, which can be ascribed to that regular registry of surface lattice atoms was changed with the increase of thermal vibration amplitude of surface atoms.

Molecular dynamics simulation of temperature effects on low energy near-surface cascades and surface damage in Cu

Energy Technology Data Exchange (ETDEWEB)

Zhu, Guo; Sun, Jiangping; Guo, Xiongxiong; Zou, Xixi; Zhang, Libin; Gan, Zhiyin, E-mail: ganzhiyin@126.com

2017-06-15

The temperature effects on near-surface cascades and surface damage in Cu(0 0 1) surface under 500 eV argon ion bombardment were studied using molecular dynamics (MD) method. In present MD model, substrate system was fully relaxed for 1 ns and a read-restart scheme was introduced to save total computation time. The temperature dependence of damage production was calculated. The evolution of near-surface cascades and spatial distribution of adatoms at varying temperature were analyzed and compared. It was found that near-surface vacancies increased with temperature, which was mainly due to the fact that more atoms initially located in top two layers became adatoms with the decrease of surface binding energy. Moreover, with the increase of temperature, displacement cascades altered from channeling-like structure to branching structure, and the length of collision sequence decreased gradually, because a larger portion of energy of primary knock-on atom (PKA) was scattered out of focused chain. Furthermore, increasing temperature reduced the anisotropy of distribution of adatoms, which can be ascribed to that regular registry of surface lattice atoms was changed with the increase of thermal vibration amplitude of surface atoms.

GPI-anchored protein organization and dynamics at the cell surface.

Science.gov (United States)

Saha, Suvrajit; Anilkumar, Anupama Ambika; Mayor, Satyajit

2016-02-01

The surface of eukaryotic cells is a multi-component fluid bilayer in which glycosylphosphatidylinositol (GPI)-anchored proteins are an abundant constituent. In this review, we discuss the complex nature of the organization and dynamics of GPI-anchored proteins at multiple spatial and temporal scales. Different biophysical techniques have been utilized for understanding this organization, including fluorescence correlation spectroscopy, fluorescence recovery after photobleaching, single particle tracking, and a number of super resolution methods. Major insights into the organization and dynamics have also come from exploring the short-range interactions of GPI-anchored proteins by fluorescence (or Förster) resonance energy transfer microscopy. Based on the nanometer to micron scale organization, at the microsecond to the second time scale dynamics, a picture of the membrane bilayer emerges where the lipid bilayer appears inextricably intertwined with the underlying dynamic cytoskeleton. These observations have prompted a revision of the current models of plasma membrane organization, and suggest an active actin-membrane composite. Copyright © 2016 by the American Society for Biochemistry and Molecular Biology, Inc.

Development of a dynamic model for cleaning ultra filtration membranes fouled by surface water

NARCIS (Netherlands)

Zondervan, Edwin; Betlem, Ben H.L.; Roffel, Brian

2007-01-01

In this paper, a dynamic model for cleaning ultra filtration membranes fouled by surface water is proposed. A model that captures the dynamics well is valuable for the optimization of the cleaning process. The proposed model is based on component balances and contains three parameters that can be

Modelling and investigation of partial wetting surfaces for drop dynamics using lattice Boltzmann method

Energy Technology Data Exchange (ETDEWEB)

Pravinraj, T., E-mail: pravinraj1711@gmail.com; Patrikar, Rajendra

2017-07-01

Highlights: • A LBM model on partial wetting surface for droplet dynamics is presented by introducing a simple initial partial wetting boundary condition in SC model. • With our approach one can tune the splitting volume and time by carefully choosing strip width and position. • It is shown that the droplet spreading on chemically heterogeneous surfaces can be controlled not only by Weber number but also by tuning strip width ratio. • The directional transportation of a droplet due to chemical wetting gradient is simulated and analyzed using hybrid thermodynamic-image processing technique. • Microstructure surface and its influence on the directional wetting based transportation of droplet are demonstrated. - Abstract: Partial wetting surfaces and its influence on the droplet movement of micro and nano scale being contemplated for many useful applications. The dynamics of the droplet usually analyzed with a multiphase lattice Boltzmann method (LBM). In this paper, the influence of partial wetting surface on the dynamics of droplet is systematically analyzed for various cases. Splitting of droplets due to chemical gradient of the surface is studied and analyses of splitting time for various widths of the strips for different Weber numbers are computed. With the proposed model one can tune the splitting volume and time by carefully choosing a strip width and droplet position. The droplet spreading on chemically heterogeneous surfaces shows that the spreading can be controlled not only by parameters of Weber number but also by tuning strip width ratio. The transportation of the droplet from hydrophobic surface to hydrophilic surface due to chemical gradient is simulated and analyzed using our hybrid thermodynamic-image processing technique. The results prove that with the progress of time the surface free energy decreases with increase in spreading area. Finally, the transportation of a droplet on microstructure gradient is demonstrated. The model explains

NASA-VOF2D, 2-D Transient Free Surface Incompressible Fluid Dynamic

International Nuclear Information System (INIS)

Torrey, M.D.

1988-01-01

1 - Description of program or function: NASA-VOF2D is a two- dimensional, transient, free surface incompressible fluid dynamics program. It allows multiple free surfaces with surface tension and wall adhesion forces and has a partial cell treatment which allows curved boundaries and interior obstacles. 2 - Method of solution: NASA-VOF2D simulates incompressible flows with free surfaces using the volume-of-fluid (VOF) algorithm. This technique is based on the use of donor-acceptor differencing to track the free surface across an Eulerian grid. The complete Navier-Stokes equations in primitive variables for an incompressible fluid are solved by finite differences with surface tension and wall adhesion included. Optionally the pressure equation can be solved by a conjugate residual method rather than the successive over-relaxation (SOR) method

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

Directory of Open Access Journals (Sweden)

Shutthanandan V

2008-06-01

Full Text Available Abstract Molybdenum disulfide (MoS2, a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia. The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM, scanning electron microscopy (SEM, transmission electron microscopy (TEM, Rutherford backscattering spectrometry (RBS, and nuclear reaction analysis (NRA. Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400°C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics.

Science.gov (United States)

Ramana, C V; Becker, U; Shutthanandan, V; Julien, C M

2008-06-05

Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia.The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), and nuclear reaction analysis (NRA).Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400 degrees C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and significant

Dynamic Event Tree Analysis Through RAVEN

Energy Technology Data Exchange (ETDEWEB)

A. Alfonsi; C. Rabiti; D. Mandelli; J. Cogliati; R. A. Kinoshita; A. Naviglio

2013-09-01

Conventional Event-Tree (ET) based methodologies are extensively used as tools to perform reliability and safety assessment of complex and critical engineering systems. One of the disadvantages of these methods is that timing/sequencing of events and system dynamics is not explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (D-PRA), have been developed. Monte-Carlo (MC) and Dynamic Event Tree (DET) are two of the most widely used D-PRA methodologies to perform safety assessment of Nuclear Power Plants (NPP). In the past two years, the Idaho National Laboratory (INL) has developed its own tool to perform Dynamic PRA: RAVEN (Reactor Analysis and Virtual control ENvironment). RAVEN has been designed in a high modular and pluggable way in order to enable easy integration of different programming languages (i.e., C++, Python) and coupling with other application including the ones based on the MOOSE framework, developed by INL as well. RAVEN performs two main tasks: 1) control logic driver for the new Thermo-Hydraulic code RELAP-7 and 2) post-processing tool. In the first task, RAVEN acts as a deterministic controller in which the set of control logic laws (user defined) monitors the RELAP-7 simulation and controls the activation of specific systems. Moreover, RAVEN also models stochastic events, such as components failures, and performs uncertainty quantification. Such stochastic modeling is employed by using both MC and DET algorithms. In the second task, RAVEN processes the large amount of data generated by RELAP-7 using data-mining based algorithms. This paper focuses on the first task and shows how it is possible to perform the analysis of dynamic stochastic systems using the newly developed RAVEN DET capability. As an example, the Dynamic PRA analysis, using Dynamic Event Tree, of a simplified pressurized water reactor for a Station Black-Out scenario is presented.

Development of evaluation method on flow-induced vibration and corrosion of components in two-phase flow by coupled analysis. 5. Evaluation of wall thinning rate with the coupled model of static electrochemical analysis and dynamic double oxide layer analysis

International Nuclear Information System (INIS)

Uchida, Shunsuke; Naitoh, Masanori; Okada, Hidetoshi; Uehara, Yasushi

2008-01-01

Wall thinning rates due to FAC were calculated with the coupled model of static electrochemical analysis and dynamic double oxide layer analysis at the identified danger zone. Anodic and cathodic current densities and ECPs were calculated with the static electrochemistry model and ferrous ion release rate determined by the anodic current density was used as input for the dynamic double oxide layer model. Thickness of oxide film and its characteristics determined by the dynamic double oxide layer model were used for the electrochemistry model to determine the resistances of cathodic current from the bulk to the surface and anodic current from the surface to the bulk. Two models were coupled to determine local corrosion rate and ECP for various corrosive conditions. The calculated results of the coupled models had good agreement with the measured ones. (author)

Understanding dynamics using sensitivity analysis: caveat and solution

Science.gov (United States)

2011-01-01

Background Parametric sensitivity analysis (PSA) has become one of the most commonly used tools in computational systems biology, in which the sensitivity coefficients are used to study the parametric dependence of biological models. As many of these models describe dynamical behaviour of biological systems, the PSA has subsequently been used to elucidate important cellular processes that regulate this dynamics. However, in this paper, we show that the PSA coefficients are not suitable in inferring the mechanisms by which dynamical behaviour arises and in fact it can even lead to incorrect conclusions. Results A careful interpretation of parametric perturbations used in the PSA is presented here to explain the issue of using this analysis in inferring dynamics. In short, the PSA coefficients quantify the integrated change in the system behaviour due to persistent parametric perturbations, and thus the dynamical information of when a parameter perturbation matters is lost. To get around this issue, we present a new sensitivity analysis based on impulse perturbations on system parameters, which is named impulse parametric sensitivity analysis (iPSA). The inability of PSA and the efficacy of iPSA in revealing mechanistic information of a dynamical system are illustrated using two examples involving switch activation. Conclusions The interpretation of the PSA coefficients of dynamical systems should take into account the persistent nature of parametric perturbations involved in the derivation of this analysis. The application of PSA to identify the controlling mechanism of dynamical behaviour can be misleading. By using impulse perturbations, introduced at different times, the iPSA provides the necessary information to understand how dynamics is achieved, i.e. which parameters are essential and when they become important. PMID:21406095

Effects of surface and interface traps on exciton and multi-exciton dynamics in core/shell quantum dots

Science.gov (United States)

Bozio, Renato; Righetto, Marcello; Minotto, Alessandro

2017-08-01

Exciton interactions and dynamics are the most important factors determining the exceptional photophysical properties of semiconductor quantum dots (QDs). In particular, best performances have been obtained for ingeniously engineered core/shell QDs. We have studied two factors entering in the exciton decay dynamics with adverse effects for the luminescence efficiency: exciton trapping at surface and interface traps, and non-radiative Auger recombination in QDs carrying either net charges or multiple excitons. In this work, we present a detailed study into the optical absorption, fluorescence dynamics and quantum yield, as well as ultrafast transient absorption properties of CdSe/CdS, CdSe/Cd0.5Zn0.5S, and CdSe/ZnS QDs as a function of shell thickness. It turns out that de-trapping processes play a pivotal role in determining steady state emission properties. By studying the excitation dependent photoluminescence quantum yields (PLQY) in different CdSe/CdxZn1-xS (x = 0, 0.5, 1) QDs, we demonstrate the different role played by hot and cold carrier trapping rates in determining fluorescence quantum yields. Finally, the use of global analysis allows us untangling the complex ultrafast transient absorption signals. Smoothing of interface potential, together with effective surface passivation, appear to be crucial factors in slowing down both Auger-based and exciton trapping recombination processes.

A laboratory investigation of mixing dynamics between biofuels and surface waters

Science.gov (United States)

Wang, Xiaoxiang; Cotel, Aline

2017-11-01

Recently, production and usage of ethanol-blend fuels or biofuels have increased dramatically along with increasing risk of spilling into surface waters. Lack of understanding of the environmental impacts and absence of standard clean-up procedures make it crucial to study the mixing behavior between biofuels and water. Biofuels are represented by a solution of ethanol and glycol. A Plexiglas tank in conjunction with a wave generator is used to simulate the mixing of surface waters and biofuels under different natural conditions. In our previous experiments, two distinct mixing regimes were observed. One regime was driven by turbulence and the other by interfacial instabilities. However, under more realistic situations, without wind driven waves, only the first mixing regime was found. After one minute of rapid turbulent mixing, biofuels and water were fully mixed and no interface was formed. During the mixing process, chemical reactions happened simultaneously and influenced mixing dynamics. Current experiments are investigating the effect of waves on the mixing dynamics. Support from NSF CBET 1335878.

Comparison of Analysis and Spectral Nudging Techniques for Dynamical Downscaling with the WRF Model over China

Directory of Open Access Journals (Sweden)

Yuanyuan Ma

2016-01-01

Full Text Available To overcome the problem that the horizontal resolution of global climate models may be too low to resolve features which are important at the regional or local scales, dynamical downscaling has been extensively used. However, dynamical downscaling results generally drift away from large-scale driving fields. The nudging technique can be used to balance the performance of dynamical downscaling at large and small scales, but the performances of the two nudging techniques (analysis nudging and spectral nudging are debated. Moreover, dynamical downscaling is now performed at the convection-permitting scale to reduce the parameterization uncertainty and obtain the finer resolution. To compare the performances of the two nudging techniques in this study, three sensitivity experiments (with no nudging, analysis nudging, and spectral nudging covering a period of two months with a grid spacing of 6 km over continental China are conducted to downscale the 1-degree National Centers for Environmental Prediction (NCEP dataset with the Weather Research and Forecasting (WRF model. Compared with observations, the results show that both of the nudging experiments decrease the bias of conventional meteorological elements near the surface and at different heights during the process of dynamical downscaling. However, spectral nudging outperforms analysis nudging for predicting precipitation, and analysis nudging outperforms spectral nudging for the simulation of air humidity and wind speed.

Molecular Dynamics Simulations of Slip on Curved Surfaces

Directory of Open Access Journals (Sweden)

Ross D.A.

2016-07-01

Full Text Available We present Molecular Dynamics (MD simulations of liquid water confined within nanoscale geometries, including slit-like and cylindrical graphitic pores. These equilibrium results are used for calculating friction coefficients, which in turn can be used to calculate slip lengths. The slip length is a material property independent of the fluid flow rate. It is therefore a better quantity for study than the fluid velocity at the wall, also known as the slip velocity. Once the slip length has been found as a function of surface curvature, it can be used to parameterise Lattice Boltzmann (LB simulations. These larger scale simulations are able to tell us about how fluid transport is affected by slip in complex geometries; not just limited to single pores. Applications include flow and transport in nano-porous engine valve deposits and gas shales. The friction coefficient is found to be a function of curvature and is higher for fluid on convex surfaces and lower for concave surfaces. Both concave and convex surfaces approach the same value of the friction coefficient, which is constant above some critical radius of curvature, here found to be 7.4 ± 2.9 nm. The constant value of the friction coefficient is 10,000 ± 600 kg m−2 s−1, which is equivalent to a slip length of approximately 67 ± 4 nm.

Enabling dynamics in face analysis

NARCIS (Netherlands)

Dibeklioğlu, H.

2014-01-01

Most of the approaches in automatic face analysis rely solely on static appearance. However, temporal analysis of expressions reveals interesting patterns. For a better understanding of the human face, this thesis focuses on temporal changes in the face, and dynamic patterns of expressions. In

H(D) → D(H) + Cu(111) collision system: molecular dynamics study of surface temperature effects.

Science.gov (United States)

Vurdu, Can D; Güvenç, Ziya B

2011-04-28

All the channels of the reaction dynamics of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Cu(111) surface have been studied by quasiclassical constant energy molecular dynamics simulations. The surface is flexible and is prepared at different temperature values, such as 30 K, 94 K, and 160 K. The adsorbates were distributed randomly on the surface to create 0.18 ML, 0.28 ML, and 0.50 ML of coverages. The multi-layer slab is mimicked by a many-body embedded-atom potential energy function. The slab atoms can move according to the exerted external forces. Treating the slab atoms non-rigid has an important effect on the dynamics of the projectile atom and adsorbates. Significant energy transfer from the projectile atom to the surface lattice atoms takes place especially during the first impact that modifies significantly the details of the dynamics of the collisions. Effects of the different temperatures of the slab are investigated in this study. Interaction between the surface atoms and the adsorbates is modeled by a modified London-Eyring-Polanyi-Sato (LEPS) function. The LEPS parameters are determined by using the total energy values which were calculated by a density functional theory and a generalized gradient approximation for an exchange-correlation energy for many different orientations, and locations of one- and two-hydrogen atoms on the Cu(111) surface. The rms value of the fitting procedure is about 0.16 eV. Many different channels of the processes on the surface have been examined, such as inelastic reflection of the incident hydrogen, subsurface penetration of the incident projectile and adsorbates, sticking of the incident atom on the surface. In addition, hot-atom and Eley-Rideal direct processes are investigated. The hot-atom process is found to be more significant than the Eley-Rideal process. Furthermore, the rate of subsurface penetration is larger than the sticking rate on the surface. In addition, these results are compared and

Thermodiffusion as a means to manipulate liquid film dynamics on chemically patterned surfaces.

Science.gov (United States)

Kalpathy, Sreeram K; Shreyes, Amrita Ravi

2017-06-07

The model problem examined here is the stability of a thin liquid film consisting of two miscible components, resting on a chemically patterned solid substrate and heated from below. In addition to surface tension gradients, the temperature variations also induce gradients in the concentration of the film by virtue of thermodiffusion/Soret effects. We study the stability and dewetting behaviour due to the coupled interplay between thermal gradients, Soret effects, long-range van der Waals forces, and wettability gradient-driven flows. Linear stability analysis is first employed to predict growth rates and the critical Marangoni number for chemically homogeneous surfaces. Then, nonlinear simulations are performed to unravel the interfacial dynamics and possible locations of the film rupture on chemically patterned substrates. Results suggest that appropriate tuning of the Soret parameter and its direction, in conjunction with either heating or cooling, can help manipulate the location and time scales of the film rupture. The Soret effect can either potentially aid or oppose film instability depending on whether the thermal and solutal contributions to flow are cooperative or opposed to each other.

Molecular dynamics simulation of wetting behaviors of Li on W surfaces

Energy Technology Data Exchange (ETDEWEB)

Sun, Xuegui [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Xiao, Shifang [Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082 (China); Deng, Huiqiu, E-mail: hqdeng@hnu.edu.cn [Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082 (China); Hu, Wangyu, E-mail: wyuhu@hnu.edu.cn [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China)

2017-04-15

A modified analytic embedded atom potential has been developed for the Li-W system. The potential has been fitted to physical quantities derived from density functional theory calculations. It is shown that the new potential is capable of reproducing the solubility of solid solution for Li-W systems. The wetting behaviors between solid tungsten and liquid Li are examined by using molecular dynamics simulations. The MD simulation results for the Li droplet wetting on the W surface illustrated that our MAEAM potential model has a good forecasting ability for the contact angle of liquid Li on W the cleaning surface above the wetting temperature. And the results of Li film dewetting from the W surfaces are consistent with relative experimental results. It is believed that the potential can be used to investigate the surfaces wettability of liquid Li on W substrate. We also simulated the lithium droplet on grooved surface. It is shown that the grooving W surfaces can obviously improve the wetting of liquid Li on W surfaces.

Molecular dynamics simulations of water on a hydrophilic silica surface at high air pressures

DEFF Research Database (Denmark)

Zambrano, H.A.; Walther, Jens Honore; Jaffe, R.L.

2014-01-01

Wepresent a force field forMolecular Dynamics (MD) simulations ofwater and air in contactwith an amorphous silica surface. We calibrate the interactions of each species present in the systemusing dedicated criteria such as the contact angle of a water droplet on a silica surface, and the solubility...

Atomistic modeling of metal surfaces under electric fields: direct coupling of electric fields to a molecular dynamics algorithm

CERN Document Server

Djurabekova, Flyura; Pohjonen, Aarne; Nordlund, Kai

2011-01-01

The effect of electric fields on metal surfaces is fairly well studied, resulting in numerous analytical models developed to understand the mechanisms of ionization of surface atoms observed at very high electric fields, as well as the general behavior of a metal surface in this condition. However, the derivation of analytical models does not include explicitly the structural properties of metals, missing the link between the instantaneous effects owing to the applied field and the consequent response observed in the metal surface as a result of an extended application of an electric field. In the present work, we have developed a concurrent electrodynamic–molecular dynamic model for the dynamical simulation of an electric-field effect and subsequent modification of a metal surface in the framework of an atomistic molecular dynamics (MD) approach. The partial charge induced on the surface atoms by the electric field is assessed by applying the classical Gauss law. The electric forces acting on the partially...

Surface current dynamics under sea breeze conditions observed by simultaneous HF radar, ADCP and drifter measurements

Science.gov (United States)

Sentchev, Alexei; Forget, Philippe; Fraunié, Philippe

2017-04-01

Ocean surface boundary layer dynamics off the southern coast of France in the NW Mediterranean is investigated by using velocity observations by high-frequency (HF) radars, surface drifting buoys and a downward-looking drifting acoustic Doppler current profiler (ADCP). The analysis confirms that velocities measured by HF radars correspond to those observed by an ADCP at the effective depth z f = k -1, where k is wavenumber of the radio wave emitted by the radar. The radials provided by the radars were in a very good agreement with in situ measurements, with the relative errors of 1 and 9 % and root mean square (RMS) differences of 0.02 and 0.04 m/s for monostatic and bistatic radar, respectively. The total radar-based velocities appeared to be slightly underestimated in magnitude and somewhat biased in direction. At the end of the survey period, the difference in the surface current direction, based on HF radar and ADCP data, attained 10°. It was demonstrated that the surface boundary layer dynamics cannot be reconstructed successfully without taking into the account velocity variation with depth. A significant misalignment of ˜30° caused by the sea breeze was documented between the HF radar (HFR-derived) surface current and the background current. It was also found that the ocean response to a moderate wind forcing was confined to the 4-m-thick upper layer. The respective Ekman current attained the maximum value of 0.15 m/s, and the current rotation was found to be lagging the wind by approximately 40 min, with the current vector direction being 15-20° to the left of the wind. The range of velocity variability due to wind forcing was found comparable with the magnitude of the background current variability.

Modelling and investigation of partial wetting surfaces for drop dynamics using lattice Boltzmann method

Science.gov (United States)

Pravinraj, T.; Patrikar, Rajendra

2017-07-01

Partial wetting surfaces and its influence on the droplet movement of micro and nano scale being contemplated for many useful applications. The dynamics of the droplet usually analyzed with a multiphase lattice Boltzmann method (LBM). In this paper, the influence of partial wetting surface on the dynamics of droplet is systematically analyzed for various cases. Splitting of droplets due to chemical gradient of the surface is studied and analyses of splitting time for various widths of the strips for different Weber numbers are computed. With the proposed model one can tune the splitting volume and time by carefully choosing a strip width and droplet position. The droplet spreading on chemically heterogeneous surfaces shows that the spreading can be controlled not only by parameters of Weber number but also by tuning strip width ratio. The transportation of the droplet from hydrophobic surface to hydrophilic surface due to chemical gradient is simulated and analyzed using our hybrid thermodynamic-image processing technique. The results prove that with the progress of time the surface free energy decreases with increase in spreading area. Finally, the transportation of a droplet on microstructure gradient is demonstrated. The model explains the temporal behaviour of droplet during the spreading, recoiling and translation along with tracking of contact angle hysteresis phenomenon.

Evaluation of Offshore Wind Turbine Tower Dynamics with Numerical Analysis

Directory of Open Access Journals (Sweden)

Begum Yurdanur Dagli

2018-01-01

Full Text Available A dynamic behaviour of a cylindirical wind tower with variable cross section is investigated under environmental and earthquake forces. The ground acceleration term is represented by a simple cosine function to investigate both normal and parallel components of the earthquake motions located near ground surface. The function of earthquake force is simplified to apply Rayleigh’s energy method. Wind forces acting on above the water level and wave forces acting on below this level are utilized in computations considering earthquake effect for entire structure. The wind force is divided into two groups: the force acting on the tower and the forces acting on the rotor nacelle assembly (RNA. The drag and the inertial wave forces are calculated with water particle velocities and accelerations due to linear wave theory. The resulting hydrodynamic wave force on the tower in an unsteady viscous flow is determined using the Morison equation. The displacement function of the physical system in which dynamic analysis is performed by Rayleigh’s energy method is obtained by the single degree of freedom (SDOF model. The equation of motion is solved by the fourth-order Runge–Kutta method. The two-way FSI (fluid-structure interaction technique was used to determine the accuracy of the numerical analysis. The results of computational fluid dynamics and structural mechanics are coupled in FSI analysis by using ANSYS software. Time-varying lateral displacements and the first natural frequency values which are obtained from Rayleigh’s energy method and FSI technique are compared. The results are presented by graphs. It is observed from these graphs that the Rayleigh model can be an alternative way at the prelimanary stage of the structural analysis with acceptable accuracy.

Enhanced Dynamics of Hydrated tRNA on Nanodiamond Surfaces: A Combined Neutron Scattering and MD Simulation Study.

Science.gov (United States)

Dhindsa, Gurpreet K; Bhowmik, Debsindhu; Goswami, Monojoy; O'Neill, Hugh; Mamontov, Eugene; Sumpter, Bobby G; Hong, Liang; Ganesh, Panchapakesan; Chu, Xiang-Qiang

2016-09-14

Nontoxic, biocompatible nanodiamonds (ND) have recently been implemented in rational, systematic design of optimal therapeutic use in nanomedicines. However, hydrophilicity of the ND surface strongly influences structure and dynamics of biomolecules that restrict in situ applications of ND. Therefore, fundamental understanding of the impact of hydrophilic ND surface on biomolecules at the molecular level is essential. For tRNA, we observe an enhancement of dynamical behavior in the presence of ND contrary to generally observed slow motion at strongly interacting interfaces. We took advantage of neutron scattering experiments and computer simulations to demonstrate this atypical faster dynamics of tRNA on ND surface. The strong attractive interactions between ND, tRNA, and water give rise to unlike dynamical behavior and structural changes of tRNA in front of ND compared to without ND. Our new findings may provide new design principles for safer, improved drug delivery platforms.

TENSOR CALCULUS with applications to Differential Theory of Surfaces and Dynamics

DEFF Research Database (Denmark)

Nielsen, Søren R. K.

The present outline on tensor calculus with special application to differential theory of surfaces and dynamics represents a modified and extended version of a lecture note written by the author as an introduction to a course on shell theory given together with Ph.D. Jesper Winther Stærdahl...

Optimizing conjunctive use of surface water and groundwater resources with stochastic dynamic programming

DEFF Research Database (Denmark)

Davidsen, Claus; Liu, Suxia; Mo, Xinguo

2014-01-01

. A stochastic dynamic programming (SDP) approach is used to minimize the basin-wide total costs arising from water allocations and water curtailments. Dynamic allocation problems with inclusion of groundwater resources proved to be more complex to solve with SDP than pure surface water allocation problems due...... to head-dependent pumping costs. These dynamic pumping costs strongly affect the total costs and can lead to non-convexity of the future cost function. The water user groups (agriculture, industry, domestic) are characterized by inelastic demands and fixed water allocation and water supply curtailment...

Coupling dynamic analysis of spacecraft with multiple cylindrical tanks and flexible appendages

Science.gov (United States)

Wu, Wen-Jun; Yue, Bao-Zeng; Huang, Hua

2016-02-01

This paper is mainly concerned with the coupling dynamic analysis of a complex spacecraft consisting of one main rigid platform, multiple liquid-filled cylindrical tanks, and a number of flexible appendages. Firstly, the carrier potential function equations of liquid in the tanks are deduced according to the wall boundary conditions. Through employing the Fourier-Bessel series expansion method, the dynamic boundaries conditions on a curved free-surface under a low-gravity environment are transformed to general simple differential equations and the rigid-liquid coupled sloshing dynamic state equations of liquid in tanks are obtained. The state vectors of rigid-liquid coupled equations are composed with the modal coordinates of the relative potential function and the modal coordinates of wave height. Based on the Bernoulli-Euler beam theory and the D'Alembert's principle, the rigid-flexible coupled dynamic state equations of flexible appendages are directly derived, and the coordinate transform matrixes of maneuvering flexible appendages are precisely computed as time-varying. Then, the coupling dynamics state equations of the overall system of the spacecraft are modularly built by means of the Lagrange's equations in terms of quasi-coordinates. Lastly, the coupling dynamic performances of a typical complex spacecraft are studied. The availability and reliability of the presented method are also confirmed.

The impact of land use change and hydroclimatic variability on landscape connectivity dynamics across surface water networks at subcontinental scale

Science.gov (United States)

Tulbure, M. G.; Bishop-Taylor, R.; Broich, M.

2017-12-01

Land use (LU) change and hydroclimatic variability affect spatiotemporal landscape connectivity dynamics, important for species movement and dispersal. Despite the fact that LU change can strongly influence dispersal potential over time, prior research has only focused on the impacts of dynamic changes in the distribution of potential habitats. We used 8 time-steps of historical LU together with a Landsat-derived time-series of surface water habitat dynamics (1986-2011) over the Murray-Darling Basin (MDB), a region with extreme hydroclimatic variability, impacted by LU changes. To assess how changing LU and hydroclimatic variability affect landscape connectivity across time, we compared 4 scenarios, namely one where both climate and LU are dynamic over time, one where climate is kept steady (i.e. a median surface water extent layer), and two scenarios where LU is kept steady (i.e. resistance values associated with the most recent or the first LU layer). We used circuit theory to assign landscape features with `resistance' costs and graph theory network analysis, with surface water habitats as `nodes' connected by dispersal paths or `edges' Findings comparing a dry and an average season show high differences in number of nodes (14581 vs 21544) and resistance distances. The combined effect of LU change and landscape wetness was lower than expected, likely a function of the large, MDB-wide, aggregation scale. Spatially explicit analyses are expected to identify areas where the synergistic effect of LU change and landscape wetness greatly reduce or increase landscape connectivity, as well as areas where the two effects cancel each other out.

Using impulses to control the convergence toward invariant surfaces of continuous dynamical systems

International Nuclear Information System (INIS)

Marão, José; Liu Xinzhi; Figueiredo, Annibal

2012-01-01

Let us consider a smooth invariant surface S of a given ordinary differential equations system. In this work we develop an impulsive control method in order to assure that the trajectories of the controlled system converge toward the surface S. The method approach is based on a property of a certain class of invariant surfaces whose the dynamics associated to their transverse directions can be described by a non-autonomous linear system. This fact allows to define an impulsive system which drives the trajectories toward the surface S. Also, we set up a definition of local stability exponents which can be associated to such kind of invariant surface.

The surface analysis methods

International Nuclear Information System (INIS)

Deville, J.P.

1998-01-01

Nowadays, there are a lot of surfaces analysis methods, each having its specificity, its qualities, its constraints (for instance vacuum) and its limits. Expensive in time and in investment, these methods have to be used deliberately. This article appeals to non specialists. It gives some elements of choice according to the studied information, the sensitivity, the use constraints or the answer to a precise question. After having recalled the fundamental principles which govern these analysis methods, based on the interaction between radiations (ultraviolet, X) or particles (ions, electrons) with matter, two methods will be more particularly described: the Auger electron spectroscopy (AES) and x-rays photoemission spectroscopy (ESCA or XPS). Indeed, they are the most widespread methods in laboratories, the easier for use and probably the most productive for the analysis of surface of industrial materials or samples submitted to treatments in aggressive media. (O.M.)

Analysis of dynamic multiplicity fluctuations at PHOBOS

Science.gov (United States)

Chai, Zhengwei; PHOBOS Collaboration; Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Chai, Z.; Decowski, M. P.; García, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Holynski, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tang, J. L.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wolfs, F. L. H.; Wosiek, B.; Wozniak, K.; Wuosmaa, A. H.; Wyslouch, B.

2005-01-01

This paper presents the analysis of the dynamic fluctuations in the inclusive charged particle multiplicity measured by PHOBOS for Au+Au collisions at surdsNN = 200GeV within the pseudo-rapidity range of -3 < η < 3. First the definition of the fluctuations observables used in this analysis is presented, together with the discussion of their physics meaning. Then the procedure for the extraction of dynamic fluctuations is described. Some preliminary results are included to illustrate the correlation features of the fluctuation observable. New dynamic fluctuations results will be available in a later publication.

Dynamical analysis on carbon transfer in liquid metal cooled fast breeder reactor

International Nuclear Information System (INIS)

Kataoka, Tadayuki; Matsumoto, Keishi

1979-01-01

The dynamical analysis was undertaken on the exchange of carbon taking place between the structural steels and sodium for the case of a bi-metallic secondary system constituted of type 304 stainless and 2 1/4Cr-1Mo steels, representing the secondary system of a liquid sodium cooled fast breeder reactor. The analysis brought to light the effects to be expected on the long terms carbon transfer behavior of: (a) the surface areas of structural steels in contact with flowing sodium, (b) the thickness of the sodium-boundary layer, (c) the initial carbon concentration in the sodium, and (d) the rate of carbon contamination of the sodium. (author)

the use of the dynamic magnification factor in the dynamic analysis

African Journals Online (AJOL)

Uncle Greg 4 Real

bridges and some country's codes of practice made specifications in respect of the dynamic magnification factor for the analysis and design of various types of structures subjected to ... span. For example the United kingdom code. [10] presented dynamic magnification factors, related ... For SDOF (Single Degree of Freedom).

The Role of Electronic Excitations on Chemical Reaction Dynamics at Metal, Semiconductor and Nanoparticle Surfaces

Energy Technology Data Exchange (ETDEWEB)

Tully, John C. [Yale Univ., New Haven, CT (United States)

2017-06-10

Chemical reactions are often facilitated and steered when carried out on solid surfaces, essential for applications such as heterogeneous catalysis, solar energy conversion, corrosion, materials processing, and many others. A critical factor that can determine the rates and pathways of chemical reactions at surfaces is the efficiency and specificity of energy transfer; how fast does energy move around and where does it go? For reactions on insulator surfaces energy transfer generally moves in and out of vibrations of the adsorbed molecule and the underlying substrate. By contrast, on metal surfaces, metallic nanoparticles and semiconductors, another pathway for energy flow opens up, excitation and de-excitation of electrons. This so-called “nonadiabatic” mechanism often dominates the transfer of energy and can directly impact the course of a chemical reaction. Conventional computational methods such as molecular dynamics simulation do not account for this nonadiabatic behavior. The current DOE-BES funded project has focused on developing the underlying theoretical foundation and the computational methodology for the prediction of nonadiabatic chemical reaction dynamics at surfaces. The research has successfully opened up new methodology and new applications for molecular simulation. In particular, over the last three years, the “Electronic Friction” theory, pioneered by the PI, has now been developed into a stable and accurate computational method that is sufficiently practical to allow first principles “on-the-fly” simulation of chemical reaction dynamics at metal surfaces.

Analysis of gravity data using trend surfaces

Science.gov (United States)

Asimopolos, Natalia-Silvia; Asimopolos, Laurentiu

2013-04-01

In this paper we have developed algorithms and related software programs for calculating of trend surfaces of higher order. These methods of analysis of trends, like mobile media applications are filtration systems for geophysical data in surface. In particular we presented few case studies for gravity data and gravity maps. Analysis with polynomial trend surfaces contributes to the recognition, isolation and measurement of trends that can be represented by surfaces or hyper-surfaces (in several sizes), thus achieving a separation in regional variations and local variations. This separation is achieved by adjusting the trend function at different values. Trend surfaces using the regression analysis satisfy the criterion of least squares. The difference between the surface of trend and the observed value in a certain point is the residual value. Residual sum of squares of these values should be minimal as the criterion of least squares. The trend surface is considered as regional or large-scale and the residual value will be regarded as local or small-scale component. Removing the regional trend has the effect of highlighting local components represented by residual values. Surface analysis and hyper-surfaces principles are applied to the surface trend and any number of dimensions. For hyper-surfaces we can work with polynomial functions with four or more variables (three variables of space and other variables for interest parameters) that have great importance in some applications. In the paper we presented the mathematical developments about generalized trend surfaces and case studies about gravimetric data. The trend surfaces have the great advantage that the effect of regional anomalies can be expressed as analytic functions. These tendency surfaces allows subsequent mathematical processing and interesting generalizations, with great advantage to work with polynomial functions compared with the original discrete data. For gravity data we estimate the depth of

Utilizing GNSS Reflectometry to Assess Surface Inundation Dynamics in Tropical Wetlands

Science.gov (United States)

Jensen, K.; McDonald, K. C.; Podest, E.; Chew, C. C.

2017-12-01

Tropical wetlands play a significant role in global atmospheric methane and terrestrial water storage. Despite the growing number of remote sensing products from satellite sensors, both spatial distribution and temporal variability of wetlands remain highly uncertain. An emerging innovative approach to mapping wetlands is offered by GNSS reflectometry (GNSS-R), a bistatic radar concept that takes advantage of GNSS transmitting satellites to yield observations with global coverage and rapid revisit time. This technology offers the potential to capture dynamic inundation changes in wetlands at higher temporal fidelity and sensitivity under the canopy than presently possible. We present an integrative analysis of radiometric modeling, ground measurements, and several microwave remote sensing datasets traditionally used for wetland observations. From a theoretical standpoint, GNSS-R sensitivities for vegetation and wetlands are investigated with a bistatic radar model in order to understand the interactions of the signal with various land surface components. GNSS reflections from the TechDemoSat-1 (TDS-1), Soil Moisture Active Passive (SMAP), and Cyclone GNSS (CYGNSS) missions are tested experimentally with contemporaneous (1) field measurements collected from the Pacaya Samiria National Reserve in the Peruvian Amazon, (2) imaging radar from Sentinel-1 and PALSAR-2 observed over a variety of tropical wetland systems, and (3) pan-tropical coarse-resolution (25km) microwave datasets (Surface Water Microwave Product Series). We find that GNSS-R data provide the potential to extend capabilities of current remote sensing techniques to characterize surface inundation extent, and we explore how to maximize synergism between different satellite sensors to produce an enhanced wetland monitoring product.

Dynamic stimulated Brillouin scattering analysis

DEFF Research Database (Denmark)

Djupsöbacka, A.; Jacobsen, Gunnar; Tromborg, Bjarne

2000-01-01

We present a new simple analysis - including the effect of spontaneous emission - of the (dynamic) influence of SBS on the detected receiver eye diagram. It applies in principle for general types of modulation formats such as the digital formats of ASK, FSK, and PSK. The analysis is formulated fo...

Response analysis of the dynamic excitation of hen eggs

Directory of Open Access Journals (Sweden)

Libor Severa

2007-01-01

Full Text Available Commercially produced hen eggs have been tested by means of dynamic excitation of the egg-shells with following analysis of their response. The falling steel ball have been chosen as a exciting instrument and the laser vibrometer have been used as a measuring device for the egg response. The reproductibility of the experiments has been relatively high and the surface velocity has been found to be significantly dependent on the position around the meridian. Analysed frequency spectrum has shown the peak frequency and frequency history. Proposed numerical model has demonstrated reasonable agreement with experimental results and can be used as an effective tool in modelling of analogous or similar experiments.

The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

International Nuclear Information System (INIS)

Nguyen, Duc; Girolami, Gregory S.; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Lyding, Joseph; Gruebele, Martin

2014-01-01

Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB 2 glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB 2 has a very high bulk glass transition temperature T g , and we observe no three-state hopping or sequential two-state hopping previously seen on lower T g glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses

Dynamic Path Analysis in Life-Course Epidemiology

DEFF Research Database (Denmark)

Gamborg, Michael Orland; Boje Jensen, Gorm; Sørensen, Thorkild I.A.

2011-01-01

it works through other risk factors. In this paper, the dynamic path analysis model is presented as a tool to analyze these dynamic mechanisms in life-course epidemiology. A key feature of dynamic path analysis is its ability to decompose the total effect of a risk factor into a direct effect (not mediated...... by other variables) and indirect effects (mediated through other variables). This is illustrated by examining the associations between repeated measurements of body mass index (BMI) and systolic blood pressure (SBP) and the risk of CHD in a sample of Danish men between 1976 and 2006. The effect of baseline...... BMI on the risk of CHD is decomposed into a direct effect and indirect effects going through later BMI, concurrent SBP, or later SBP. In conclusion, dynamic path analysis is a flexible tool that by the decomposition of effects can be used to increase the understanding of mechanisms that underlie...

Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces

DEFF Research Database (Denmark)

Hall, B.; Deumens, E.; Ohrn, Y.

2014-01-01

A perennial problem in quantum scattering calculations is accurate theoretical treatment of low energy collisions. We propose a method of extracting a folded, nonadiabatic, effective potential energy surface from electron nuclear dynamics (END) trajectories; we then perform nuclear wave packet...

Estimation of the under-surface temperature pattern by dynamic remote sensing

Energy Technology Data Exchange (ETDEWEB)

Inamura, M [Univ. of Tokyo; Tao, R; Katsuma, T; Toyota, H

1977-10-01

There are three basic classifications of remote sensing: passive RS, which involves measurement of reflected solar radiation; active RS, which involves the use of microwaves or laser radar; and infrared scanning. These methods make possible the determination of an object's surface temperature, its effective emissivity, and its effective reflectivity. The surface temperature, in effect, contains information concerning the structure below the surface. Fundamental experiments were conducted to extract sub-surface information by means of 'dynamic remote sensing.' Aluminum objects were embedded in a container filled with sand, and the container was heated from below. First, the spatial transfer function of the medium (sand) was determined, the surface temperature pattern was filtered, and the subsurface temperature pattern was calculated, allowing the subsurface forms of the aluminum objects to be estimated. The relationship between the thermal input (bottom temperature) and the thermal output (surface temperature) was expressed in terms of electrical circuit analogs, and the heat capacity and thermal conductivity of the sample were calculated, permitting estimation of its composition. This technique will be useful for groundwater and mineral exploration and for nondestructive testing.

Applications of surface analysis and surface theory in tribology

Science.gov (United States)

Ferrante, John

1989-01-01

Tribology, the study of adhesion, friction and wear of materials, is a complex field which requires a knowledge of solid state physics, surface physics, chemistry, material science, and mechanical engineering. It has been dominated, however, by the more practical need to make equipment work. With the advent of surface analysis and advances in surface and solid-state theory, a new dimension has been added to the analysis of interactions at tribological interfaces. In this paper the applications of tribological studies and their limitations are presented. Examples from research at the NASA Lewis Research Center are given. Emphasis is on fundamental studies involving the effects of monolayer coverage and thick films on friction and wear. A summary of the current status of theoretical calculations of defect energetics is presented. In addition, some new theoretical techniques which enable simplified quantitative calculations of adhesion, fracture, and friction are discussed.

Finite Element Methods On Very Large, Dynamic Tubular Grid Encoded Implicit Surfaces

DEFF Research Database (Denmark)

Nemitz, Oliver; Nielsen, Michael Bang; Rumpf, Martin

2009-01-01

dynamic tubular grid encoding format for a narrow band. A reaction diffusion model on a fixed surface and surface evolution driven by a nonlinear geometric diffusion approach, by isotropic or truly anisotropic curvature motion, are investigated as characteristic model problems. The proposed methods...

Dynamic and steady state performance comparison of line-start permanent magnet synchronous motors with interior and surface rotor magnets

Directory of Open Access Journals (Sweden)

Ogbuka Cosmas

2016-03-01

Full Text Available A comprehensive comparison of the dynamic and steady state performance characteristics of permanent magnet synchronous motors (PMSM with interior and surface rotor magnets for line-start operation is presented. The dynamic model equations of the PMSM, with damper windings, are utilized for dynamic studies. Two typical loading scenarios are examined: step and ramp loading. The interior permanent magnet synchronous motor (IPMSM showed superior asynchronous performance under no load, attaining faster synchronism compared to the surface permanent magnet synchronous motor (SPMSM. With step load of 10 Nm at 2 s the combined effect of the excitation and the reluctance torque forced the IPMSM to pull into synchronism faster than the SPMSM which lacks saliency. The ability of the motors to withstand gradual load increase, in the synchronous mode, was examined using ramp loading starting from zero at 2 s. SPMSM lost synchronism at 12 s under 11 Nm load while the IPMSM sustained synchronism until 41 seconds under 40 Nm load. This clearly suggests that the IPMSM has superior load-withstand capability. The superiority is further buttressed with the steady state torque analysis where airgap torque in IPMSM is enhanced by the reluctance torque within 90° to 180° torque angle.

Spatiotemporal dynamics of surface water networks across a global biodiversity hotspot—implications for conservation

Science.gov (United States)

Tulbure, Mirela G.; Kininmonth, Stuart; Broich, Mark

2014-11-01

The concept of habitat networks represents an important tool for landscape conservation and management at regional scales. Previous studies simulated degradation of temporally fixed networks but few quantified the change in network connectivity from disintegration of key features that undergo naturally occurring spatiotemporal dynamics. This is particularly of concern for aquatic systems, which typically show high natural spatiotemporal variability. Here we focused on the Swan Coastal Plain, a bioregion that encompasses a global biodiversity hotspot in Australia with over 1500 water bodies of high biodiversity. Using graph theory, we conducted a temporal analysis of water body connectivity over 13 years of variable climate. We derived large networks of surface water bodies using Landsat data (1999-2011). We generated an ensemble of 278 potential networks at three dispersal distances approximating the maximum dispersal distance of different water dependent organisms. We assessed network connectivity through several network topology metrics and quantified the resilience of the network topology during wet and dry phases. We identified ‘stepping stone’ water bodies across time and compared our networks with theoretical network models with known properties. Results showed a highly dynamic seasonal pattern of variability in network topology metrics. A decline in connectivity over the 13 years was noted with potential negative consequences for species with limited dispersal capacity. The networks described here resemble theoretical scale-free models, also known as ‘rich get richer’ algorithm. The ‘stepping stone’ water bodies are located in the area around the Peel-Harvey Estuary, a Ramsar listed site, and some are located in a national park. Our results describe a powerful approach that can be implemented when assessing the connectivity for a particular organism with known dispersal distance. The approach of identifying the surface water bodies that act as �

Capability of space-spectral analysis used for studying underground nuclear explosions effect on ground surface condition

International Nuclear Information System (INIS)

Melent'ev, M.I.; Velikanov, A.E.

2003-01-01

The article describes the results of the work of study of the influence underground nucleus blasts (UNB) on condition of the day surface of the site Balapan on the territory of Semipalatinsk Test Site using materials of remote space sensing. The estimation of the cosmic spectral analysis information density is given for revealing the post-explosive geo- dynamic processes. (author)

Surface, dynamic and structural properties of liquid Al-Ti alloys

International Nuclear Information System (INIS)

Novakovic, R.; Giuranno, D.; Ricci, E.; Tuissi, A.; Wunderlich, R.; Fecht, H.-J.; Egry, I.

2012-01-01

The systems containing highly reactive element such as Ti are the most difficult to be determined experimentally and therefore, it is often necessary to estimate the missing values by theoretical models. The thermodynamic data of the Al-Ti system are scarce, its phase diagram is still incomplete and there are very few data on the thermophysical properties of Al-Ti melts. The study on surface, dynamic and static structural properties of liquid Al-Ti alloys has been carried out within the framework of the Compound Formation Model. In spite of the experimental difficulties, the surface tension of liquid Al-2 at.%Ti alloy has been measured over a temperature range by the pinned drop method.

Theoretical and Experimental Analysis of Adsorption in Surface-based Biosensors

DEFF Research Database (Denmark)

Hansen, Rasmus

The present Ph.D. dissertation concerns the application of surface plasmon resonance (SPR) spectroscopy, which is a surface-based biosensor technology, for studies of adsorption dynamics. The thesis contains both experimental and theoretical work. In the theoretical part we develop the theory...... cell of the surface-based biosensor, in addition to the sensor surface, is investigated. In the experimental part of the thesis we use a Biacore SPR sensor to study lipase adsorption on model substrate surfaces, as well as competitive adsorption of lipase and surfactants. A part of the experimental...

A scanning fluid dynamic gauging technique for probing surface layers

International Nuclear Information System (INIS)

Gordon, Patrick W; Chew, Y M John; Wilson, D Ian; Brooker, Anju D M; York, David W

2010-01-01

Fluid dynamic gauging (FDG) is a technique for measuring the thickness of soft solid deposit layers immersed in a liquid environment, in situ and in real time. This paper details the performance of a novel automated, scanning FDG probe (sFDG) which allows the thickness of a sample layer to be monitored at several points during an experiment, with a resolution of ±5 µm. Its application is demonstrated using layers of gelatine, polyvinyl alcohol (PVA) and baked tomato purée deposits. Swelling kinetics, as well as deformation behaviour—based on knowledge of the stresses imposed on the surface by the gauging flow—can be determined at several points, affording improved experimental data. The use of FDG as a surface scanning technique, operating as a fluid mechanical analogue of atomic force microscopy on a millimetre length scale, is also demonstrated. The measurement relies only on the flow behaviour, and is thus suitable for use in opaque fluids, does not contact the surface itself and does not rely on any specific physical properties of the surface, provided it is locally stiff

Preliminary Dynamic Feasibility and Analysis of a Spherical, Wind-Driven (Tumbleweed), Martian Rover

Science.gov (United States)

Flick, John J.; Toniolo, Matthew D.

2005-01-01

The process and findings are presented from a preliminary feasibility study examining the dynamics characteristics of a spherical wind-driven (or Tumbleweed) rover, which is intended for exploration of the Martian surface. The results of an initial feasibility study involving several worst-case mobility situations that a Tumbleweed rover might encounter on the surface of Mars are discussed. Additional topics include the evaluation of several commercially available analysis software packages that were examined as possible platforms for the development of a Monte Carlo Tumbleweed mission simulation tool. This evaluation lead to the development of the Mars Tumbleweed Monte Carlo Simulator (or Tumbleweed Simulator) using the Vortex physics software package from CM-Labs, Inc. Discussions regarding the development and evaluation of the Tumbleweed Simulator, as well as the results of a preliminary analysis using the tool are also presented. Finally, a brief conclusions section is presented.

Molecular-dynamics theory of the temperature-dependent surface phonons of W(001)

International Nuclear Information System (INIS)

Wang, C.Z.; Fasolino, A.; Tosatti, E.

1987-04-01

We study the temperature-dependent zone-boundary surface phonons across the c(2x2)→1x1 reconstruction phase transition of the clean W(001) surface. Velocity-velocity correlations and hence the phonon spectral densities are calculated by molecular dynamics for the surface atoms of a finite thickness (001) slab, with interatomic potentials established in a previous study of the surface statics. Our calculated k = (1/2,1/2)(2π/a) surface phonon are dominated by three main low-frequency modes. Of these, the longitudinal and the shear horizontal are reconstruction-related and display critical broadening and softening at the phase transition, while the third, the shear vertical, is basically unaffected. The reconstruction phase mode, shear horizontal, appears to be responsible for the phase fluctuations which destroy long-range order at the transition. (author). 30 refs, 12 figs

Ultimate Cavity Dynamics of Hydrophobic Spheres Impacting on Free Water Surfaces

KAUST Repository

Mansoor, Mohammad M.

2012-12-01

Cavity formation resulting from the water-entry of solid objects has been the subject of extensive research owing to its practical relevance in naval, military, industrial, sports and biological applications. The cavity formed by an impacting hydrophobic sphere normally seals at two places, one below (deep seal) and the other above the water surface (surface seal). For Froude numbers , the air flow into the resulting cavity is strong enough to suck the splash crown above the surface and disrupt the cavity dynamics before it deep seals. In this research work we eliminate surface seals by means of a novel practice of using cone splash-guards and examine the undisturbed transient cavity dynamics by impact of hydrophobic spheres for Froude numbers ranging . This enabled the measurement of extremely accurate pinch-off heights, pinch-off times, radial cavity collapse rates, and jet speeds in an extended range of Froude numbers compared to the previous work of Duclaux et al. (2007). Results in the extended regime were in remarkable agreement with the theoretical prediction of scaled pinch-off depth, and experimentally derived pinch-off time for . Furthermore, we investigated the influence of confinement on cavity formation by varying the cross-sectional area of the tank of liquid. In conjunction with surface seal elimination we observed the formation of multiple pinch-off points where a maximum of four deep seals were obtained in a sequential order for the Froude number range investigated. The presence of an elongated cavity beneath the first pinch-off point 5 resulted in evident "kinks" primarily related to the greatly diminished air pressure at the necking region caused by supersonic air flows (Gekle et al. 2010). Such flows passing through second pinch-offs were also found to choke the cavities beneath the first pinch- off depths causing radial expansion and hence disappearance of downward jets.

Fluido-Dynamic and Electromagnetic Characterization of 3D Carbon Dielectrophoresis with Finite Element Analysis

Directory of Open Access Journals (Sweden)

Rodrigo Martinez-Duarte

2008-12-01

Full Text Available The following work presents the fluido-dynamic and electromagnetic characterization of an array of 3D electrodes to be used in high throughput and high efficiency Carbon Dielectrophoresis (CarbonDEP applications such as filters, continuous particle enrichment and positioning of particle populations for analysis. CarbonDEP refers to the induction of Dielectrophoresis (DEP by carbon surfaces. The final goal is, through an initial stage of modeling and analysis, to reduce idea-to-prototype time and cost of CarbonDEP devices to be applied in the health care field. Finite Element Analysis (FEA is successfully conducted to model flow velocity and electric fields established by polarized high aspect ratio carbon cylinders, and its planar carbon connecting leads, immersed in a water-based medium. Results demonstrate correlation between a decreasing flow velocity gradient and an increasing electric field gradient toward electrodes’ surfaces which is optimal for selected CarbonDEP applications. Simulation results are experimentally validated in the proposed applications.

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

Science.gov (United States)

Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

2016-12-01

We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

D2 dissociative adsorption on and associative desorption from Si(100): Dynamic consequences of an ab initio potential energy surface

DEFF Research Database (Denmark)

Luntz, A. C.; Kratzer, Peter

1996-01-01

favors the symmetric one. Under the conditions of many experiments, either could dominate. The calculations show quite weak dynamic coupling to the Si lattice for both paths, i.e., weak surface temperature dependences to dissociation and small energy loss to the lattice upon desorption......Dynamical calculations are reported for D-2 dissociative chemisorption on and associative desorption from a Si(100) surface. These calculations use the dynamically relevant effective potential which is based on an ab initio potential energy surface for the ''pre-paired'' species. Three coordinates...

Dynamics of the Oso-Steelhead landslide from broadband seismic analysis

Science.gov (United States)

Hibert, C.; Stark, C. P.; Ekström, G.

2015-06-01

We carry out a combined analysis of the short- and long-period seismic signals generated by the devastating Oso-Steelhead landslide that occurred on 22 March 2014. The seismic records show that the Oso-Steelhead landslide was not a single slope failure, but a succession of multiple failures distinguished by two major collapses that occurred approximately 3 min apart. The first generated long-period surface waves that were recorded at several proximal stations. We invert these long-period signals for the forces acting at the source, and obtain estimates of the first failure runout and kinematics, as well as its mass after calibration against the mass-centre displacement estimated from remote-sensing imagery. Short-period analysis of both events suggests that the source dynamics of the second event is more complex than the first. No distinct long-period surface waves were recorded for the second failure, which prevents inversion for its source parameters. However, by comparing the seismic energy of the short-period waves generated by both events we are able to estimate the volume of the second. Our analysis suggests that the volume of the second failure is about 15-30% of the total landslide volume, giving a total volume mobilized by the two events between 7 × 106 and 10 × 106 m3, in agreement with estimates from ground observations and lidar mapping.

Molecular dynamics for lateral surface adhesion and peeling behavior of single-walled carbon nanotubes on gold surfaces

International Nuclear Information System (INIS)

Huang, Pei-Hsing

2011-01-01

Highlights: ► Adhesion and peeling behaviors of SWCNTs are investigated by detailed, fully atomistic MD simulations. ► Adhesion energy of SWCNTs are discussed. ► Dynamical behaviors of SWCNTs in low temperature adhesion are analyzed. ► Adhesion strengths of SWCNTs obtained from MD simulations are compared with the predictions of Hamaker theory and JKR model. - Abstract: Functional gecko-inspired adhesives have attracted a lot of research attention in the last decade. In this work, the lateral surface adhesion and normal peeling-off behavior of single-walled carbon nanotubes (SWCNTs) on gold substrates are investigated by performing detailed, fully atomistic molecular dynamics (MD) simulations. The effects of the diameter and adhered length of CNTs on the adhesive properties were systematically examined. The simulation results indicate that adhesion energies between the SWCNTs and the Au surface varied from 220 to 320 mJ m −2 over the reported chirality range. The adhesion forces on the lateral surface and the tip of the nanotubes obtained from MD simulations agree very well with the predictions of Hamaker theory and Johnson–Kendall–Roberts (JKR) model. The analyses of covalent bonds indicate that the SWCNTs exhibited excellent flexibility and extensibility when adhering at low temperatures (∼100 K). This mechanism substantially increases adhesion time compared to that obtained at higher temperatures (300–700 K), which makes SWCNTs promising for biomimetic adhesives in ultra-low temperature surroundings.

Molecular dynamics for lateral surface adhesion and peeling behavior of single-walled carbon nanotubes on gold surfaces

Energy Technology Data Exchange (ETDEWEB)

Huang, Pei-Hsing, E-mail: phh@mail.npust.edu.tw [Department of Mechanical Engineering, National Pingtung University of Science and Technology, Pingtung 912, Taiwan (China)

2011-12-15

Highlights: Black-Right-Pointing-Pointer Adhesion and peeling behaviors of SWCNTs are investigated by detailed, fully atomistic MD simulations. Black-Right-Pointing-Pointer Adhesion energy of SWCNTs are discussed. Black-Right-Pointing-Pointer Dynamical behaviors of SWCNTs in low temperature adhesion are analyzed. Black-Right-Pointing-Pointer Adhesion strengths of SWCNTs obtained from MD simulations are compared with the predictions of Hamaker theory and JKR model. - Abstract: Functional gecko-inspired adhesives have attracted a lot of research attention in the last decade. In this work, the lateral surface adhesion and normal peeling-off behavior of single-walled carbon nanotubes (SWCNTs) on gold substrates are investigated by performing detailed, fully atomistic molecular dynamics (MD) simulations. The effects of the diameter and adhered length of CNTs on the adhesive properties were systematically examined. The simulation results indicate that adhesion energies between the SWCNTs and the Au surface varied from 220 to 320 mJ m{sup -2} over the reported chirality range. The adhesion forces on the lateral surface and the tip of the nanotubes obtained from MD simulations agree very well with the predictions of Hamaker theory and Johnson-Kendall-Roberts (JKR) model. The analyses of covalent bonds indicate that the SWCNTs exhibited excellent flexibility and extensibility when adhering at low temperatures ({approx}100 K). This mechanism substantially increases adhesion time compared to that obtained at higher temperatures (300-700 K), which makes SWCNTs promising for biomimetic adhesives in ultra-low temperature surroundings.

Active Self-Assembled Spinners: dynamic crystals, transport and induced surface flows

Science.gov (United States)

Snezhko, Alexey; Kokot, Gasper

Strongly interacting colloids driven out-of-equilibrium by an external periodic forcing often develop nontrivial collective dynamics. Active magnetic colloids proved to be excellent model experimental systems to explore emergent behavior and active (out-of-equilibrium) self-assembly phenomena. Ferromagnetic micro-particles, suspended at a liquid interface and energized by a rotational homogeneous alternating magnetic field applied along the supporting interface, spontaneously form ensembles of synchronized self-assembled spinners with well-defined characteristic length. The size and the torque of an individual self-assembled spinner are controlled by the frequency of the driving magnetic field. Experiments reveal a rich collective dynamics in large ensembles of synchronized magnetic spinners that spontaneously form dynamic spinner lattices at the interface in a certain range of the excitation parameters. Non-trivial dynamics inside of the formed spinner lattices is observed. Transport of passive cargo particles and structure of the underlying self-induced surface flows is analyzed. The research was supported by the U.S. DOE, Office of Basic Energy Sciences, Division of Materials Science and Engineering.

Quantitative analysis of impact measurements using dynamic load cells

Directory of Open Access Journals (Sweden)

Brent J. Maranzano

2016-03-01

Full Text Available A mathematical model is used to estimate material properties from a short duration transient impact force measured by dropping spheres onto rectangular coupons fixed to a dynamic load cell. The contact stress between the dynamic load cell surface and the projectile are modeled using Hertzian contact mechanics. Due to the short impact time relative to the load cell dynamics, an additional Kelvin–Voigt element is included in the model to account for the finite response time of the piezoelectric crystal. Calculations with and without the Kelvin–Voigt element are compared to experimental data collected from combinations of polymeric spheres and polymeric and metallic surfaces. The results illustrate that the inclusion of the Kelvin–Voigt element qualitatively captures the post impact resonance and non-linear behavior of the load cell signal and quantitatively improves the estimation of the Young's elastic modulus and Poisson's ratio. Mathematically, the additional KV element couples one additional differential equation to the Hertzian spring-dashpot equation. The model can be numerically integrated in seconds using standard numerical techniques allowing for its use as a rapid technique for the estimation of material properties. Keywords: Young's modulus, Poisson's ratio, Dynamic load cell

Repository surface design site layout analysis

International Nuclear Information System (INIS)

Montalvo, H.R.

1998-01-01

The purpose of this analysis is to establish the arrangement of the Yucca Mountain Repository surface facilities and features near the North Portal. The analysis updates and expands the North Portal area site layout concept presented in the ACD, including changes to reflect the resizing of the Waste Handling Building (WHB), Waste Treatment Building (WTB), Carrier Preparation Building (CPB), and site parking areas; the addition of the Carrier Washdown Buildings (CWBs); the elimination of the Cask Maintenance Facility (CMF); and the development of a concept for site grading and flood control. The analysis also establishes the layout of the surface features (e.g., roads and utilities) that connect all the repository surface areas (North Portal Operations Area, South Portal Development Operations Area, Emplacement Shaft Surface Operations Area, and Development Shaft Surface Operations Area) and locates an area for a potential lag storage facility. Details of South Portal and shaft layouts will be covered in separate design analyses. The objective of this analysis is to provide a suitable level of design for the Viability Assessment (VA). The analysis was revised to incorporate additional material developed since the issuance of Revision 01. This material includes safeguards and security input, utility system input (size and location of fire water tanks and pump houses, potable water and sanitary sewage rates, size of wastewater evaporation pond, size and location of the utility building, size of the bulk fuel storage tank, and size and location of other exterior process equipment), main electrical substation information, redundancy of water supply and storage for the fire support system, and additional information on the storm water retention pond

NUMERICAL MODELING AND DYNAMIC SIMULATIONS OF NONLINEAR AEROTHERMOELASTIC OF A DOUBLE-WEDGE LIFTING SURFACE

Directory of Open Access Journals (Sweden)

ARIF A. EBRAHEEM AL-QASSAR

2008-12-01

Full Text Available The design of the re-entry space vehicles and high-speed aircrafts requires special attention to the nonlinear thermoelastic and aerodynamic instabilities of their structural components. The thermal effects are important since temperature environment influences significantly the static and dynamic behaviors of flight structures in supersonic/hypersonic regimes. To contribute to the understanding of dynamic behavior of these “hot” structures, a double-wedge lifting surface with combined freeplay and cubic stiffening structural nonlinearities in both plunging and pitching degrees-of-freedom operating in supersonic/hypersonic flight speed regimes has been analyzed. A third order Piston Theory Aerodynamics is used to evaluate the applied nonlinear unsteady aerodynamic loads. The loss of torsional stiffness that may be incurred by lifting surfaces subjected to axial stresses induced by aerodynamic heating is also considered. The aerodynamic heating effect is estimated based on the adiabatic wall temperature due to high speed airstreams. Modelling issues as well as simulation results have been presented and pertinent conclusions outlined. It is highlighted that a serious loss of torsional stiffness may induce the dynamic instability of the lifting surfaces. The influence of various parameters such as flight condition, thickness ratio, freeplays and pitching stiffness nonlinearity are also discussed.

Dynamic placement of plasmonic hotspots for super-resolution surface-enhanced Raman scattering.

Science.gov (United States)

Ertsgaard, Christopher T; McKoskey, Rachel M; Rich, Isabel S; Lindquist, Nathan C

2014-10-28

In this paper, we demonstrate dynamic placement of locally enhanced plasmonic fields using holographic laser illumination of a silver nanohole array. To visualize these focused "hotspots", the silver surface was coated with various biological samples for surface-enhanced Raman spectroscopy (SERS) imaging. Due to the large field enhancements, blinking behavior of the SERS hotspots was observed and processed using a stochastic optical reconstruction microscopy algorithm enabling super-resolution localization of the hotspots to within 10 nm. These hotspots were then shifted across the surface in subwavelength (hotspots. Using this technique, we also show that such subwavelength shifting and localization of plasmonic hotspots has potential for imaging applications. Interestingly, illuminating the surface with randomly shifting SERS hotspots was sufficient to completely fill in a wide field of view for super-resolution chemical imaging.

Simulation of dynamic processes when machining transition surfaces of stepped shafts

Science.gov (United States)

Maksarov, V. V.; Krasnyy, V. A.; Viushin, R. V.

2018-03-01

The paper addresses the characteristics of stepped surfaces of parts categorized as "solids of revolution". It is noted that in the conditions of transition modes during the switch to end surface machining, there is cutting with varied load intensity in the section of the cut layer, which leads to change in cutting force, onset of vibrations, an increase in surface layer roughness, a decrease of size precision, and increased wear of a tool's cutting edge. This work proposes a method that consists in developing a CNC program output code that allows one to process complex forms of stepped shafts with only one machine setup. The authors developed and justified a mathematical model of a technological system for mechanical processing with consideration for the resolution of tool movement at the stages of transition processes to assess the dynamical stability of a system in the process of manufacturing stepped surfaces of parts of “solid of revolution” type.

Molecular Dynamics Simulations of Water Droplets On Hydrophilic Silica Surfaces

DEFF Research Database (Denmark)

Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard L.

2009-01-01

and DNA microarrays technologies.Although extensive experimental, theoretical and computational work has been devoted to study the nature of the interaction between silica and water, at the molecular level a complete understanding of silica-water systems has not been reached. Contact angle computations...... dynamics (MD) simulations of a hydrophilic air-water-silica system using the MD package FASTTUBE. We employ quantum chemistry calculation to obtain air-silica interaction parameters for the simulations. Our simulations are based in the following force fields: i) The silica-silica interaction is based...... of water droplets on silica surfaces offers a useful fundamental and quantitative measurement in order to study chemical and physical properties of water-silica systems. For hydrophobic systems the static and dynamic properties of the fluid-solid interface are influenced by the presence of air. Hence...

Modern fluid dynamics

CERN Document Server

Kleinstreuer, Clement

2018-01-01

Modern Fluid Dynamics, Second Edition provides up-to-date coverage of intermediate and advanced fluids topics. The text emphasizes fundamentals and applications, supported by worked examples and case studies. Scale analysis, non-Newtonian fluid flow, surface coating, convection heat transfer, lubrication, fluid-particle dynamics, microfluidics, entropy generation, and fluid-structure interactions are among the topics covered. Part A presents fluids principles, and prepares readers for the applications of fluid dynamics covered in Part B, which includes computer simulations and project writing. A review of the engineering math needed for fluid dynamics is included in an appendix.

Solar Dynamic Power System Stability Analysis and Control

Science.gov (United States)

Momoh, James A.; Wang, Yanchun

1996-01-01

The objective of this research is to conduct dynamic analysis, control design, and control performance test of solar power system. Solar power system consists of generation system and distribution network system. A bench mark system is used in this research, which includes a generator with excitation system and governor, an ac/dc converter, six DDCU's and forty-eight loads. A detailed model is used for modeling generator. Excitation system is represented by a third order model. DDCU is represented by a seventh order system. The load is modeled by the combination of constant power and constant impedance. Eigen-analysis and eigen-sensitivity analysis are used for system dynamic analysis. The effects of excitation system, governor, ac/dc converter control, and the type of load on system stability are discussed. In order to improve system transient stability, nonlinear ac/dc converter control is introduced. The direct linearization method is used for control design. The dynamic analysis results show that these controls affect system stability in different ways. The parameter coordination of controllers are recommended based on the dynamic analysis. It is concluded from the present studies that system stability is improved by the coordination of control parameters and the nonlinear ac/dc converter control stabilize system oscillation caused by the load change and system fault efficiently.

Tapping mode AFM study on the surface dynamics of a single glucose oxidase molecule on a Au(1 1 1) surface in water with implication for a surface-induced unfolding pathway

International Nuclear Information System (INIS)

Otsuka, Ichiro; Yaoita, Masashi; Higano, Michi; Nagashima, Seiiichi; Kataoka, Ryoichi

2004-01-01

We have investigated a surface-induced unfolding dynamics of a single glucose oxidase (GO) molecule on Au(1 1 1) in air-saturated water, using tapping mode atomic force microscopy (TMAFM). We followed the unfolding process by measuring the maximum height of a well-isolated GO molecule on a terrace near a step-edge of the surface as a function of contact time. We find three linear portions with two intersections in a power-law fit to the selected values of the observed heights. The kinetic TMAFM result implies that there exist at least two distinct dynamic regimes in the unfolding

Charge Dynamics in near-Surface, Variable-Density Ensembles of Nitrogen-Vacancy Centers in Diamond.

Science.gov (United States)

Dhomkar, Siddharth; Jayakumar, Harishankar; Zangara, Pablo R; Meriles, Carlos A

2018-06-13

Although the spin properties of superficial shallow nitrogen-vacancy (NV) centers have been the subject of extensive scrutiny, considerably less attention has been devoted to studying the dynamics of NV charge conversion near the diamond surface. Using multicolor confocal microscopy, here we show that near-surface point defects arising from high-density ion implantation dramatically increase the ionization and recombination rates of shallow NVs compared to those in bulk diamond. Further, we find that these rates grow linearly, not quadratically, with laser intensity, indicative of single-photon processes enabled by NV state mixing with other defect states. Accompanying these findings, we observe NV ionization and recombination in the dark, likely the result of charge transfer to neighboring traps. Despite the altered charge dynamics, we show that one can imprint rewritable, long-lasting patterns of charged-initialized, near-surface NVs over large areas, an ability that could be exploited for electrochemical biosensing or to optically store digital data sets with subdiffraction resolution.

Finite difference method for inner-layer equations in the resistive MagnetoHydroDynamic stability analysis

International Nuclear Information System (INIS)

Tokuda, Shinji; Watanabe, Tomoko.

1996-08-01

The matching problem in resistive MagnetoHydroDynamic stability analysis by the asymptotic matching method has been reformulated as an initial-boundary value problem for the inner-layer equations describing the plasma dynamics in the thin layer around a rational surface. The third boundary conditions at boundaries of a finite interval are imposed on the inner layer equations in the formulation instead of asymptotic conditions at infinities. The finite difference method for this problem has been applied to model equations whose solutions are known in a closed form. It has been shown that the initial value problem and the associated eigenvalue problem for the model equations can be solved by the finite difference method with numerical stability. The formulation presented here enables the asymptotic matching method to be a practical method for the resistive MHD stability analysis. (author)

Analysis and control of complex dynamical systems robust bifurcation, dynamic attractors, and network complexity

CERN Document Server

Imura, Jun-ichi; Ueta, Tetsushi

2015-01-01

This book is the first to report on theoretical breakthroughs on control of complex dynamical systems developed by collaborative researchers in the two fields of dynamical systems theory and control theory. As well, its basic point of view is of three kinds of complexity: bifurcation phenomena subject to model uncertainty, complex behavior including periodic/quasi-periodic orbits as well as chaotic orbits, and network complexity emerging from dynamical interactions between subsystems. Analysis and Control of Complex Dynamical Systems offers a valuable resource for mathematicians, physicists, and biophysicists, as well as for researchers in nonlinear science and control engineering, allowing them to develop a better fundamental understanding of the analysis and control synthesis of such complex systems.

Molecular dynamics simulations study of nano bubble attachment at hydrophobic surfaces

Energy Technology Data Exchange (ETDEWEB)

Jin, Jiaqi; Dang, Liem X.; Miller, Jan D.

2018-01-01

Bubble attachment phenomena are examined using Molecular Dynamics Simulations (MDS) for the first time. The simulation involves a nitrogen nano bubble containing 906 nitrogen molecules in a water phase with 74,000 water molecules at molybdenite surfaces. During a simulation period of 1 ns, film rupture and displacement occurs. The attached nanobubble at the hydrophobic molybdenite face surface results in a contact angle of about 90º. This spontaneous attachment is due to a “water exclusion zone” at the molybdenite face surface and can be explained by a van der Waals (vdW) attractive force, as discussed in the literature. In contrast, the film is stable at the hydrophilic quartz (001) surface and the bubble does not attach. Contact angles determined from MD simulations are reported, and these results agree well with experimental and MDS sessile drop results. In this way, film stability and bubble attachment are described with respect to interfacial water structure for surfaces of different polarity. Interfacial water molecules at the hydrophobic molybdenite face surface have relatively weak interactions with the surface when compared to the hydrophilic quartz (001) surface, as revealed by the presence of a 3 Å “water exclusion zone” at the molybdenite/water interface. The molybdenite armchair-edge and zigzag-edge surfaces show a comparably slow process for film rupture and displacement when compared to the molybdenite face surface, which is consistent with their relatively weak hydrophobic character.

How internal drainage affects evaporation dynamics from soil surfaces ?

Science.gov (United States)

Or, D.; Lehmann, P.; Sommer, M.

2017-12-01

Following rainfall, infiltrated water may be redistributed internally to larger depths or lost to the atmosphere by evaporation (and by plant uptake from depths at longer time scales). A large fraction of evaporative losses from terrestrial surfaces occurs during stage1 evaporation during which phase change occurs at the wet surface supplied by capillary flow from the soil. Recent studies have shown existence of a soil-dependent characteristic length below which capillary continuity is disrupted and a drastic shift to slower stage 2 evaporation ensues. Internal drainage hastens this transition and affect evaporative losses. To predict the transition to stage 2 and associated evaporative losses, we developed an analytical solution for evaporation dynamics with concurrent internal drainage. Expectedly, evaporative losses are suppressed when drainage is considered to different degrees depending on soil type and wetness. We observe that high initial water content supports rapid drainage and thus promotes the sheltering of soil water below the evaporation depth. The solution and laboratory experiments confirm nonlinear relationship between initial water content and total evaporative losses. The concept contributes to establishing bounds on regional surface evaporation considering rainfall characteristics and soil types.

Dynamic Analysis of Tele-manipulator

Energy Technology Data Exchange (ETDEWEB)

Kang, Min Sig; Lee, Seung Hyun; Kim, Doo Ho; Choi, Sun Il [Kyungwon Univ., Sungnam (Korea, Republic of)

2008-03-15

The manipulator can move linearly along X and Y-axes and has 6-degree rotational freedom. All deriving electric motors are mounted on the base platform to reduce inertia of links and tendons are used to transmit torque from the motors to the corresponding joints. In this report, a dynamic analysis of the manipulator has been carried out. Based on the dimensions of the designed links and allowable maximum rotational constraints on all joints, the maximum torque has been analyzed and working volume has been derived graphically through a numerical analysis. The Danavit-Hartenverg coordinate has been used through out this report. An inverse kinematic model which includes 3-linear and 3-rotational motions of the end effector and its numerical simulation program have been developed. The simulation results showed its validity and usefulness. The program are written in Symbolic Math provided by MatLab. A dynamic model which consists of rigid link dynamic models , driving motors and tendons which are used to tranmit the torques between motors and the corresponding joints. A simulation model written in Simmechanics has been derived and its validity and its usefulness were verified along with some simulation results.

Dynamic Analysis of Tele-manipulator

International Nuclear Information System (INIS)

Kang, Min Sig; Lee, Seung Hyun; Kim, Doo Ho; Choi, Sun Il

2008-03-01

The manipulator can move linearly along X and Y-axes and has 6-degree rotational freedom. All deriving electric motors are mounted on the base platform to reduce inertia of links and tendons are used to transmit torque from the motors to the corresponding joints. In this report, a dynamic analysis of the manipulator has been carried out. Based on the dimensions of the designed links and allowable maximum rotational constraints on all joints, the maximum torque has been analyzed and working volume has been derived graphically through a numerical analysis. The Danavit-Hartenverg coordinate has been used through out this report. An inverse kinematic model which includes 3-linear and 3-rotational motions of the end effector and its numerical simulation program have been developed. The simulation results showed its validity and usefulness. The program are written in Symbolic Math provided by MatLab. A dynamic model which consists of rigid link dynamic models , driving motors and tendons which are used to tranmit the torques between motors and the corresponding joints. A simulation model written in Simmechanics has been derived and its validity and its usefulness were verified along with some simulation results

Vehicle systems: coupled and interactive dynamics analysis

Science.gov (United States)

Vantsevich, Vladimir V.

2014-11-01

This article formulates a new direction in vehicle dynamics, described as coupled and interactive vehicle system dynamics. Formalised procedures and analysis of case studies are presented. An analytical consideration, which explains the physics of coupled system dynamics and its consequences for dynamics of a vehicle, is given for several sets of systems including: (i) driveline and suspension of a 6×6 truck, (ii) a brake mechanism and a limited slip differential of a drive axle and (iii) a 4×4 vehicle steering system and driveline system. The article introduces a formal procedure to turn coupled system dynamics into interactive dynamics of systems. A new research direction in interactive dynamics of an active steering and a hybrid-electric power transmitting unit is presented and analysed to control power distribution between the drive axles of a 4×4 vehicle. A control strategy integrates energy efficiency and lateral dynamics by decoupling dynamics of the two systems thus forming their interactive dynamics.

Integrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics

DEFF Research Database (Denmark)

Papaleo, Elena

2015-01-01

that we observe and the functional properties of these important cellular machines. To make progresses in this direction, we need to improve the physical models used to describe proteins and solvent in molecular dynamics, as well as to strengthen the integration of experiments and simulations to overcome...... with the possibility to validate simulation methods and physical models against a broad range of experimental observables. On the other side, it also allows a complementary and comprehensive view on protein structure and dynamics. What is needed now is a better understanding of the link between the dynamic properties...... simulations with attention to the effects that can be propagated over long distances and are often associated to important biological functions. In this context, approaches inspired by network analysis can make an important contribution to the analysis of molecular dynamics simulations....

Dynamic factor modeling of ground and surface water levels in an agricultural area adjacent to Everglades National Park

Science.gov (United States)

Ritter, A.; Muñoz-Carpena, R.

2006-02-01

The extensive eastern boundary of Everglades National Park (ENP) in south Florida (USA) is subject to one the most expensive and ambitious environmental restoration projects in history. Understanding and predicting the interaction between the shallow aquifer and surface water is a key component for fine-tuning the process. The Frog Pond is an intensively instrumented agricultural 2023 ha area adjacent to ENP. The interactions among 21 multivariate daily time series (ground and surface water elevations, rainfall and evapotranspiration) available from this area were studied by means of dynamic factor analysis, a novel technique in the field of hydrology. This method is designed to determine latent or background effects governing variability or fluctuations in non-stationary time series. Water levels in 16 wells and two drainage ditch locations inside the area were selected as response variables, and canal levels and net recharge as explanatory variables. Elevations in the two canals delimiting the Frog Pond area were found to be the main factors explaining the response variables. This influence of canal elevations on water levels inside the area was complementary and inversely related to the distance between the observation point and each canal. Rainfall events do not affect daily water levels significantly but are responsible for instantaneous or localized groundwater responses that in some cases can be directly associated with the risk of flooding. This close coupling between surface and groundwater levels, that corroborates that found by other authors using different methods, could hinder on-going environmental restoration efforts in the area by bypassing the function of wetlands and other surface features. An empirical model with a reduced set of parameters was successfully developed and validated in the area by interpolating the results from the dynamic factor analysis across the spatial domain (coefficient of efficiency across the domain: 0.66-0.99). Although

Dynamic analysis of hybrid energy systems under flexible operation and variable renewable generation – Part II: Dynamic cost analysis

International Nuclear Information System (INIS)

Garcia, Humberto E.; Mohanty, Amit; Lin, Wen-Chiao; Cherry, Robert S.

2013-01-01

Dynamic analysis of HES (hybrid energy systems) under flexible operation and variable renewable generation is considered in this two-part communication to better understand various challenges and opportunities associated with the high system variability arising from the integration of renewable energy into the power grid. Advanced HES solutions are investigated in which multiple forms of energy commodities, such as electricity and chemical products, may be exchanged. In particular, a comparative dynamic cost analysis is conducted in this part two of the communication to determine best HES options. The cost function includes a set of metrics for computing fixed costs, such as fixed operations and maintenance and overnight capital costs, and also variable operational costs, such as cost of operational variability, variable operations and maintenance cost, and cost of environmental impact, together with revenues. Assuming natural gas, coal, and nuclear as primary heat sources, preliminary results identify the level of renewable penetration at which a given advanced HES option (e.g., a nuclear hybrid) becomes increasingly more economical than a traditional electricity-only generation solution. Conditions are also revealed under which carbon resources may be better utilized as carbon sources for chemical production rather than as combustion material for electricity generation. - Highlights: ► Dynamic analysis of HES to investigate challenges related to renewable penetration. ► Evaluation of dynamic synergies among HES constituents on system performance. ► Comparison of traditional versus advanced HES candidates. ► Dynamic cost analysis of HES candidates to investigate their economic viability. ► Identification of conditions under which an energy commodity may be best utilized

Geometric nonlinear effects on the planar dynamics of a pivoted flexible beam encountering a point-surface impact

International Nuclear Information System (INIS)

Li Qing; Wang Tianshu; Ma Xingrui

2009-01-01

Flexible-body modeling with geometric nonlinearities remains a hot topic of research by applications in multibody system dynamics undergoing large overall motions. However, the geometric nonlinear effects on the impact dynamics of flexible multibody systems have attracted significantly less attention. In this paper, a point-surface impact problem between a rigid ball and a pivoted flexible beam is investigated. The Hertzian contact law is used to describe the impact process, and the dynamic equations are formulated in the floating frame of reference using the assumed mode method. The two important geometric nonlinear effects of the flexible beam are taken into account, i.e., the longitudinal foreshortening effect due to the transverse deformation, and the stress stiffness effect due to the axial force. The simulation results show that good consistency can be obtained with the nonlinear finite element program ABAQUS/Explicit if proper geometric nonlinearities are included in the floating frame formulation. Specifically, only the foreshortening effect should be considered in a pure transverse impact for efficiency, while the stress stiffness effect should be further considered in an oblique case with much more computational effort. It also implies that the geometric nonlinear effects should be considered properly in the impact dynamic analysis of more general flexible multibody systems

Effect of dynamic temperature stimulus to plantar surface of the foot in the standing position

Directory of Open Access Journals (Sweden)

Ryo Watanabe

2016-11-01

Full Text Available We have previously found that a vertical force or tactile sensation occurs when the temperature of a participant's skin changes rapidly. In this illusion, upward motion, pressure or force sensation is elicited when stimulus temperature rises rapidly, whereas in the opposite case, downward motion or pulling sensation is elicited. In this paper, we applied this phenomenon to the sole (plantar surface of the foot to present the sensation of ground slope. To investigate this, we conducted an experiment that measured the correlation between stimulation temperature and front-back direction position of the center of gravity (COG. Participants stood on a thermal stimulator on Nintendo Wii Balance Board (WBB and they remained standing during 30 s dynamic temperature stimulus. In result of analysis, it was suggested that dynamic thermal change in sole might influence standing position and the effect pattern was anomalous in case of the participants who reported a swaying sensation without a haptic sensation. This behavior might be applied to the diagnosis of the presence of thermoesthesia of the patients who might have disease with absence of thermoesthesia.

Advances in analysis and control of timedelayed dynamical systems

CERN Document Server

Sun, Jianqiao

2013-01-01

Analysis and control of timedelayed systems have been applied in a wide range of applications, ranging from mechanical, control, economic, to biological systems. Over the years, there has been a steady stream of interest in timedelayed dynamic systems, this book takes a snap shot of recent research from the world leading experts in analysis and control of dynamic systems with time delay to provide a bird's eye view of its development. The topics covered in this book include solution methods, stability analysis and control of periodic dynamic systems with time delay, bifurcations, stochastic dy

Combined Molecular Dynamics Simulation-Molecular-Thermodynamic Theory Framework for Predicting Surface Tensions.

Science.gov (United States)

Sresht, Vishnu; Lewandowski, Eric P; Blankschtein, Daniel; Jusufi, Arben

2017-08-22

A molecular modeling approach is presented with a focus on quantitative predictions of the surface tension of aqueous surfactant solutions. The approach combines classical Molecular Dynamics (MD) simulations with a molecular-thermodynamic theory (MTT) [ Y. J. Nikas, S. Puvvada, D. Blankschtein, Langmuir 1992 , 8 , 2680 ]. The MD component is used to calculate thermodynamic and molecular parameters that are needed in the MTT model to determine the surface tension isotherm. The MD/MTT approach provides the important link between the surfactant bulk concentration, the experimental control parameter, and the surfactant surface concentration, the MD control parameter. We demonstrate the capability of the MD/MTT modeling approach on nonionic alkyl polyethylene glycol surfactants at the air-water interface and observe reasonable agreement of the predicted surface tensions and the experimental surface tension data over a wide range of surfactant concentrations below the critical micelle concentration. Our modeling approach can be extended to ionic surfactants and their mixtures with both ionic and nonionic surfactants at liquid-liquid interfaces.

Analysis of NASA Common Research Model Dynamic Data

Science.gov (United States)

Balakrishna, S.; Acheson, Michael J.

2011-01-01

Recent NASA Common Research Model (CRM) tests at the Langley National Transonic Facility (NTF) and Ames 11-foot Transonic Wind Tunnel (11-foot TWT) have generated an experimental database for CFD code validation. The database consists of force and moment, surface pressures and wideband wing-root dynamic strain/wing Kulite data from continuous sweep pitch polars. The dynamic data sets, acquired at 12,800 Hz sampling rate, are analyzed in this study to evaluate CRM wing buffet onset and potential CRM wing flow separation.

Static and dynamic characterization of robust superhydrophobic surfaces built from nano-flowers on silicon micro-post arrays

KAUST Repository

Chen, Longquan

2010-09-01

Superhydrophobic nano-flower surfaces were fabricated using MEMS technology and microwave plasma-enhanced chemical vapor deposition (MPCVD) of carbon nanotubes on silicon micro-post array surfaces. The nano-flower structures can be readily formed within 1-2 min on the micro-post arrays with the spacing ranging from 25 to 30 μm. The petals of the nano-flowers consisted of clusters of multi-wall carbon nanotubes. Patterned nano-flower structures were characterized using various microscopy techniques. After MPCVD, the apparent contact angle (160 ± 0.2°), abbreviated as ACA (defined as the measured angle between the apparent solid surface and the tangent to the liquid-fluid interface), of the nano-flower surfaces increased by 139% compared with that of the silicon micro-post arrays. The measured ACA of the nano-flower surface is consistent with the predicted ACA from a modified Cassie-Baxter equation. A high-speed CCD camera was used to study droplet impact dynamics on various micro/nanostructured surfaces. Both static testing (ACA and sliding angle) and droplet impact dynamics demonstrated that, among seven different micro/nanostructured surfaces, the nano-flower surfaces are the most robust superhydrophobic surfaces. © 2010 IOP Publishing Ltd.

Static and dynamic characterization of robust superhydrophobic surfaces built from nano-flowers on silicon micro-post arrays

KAUST Repository

Chen, Longquan; Xiao, Zhiyong; Chan, Philip C H; Lee, Yi-Kuen

2010-01-01

Superhydrophobic nano-flower surfaces were fabricated using MEMS technology and microwave plasma-enhanced chemical vapor deposition (MPCVD) of carbon nanotubes on silicon micro-post array surfaces. The nano-flower structures can be readily formed within 1-2 min on the micro-post arrays with the spacing ranging from 25 to 30 μm. The petals of the nano-flowers consisted of clusters of multi-wall carbon nanotubes. Patterned nano-flower structures were characterized using various microscopy techniques. After MPCVD, the apparent contact angle (160 ± 0.2°), abbreviated as ACA (defined as the measured angle between the apparent solid surface and the tangent to the liquid-fluid interface), of the nano-flower surfaces increased by 139% compared with that of the silicon micro-post arrays. The measured ACA of the nano-flower surface is consistent with the predicted ACA from a modified Cassie-Baxter equation. A high-speed CCD camera was used to study droplet impact dynamics on various micro/nanostructured surfaces. Both static testing (ACA and sliding angle) and droplet impact dynamics demonstrated that, among seven different micro/nanostructured surfaces, the nano-flower surfaces are the most robust superhydrophobic surfaces. © 2010 IOP Publishing Ltd.

A CAREM type fuel element dynamic analysis

International Nuclear Information System (INIS)

Magoia, J.E.

1990-01-01

A first analysis on the dynamic behaviour of a fuel element designed for the CAREM nuclear reactor (Central Argentina de Elementos Modulares) was performed. The model used to represent this dynamic behaviour was satisfactorily evaluated. Using primary estimations for some of its numerical parameters, a first approximation to its natural vibrational modes was obtained. Results obtained from fuel elements frequently used in nuclear power plants of the PWR (Pressurized Water Reactors) type, are compared with values resulting from similar analysis. (Author) [es

Model Independent Analysis of Beam Centroid Dynamics in Accelerators

International Nuclear Information System (INIS)

Wang, Chun-xi

2003-01-01

Fundamental issues in Beam-Position-Monitor (BPM)-based beam dynamics observations are studied in this dissertation. The major topic is the Model-Independent Analysis (MIA) of beam centroid dynamics. Conventional beam dynamics analysis requires a certain machine model, which itself of ten needs to be refined by beam measurements. Instead of using any particular machine model, MIA relies on a statistical analysis of the vast amount of BPM data that often can be collected non-invasively during normal machine operation. There are two major parts in MIA. One is noise reduction and degrees-of-freedom analysis using a singular value decomposition of a BPM-data matrix, which constitutes a principal component analysis of BPM data. The other is a physical base decomposition of the BPM-data matrix based on the time structure of pulse-by-pulse beam and/or machine parameters. The combination of these two methods allows one to break the resolution limit set by individual BPMs and observe beam dynamics at more accurate levels. A physical base decomposition is particularly useful for understanding various beam dynamics issues. MIA improves observation and analysis of beam dynamics and thus leads to better understanding and control of beams in both linacs and rings. The statistical nature of MIA makes it potentially useful in other fields. Another important topic discussed in this dissertation is the measurement of a nonlinear Poincare section (one-turn) map in circular accelerators. The beam dynamics in a ring is intrinsically nonlinear. In fact, nonlinearities are a major factor that limits stability and influences the dynamics of halos. The Poincare section map plays a basic role in characterizing and analyzing such a periodic nonlinear system. Although many kinds of nonlinear beam dynamics experiments have been conducted, no direct measurement of a nonlinear map has been reported for a ring in normal operation mode. This dissertation analyzes various issues concerning map

Model Independent Analysis of Beam Centroid Dynamics in Accelerators

Energy Technology Data Exchange (ETDEWEB)

Wang, Chun-xi

2003-04-21

Fundamental issues in Beam-Position-Monitor (BPM)-based beam dynamics observations are studied in this dissertation. The major topic is the Model-Independent Analysis (MIA) of beam centroid dynamics. Conventional beam dynamics analysis requires a certain machine model, which itself of ten needs to be refined by beam measurements. Instead of using any particular machine model, MIA relies on a statistical analysis of the vast amount of BPM data that often can be collected non-invasively during normal machine operation. There are two major parts in MIA. One is noise reduction and degrees-of-freedom analysis using a singular value decomposition of a BPM-data matrix, which constitutes a principal component analysis of BPM data. The other is a physical base decomposition of the BPM-data matrix based on the time structure of pulse-by-pulse beam and/or machine parameters. The combination of these two methods allows one to break the resolution limit set by individual BPMs and observe beam dynamics at more accurate levels. A physical base decomposition is particularly useful for understanding various beam dynamics issues. MIA improves observation and analysis of beam dynamics and thus leads to better understanding and control of beams in both linacs and rings. The statistical nature of MIA makes it potentially useful in other fields. Another important topic discussed in this dissertation is the measurement of a nonlinear Poincare section (one-turn) map in circular accelerators. The beam dynamics in a ring is intrinsically nonlinear. In fact, nonlinearities are a major factor that limits stability and influences the dynamics of halos. The Poincare section map plays a basic role in characterizing and analyzing such a periodic nonlinear system. Although many kinds of nonlinear beam dynamics experiments have been conducted, no direct measurement of a nonlinear map has been reported for a ring in normal operation mode. This dissertation analyzes various issues concerning map

Essentials of applied dynamic analysis

CERN Document Server

Jia, Junbo

2014-01-01

This book presents up-to-date knowledge of dynamic analysis in engineering world. To facilitate the understanding of the topics by readers with various backgrounds, general principles are linked to their applications from different angles. Special interesting topics such as statistics of motions and loading, damping modeling and measurement, nonlinear dynamics, fatigue assessment, vibration and buckling under axial loading, structural health monitoring, human body vibrations, and vehicle-structure interactions etc., are also presented. The target readers include industry professionals in civil, marine and mechanical engineering, as well as researchers and students in this area.

Isolated, slowly evolving, and dynamical trapping horizons: Geometry and mechanics from surface deformations

International Nuclear Information System (INIS)

Booth, Ivan; Fairhurst, Stephen

2007-01-01

We study the geometry and dynamics of both isolated and dynamical trapping horizons by considering the allowed variations of their foliating two-surfaces. This provides a common framework that may be used to consider both their possible evolutions and their deformations as well as derive the well-known flux laws. Using this framework, we unify much of what is already known about these objects as well as derive some new results. In particular we characterize and study the ''almost isolated'' trapping horizons known as slowly evolving horizons. It is for these horizons that a dynamical first law holds and this is analogous and closely related to the Hawking-Hartle formula for event horizons

Spectral analysis of bedform dynamics

DEFF Research Database (Denmark)

Winter, Christian; Ernstsen, Verner Brandbyge; Noormets, Riko

Successive multibeam echo sounder surveys in tidal channels off Esbjerg (Denmark) on the North Sea coast reveal the dynamics of subaquatic compound dunes. Mainly driven by tidal currents, dune structures show complex migration patterns in all temporal and spatial scales. Common methods for the an....... The proposed method overcomes the above mentioned problems of common descriptive analysis as it is an objective and straightforward mathematical process. The spectral decomposition of superimposed dunes allows a detailed description and analysis of dune patterns and migration.......Successive multibeam echo sounder surveys in tidal channels off Esbjerg (Denmark) on the North Sea coast reveal the dynamics of subaquatic compound dunes. Mainly driven by tidal currents, dune structures show complex migration patterns in all temporal and spatial scales. Common methods...... allows the application of a procedure, which has been a standard for the analysis of water waves for long times: The bathymetric signal of a cross-section of subaquatic compound dunes is approximated by the sum of a set of harmonic functions, derived by Fourier transformation. If the wavelength...

Elucidating distinct ion channel populations on the surface of hippocampal neurons via single-particle tracking recurrence analysis

Science.gov (United States)

Sikora, Grzegorz; Wyłomańska, Agnieszka; Gajda, Janusz; Solé, Laura; Akin, Elizabeth J.; Tamkun, Michael M.; Krapf, Diego

2017-12-01

Protein and lipid nanodomains are prevalent on the surface of mammalian cells. In particular, it has been recently recognized that ion channels assemble into surface nanoclusters in the soma of cultured neurons. However, the interactions of these molecules with surface nanodomains display a considerable degree of heterogeneity. Here, we investigate this heterogeneity and develop statistical tools based on the recurrence of individual trajectories to identify subpopulations within ion channels in the neuronal surface. We specifically study the dynamics of the K+ channel Kv1.4 and the Na+ channel Nav1.6 on the surface of cultured hippocampal neurons at the single-molecule level. We find that both these molecules are expressed in two different forms with distinct kinetics with regards to surface interactions, emphasizing the complex proteomic landscape of the neuronal surface. Further, the tools presented in this work provide new methods for the analysis of membrane nanodomains, transient confinement, and identification of populations within single-particle trajectories.

Dynamics at Solid State Surfaces and Interfaces, Volume 1 Current Developments

CERN Document Server

Bovensiepen, Uwe; Wolf, Martin

2010-01-01

This two-volume work covers ultrafast structural and electronic dynamics of elementary processes at solid surfaces and interfaces, presenting the current status of photoinduced processes. Providing valuable introductory information for newcomers to this booming field of research, it investigates concepts and experiments, femtosecond and attosecond time-resolved methods, as well as frequency domain techniques. The whole is rounded off by a look at future developments.

Dynamics and vibrations progress in nonlinear analysis

CERN Document Server

Kachapi, Seyed Habibollah Hashemi

2014-01-01

Dynamical and vibratory systems are basically an application of mathematics and applied sciences to the solution of real world problems. Before being able to solve real world problems, it is necessary to carefully study dynamical and vibratory systems and solve all available problems in case of linear and nonlinear equations using analytical and numerical methods. It is of great importance to study nonlinearity in dynamics and vibration; because almost all applied processes act nonlinearly, and on the other hand, nonlinear analysis of complex systems is one of the most important and complicated tasks, especially in engineering and applied sciences problems. There are probably a handful of books on nonlinear dynamics and vibrations analysis. Some of these books are written at a fundamental level that may not meet ambitious engineering program requirements. Others are specialized in certain fields of oscillatory systems, including modeling and simulations. In this book, we attempt to strike a balance between th...

Dynamic analysis of CHASNUPP steam generator structure during shipping

International Nuclear Information System (INIS)

Han Liangbi; Xu Jinkang; Zhou Meiwu; He Yinbiao

1998-07-01

The dynamic analysis of CHASNUPP steam generator during shipping is described, including the simplified mathematical model, acceleration power spectrum of ocean wave induced random vibration, the dynamic analysis of steam generator structure under random loading, the applied computer code and calculated results

Smooth perfluorinated surfaces with different chemical and physical natures: their unusual dynamic dewetting behavior toward polar and nonpolar liquids.

Science.gov (United States)

Cheng, Dalton F; Masheder, Benjamin; Urata, Chihiro; Hozumi, Atsushi

2013-09-10

The effects of surface chemistry and the mobility of surface-tethered functional groups of various perfluorinated surfaces on their dewetting behavior toward polar (water) and nonpolar (n-hexadecane, n-dodecane, and n-decane) liquids were investigated. In this study, three types of common smooth perfluorinated surfaces, that is, a perfluoroalkylsilane (heptadecafluoro-1,1,2,2-tetrahydrooctyl-dimethylchlorosilane, FAS17) monomeric layer, an amorphous fluoropolymer film (Teflon AF 1600), and a perfluorinated polyether (PFPE)-terminated polymer brush film (Optool DSX), were prepared and their static/dynamic dewetting characteristics were compared. Although the apparent static contact angles (CAs) of these surfaces with all probe liquids were almost identical to each other, the ease of movement of liquid drops critically depended on the physical (solidlike or liquidlike) natures of the substrate surface. CA hysteresis and substrate tilt angles (TAs) of all probe liquids on the Optool DSX surface were found to be much lower than those of Teflon AF1600 and FAS17 surfaces due to its physical polymer chain mobility at room temperature and the resulting liquidlike nature. Only 6.0° of substrate incline was required to initiate movement for a small drop (5 μL) of n-decane, which was comparable to the reported substrate TA value (5.3°) for a superoleophobic surface (θ(S) > 160°, textured perfluorinated surface). Such unusual dynamic dewetting behavior of the Optool DSX surface was also markedly enhanced due to the significant increase in the chain mobility of PFPE by moderate heating (70 °C) of the surface, with substrate TA reducing to 3.0°. CA hysteresis and substrate TAs rather than static CAs were therefore determined to be of greater consequence for the estimation of the actual dynamic dewetting behavior of alkane probe liquids on these smooth perfluorinated surfaces. Their dynamic dewettability toward alkane liquids is in the order of Optool DSX > Teflon AF1600 �

Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forces

Energy Technology Data Exchange (ETDEWEB)

Schrader, Alex M. [Department of Chemical Engineering, University of California, Santa Barbara, California 93106 (United States); Cheng, Chi-Yuan [Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106 (United States); Israelachvili, Jacob N. [Department of Chemical Engineering, University of California, Santa Barbara, California 93106 (United States); Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106 (United States); Materials Department, University of California, Santa Barbara, California 93106 (United States); Han, Songi [Department of Chemical Engineering, University of California, Santa Barbara, California 93106 (United States); Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106 (United States)

2016-07-28

Glycerol and dimethyl sulfoxide (DMSO) are commonly used cryoprotectants in cellular systems, but due to the challenges of measuring the properties of surface-bound solvent, fundamental questions remain regarding the concentration, interactions, and conformation of these solutes at lipid membrane surfaces. We measured the surface water diffusivity at gel-phase dipalmitoylphosphatidylcholine (DPPC) bilayer surfaces in aqueous solutions containing ≤7.5 mol. % of DMSO or glycerol using Overhauser dynamic nuclear polarization. We found that glycerol similarly affects the diffusivity of water near the bilayer surface and that in the bulk solution (within 20%), while DMSO substantially increases the diffusivity of surface water relative to bulk water. We compare these measurements of water dynamics with those of equilibrium forces between DPPC bilayers in the same solvent mixtures. DMSO greatly decreases the range and magnitude of the repulsive forces between the bilayers, whereas glycerol increases it. We propose that the differences in hydrogen bonding capability of the two solutes leads DMSO to dehydrate the lipid head groups, while glycerol affects surface hydration only as much as it affects the bulk water properties. The results suggest that the mechanism of the two most common cryoprotectants must be fundamentally different: in the case of DMSO by decoupling the solvent from the lipid surface, and in the case of glycerol by altering the hydrogen bond structure and intermolecular cohesion of the global solvent, as manifested by increased solvent viscosity.

Modal and Dynamic Analysis of a Vehicle with Kinetic Dynamic Suspension System

Directory of Open Access Journals (Sweden)

Bangji Zhang

2016-01-01

Full Text Available A novel kinetic dynamic suspension (KDS system is presented for the cooperative control of the roll and warp motion modes of off-road vehicles. The proposed KDS system consists of two hydraulic cylinders acting on the antiroll bars. Hence, the antiroll bars are not completely replaced by the hydraulic system, but both systems are installed. In this paper, the vibration analysis in terms of natural frequencies of different motion modes in frequency domain for an off-road vehicle equipped with different configurable suspension systems is studied by using the modal analysis method. The dynamic responses of the vehicle with different configurable suspension systems are investigated under different road excitations and maneuvers. The results of the modal and dynamic analysis prove that the KDS system can reduce the roll and articulation motions of the off-road vehicle without adding extra bounce stiffness and deteriorating the ride comfort. Furthermore, the roll stiffness is increased and the warp stiffness is decreased by the KDS system, which could significantly enhance handing performance and off-road capability.

Reaction dynamics of small molecules at metal surfaces

International Nuclear Information System (INIS)

Samson, P.A.

1999-09-01

The dissociation-desorption dynamics of D 2 upon the Sn/Pt(111) surface alloy are dependent on the surface concentration of Sn. The p(2 x 2) Sn/Pt(111) alloy surface (Θ Sn = 0.25 ML), is initially ∼30 times less reactive towards D 2 adsorption than clean Pt(111). On the (√3 x √3) R30 deg Sn/Pt(111) alloy surface (Θ Sn = 0.33 ML), increased inhibition of D 2 adsorption is reported, with S o ∼ 10 -5 at low energy, coinciding with the loss of stable Pt 3 hollow sites and a significant reduction in the D atom binding energy. Sticking on the √3 alloy is activated with an increased energy threshold of ∼280 meV, with no evidence that vibration enhances dissociation. The barrier to dissociation remains in the entrance channel before the D 2 bond begins to stretch. Vibrational excitation is, however, observed in nitrogen desorption from the catalytic reaction of NO + H 2 over Pd(110). For a surface at 600 K, N 2 vibrational state population ratios of P(v=1/v=0) = 0.50 ± 0.05 and P(v=2/v=0) = 0.60 ± 0.20 are reported. Desorption occurs via the N(ad) + N(ad) recombination channel with little energy released into translation and rotation. The translational energy release observed is dependent on the N 2 vibrational state, with translational temperatures of 425 K, 315 K and 180 K reported for the v=0, 1 and 2 states respectively. Sub-thermal energy releases and normally directed angular distributions suggest the influence of a trapping mechanism, recombining molecules scattering through a molecularly adsorbed state, with a transition state of large d NN responsible for the product vibrational excitation. Although N 2 dissociation on Fe(100) forms a simple overlayer structure, on Fe(110), molecular chemisorption does not occur at or above room temperature and the sticking is extremely small (∼10 -6 to 10 -7 ). Activated nitrogen bombardment can be used to prepare a 'surface nitride' with a structure related to the geometry of bulk Fe 4 N. Scanning tunnelling

Pectins, Hemicelluloses and Celluloses Show Specific Dynamics in the Internal and External Surfaces of Grape Berry Skin During Ripening.

Science.gov (United States)

Fasoli, Marianna; Dell'Anna, Rossana; Dal Santo, Silvia; Balestrini, Raffaella; Sanson, Andrea; Pezzotti, Mario; Monti, Francesca; Zenoni, Sara

2016-06-01

Grapevine berry skin is a complex structure that contributes to the final size and shape of the fruit and affects its quality traits. The organization of cell wall polysaccharides in situ and their modification during ripening are largely uncharacterized. The polymer structure of Corvina berry skin, its evolution during ripening and related modifying genes were determined by combing mid-infrared micro-spectroscopy and multivariate statistical analysis with transcript profiling and immunohistochemistry. Spectra were acquired in situ using a surface-sensitive technique on internal and external sides of the skin without previous sample pre-treatment, allowing comparison of the related cell wall polymer dynamics. The external surface featured cuticle-related bands; the internal surface showed more adsorbed water. Application of surface-specific normalization revealed the major molecular changes related to hemicelluloses and pectins in the internal surface and to cellulose and pectins in the external surface and that they occur between mid-ripening and full ripening in both sides of the skin. Transcript profiling of cell wall-modifying genes indicated a general suppression of cell wall metabolism during ripening. Genes related to pectin metabolism-a β-galactosidase, a pectin(methyl)esterase and a pectate lyase-and a xyloglucan endotransglucosylase/hydrolase, involved in hemicellulose modification, showed enhanced expression. In agreement with Fourier transform infrared spectroscopy, patterns due to pectin methyl esterification provided new insights into the relationship between pectin modifications and the associated transcript profile during skin ripening. This study proposes an original description of polymer dynamics in grape berries during ripening, highlighting differences between the internal and external sides of the skin. © The Author 2016. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For

Inverse analysis of inner surface temperature history from outer surface temperature measurement of a pipe

International Nuclear Information System (INIS)

Kubo, S; Ioka, S; Onchi, S; Matsumoto, Y

2010-01-01

When slug flow runs through a pipe, nonuniform and time-varying thermal stresses develop and there is a possibility that thermal fatigue occurs. Therefore it is necessary to know the temperature distributions and the stress distributions in the pipe for the integrity assessment of the pipe. It is, however, difficult to measure the inner surface temperature directly. Therefore establishment of the estimation method of the temperature history on inner surface of pipe is needed. As a basic study on the estimation method of the temperature history on the inner surface of a pipe with slug flow, this paper presents an estimation method of the temperature on the inner surface of a plate from the temperature on the outer surface. The relationship between the temperature history on the outer surface and the inner surface is obtained analytically. Using the results of the mathematical analysis, the inverse analysis method of the inner surface temperature history estimation from the outer surface temperature history is proposed. It is found that the inner surface temperature history can be estimated from the outer surface temperature history by applying the inverse analysis method, even when it is expressed by the multiple frequency components.

Hygrothermal analysis of surface layers of historical masonry

Science.gov (United States)

Kočí, Václav; Maděra, Jiří; Keppert, Martin; Černý, Robert

2017-11-01

The paper deals with the hygrothermal analysis of surface layers of historical masonry. Solid brick provided with a traditional and two modified lime-based plasters is studied. The heat and moisture transport in the envelope is induced by an exposure of the wall from the exterior side to dynamic climatic conditions of Olomouc, Czech Republic. The transport processes are described using diffusion type of mathematical model based on experimentally determined material properties. The computational results indicate that hygric transport and accumulation properties of exterior plasters affect the hygrothermal performance of the underlying solid brick in a very significant way, being able to regulate the amount of transported moisture. The modified lime plasters are not found generally superior to the traditional lime plasters in that respect. Therefore, their suitability for historical masonry should be assessed case by case, with a particular attention to the climatic conditions and to the properties of the load bearing structure.

Report on Microgravity Experiments of Dynamic Surface Deformation Effects on Marangoni Instability in High-Prandtl-Number Liquid Bridges

Science.gov (United States)

Yano, Taishi; Nishino, Koichi; Matsumoto, Satoshi; Ueno, Ichiro; Komiya, Atsuki; Kamotani, Yasuhiro; Imaishi, Nobuyuki

2018-04-01

This paper reports an overview and some important results of microgravity experiments called Dynamic Surf, which have been conducted on board the International Space Station from 2013 to 2016. The present project mainly focuses on the relations between the Marangoni instability in a high-Prandtl-number (Pr= 67 and 112) liquid bridge and the dynamic free surface deformation (DSD) as well as the interfacial heat transfer. The dynamic free surface deformations of large-scale liquid bridges (say, for diameters greater than 10 mm) are measured with good accuracy by an optical imaging technique. It is found that there are two causes of the dynamic free surface deformation in the present study: the first is the time-dependent flow behavior inside the liquid bridge due to the Marangoni instability, and the second is the external disturbance due to the residual acceleration of gravity, i.e., g-jitter. The axial distributions of DSD along the free surface are measured for several conditions. The critical parameters for the onset of oscillatory Marangoni convection are also measured for various aspect ratios (i.e., relative height to the diameter) of the liquid bridge and various thermal boundary conditions. The characteristics of DSD and the onset conditions of instability are discussed in this paper.

Molecular Dynamics Simulations of Water Nanodroplets on Silica Surfaces

DEFF Research Database (Denmark)

Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard L.

2009-01-01

and DNA microarrays technologies.4,5,6,7,8 Although extensive experimental, theoretical and computational work has been devoted to study the nature of the interaction between silica and water,2,9-16 at the molecular level a complete understanding of silica-water systems has not been reached. Contact angle...... computations of water droplets on silica surfaces offers a useful fundamental and quantitative measurement in order to study chemical and physical properties of water-silica systems.3,16,17,18 For hydrophobic systems the static and dynamic properties of the fluid-solid interface are influenced by the presence...

Applications of ion scattering in surface analysis

International Nuclear Information System (INIS)

Armour, D.G.

1981-01-01

The study of ion scattering from surfaces has made an increasingly important contribution both to the development of highly surface specific analysis techniques and to the understanding of the atomic collision processes associated with ion bombardment of solid surfaces. From an analysis point of view, by appropriate choice of parameters such as ion energy and species, scattering geometry and target temperature, it is possible to study not only the composition of the surface layer but also the detailed atomic arrangement. The ion scattering technique is thus particularly useful for the study of surface compositional and structural changes caused by adsorption, thermal annealing or ion bombardment treatments of simple or composite materials. Ion bombardment induced desorption, damage or atomic mixing can also be effectively studied using scattering techniques. By reviewing the application of the technique to a variety of these technologically important surface investigations, it is possible to illustrate the way in which ion scattering has developed as the understanding of the underlying physics has improved. (author)

A highly accurate dynamic contact angle algorithm for drops on inclined surface based on ellipse-fitting.

Science.gov (United States)

Xu, Z N; Wang, S Y

2015-02-01

To improve the accuracy in the calculation of dynamic contact angle for drops on the inclined surface, a significant number of numerical drop profiles on the inclined surface with different inclination angles, drop volumes, and contact angles are generated based on the finite difference method, a least-squares ellipse-fitting algorithm is used to calculate the dynamic contact angle. The influences of the above three factors are systematically investigated. The results reveal that the dynamic contact angle errors, including the errors of the left and right contact angles, evaluated by the ellipse-fitting algorithm tend to increase with inclination angle/drop volume/contact angle. If the drop volume and the solid substrate are fixed, the errors of the left and right contact angles increase with inclination angle. After performing a tremendous amount of computation, the critical dimensionless drop volumes corresponding to the critical contact angle error are obtained. Based on the values of the critical volumes, a highly accurate dynamic contact angle algorithm is proposed and fully validated. Within nearly the whole hydrophobicity range, it can decrease the dynamic contact angle error in the inclined plane method to less than a certain value even for different types of liquids.

Molecular dynamics simulations of ejecta production from sinusoidal tin surfaces under supported and unsupported shocks

Science.gov (United States)

Wu, Bao; Wu, FengChao; Zhu, YinBo; Wang, Pei; He, AnMin; Wu, HengAn

2018-04-01

Micro-ejecta, an instability growth process, occurs at metal/vacuum or metal/gas interface when compressed shock wave releases from the free surface that contains surface defects. We present molecular dynamics (MD) simulations to investigate the ejecta production from tin surface shocked by supported and unsupported waves with pressures ranging from 8.5 to 60.8 GPa. It is found that the loading waveforms have little effect on spike velocity while remarkably affect the bubble velocity. The bubble velocity of unsupported shock loading remains nonzero constant value at late time as observed in experiments. Besides, the time evolution of ejected mass in the simulations is compared with the recently developed ejecta source model, indicating the suppressed ejection of unmelted or partial melted materials. Moreover, different reference positions are chosen to characterize the amount of ejecta under different loading waveforms. Compared with supported shock case, the ejected mass of unsupported shock case saturates at lower pressure. Through the analysis on unloading path, we find that the temperature of tin sample increases quickly from tensile stress state to zero pressure state, resulting in the melting of bulk tin under decaying shock. Thus, the unsupported wave loading exhibits a lower threshold pressure causing the solid-liquid phase transition on shock release than the supported shock loading.

Dynamic performances analysis of a real vehicle driving

Science.gov (United States)

Abdullah, M. A.; Jamil, J. F.; Salim, M. A.

2015-12-01

Vehicle dynamic is the effects of movement of a vehicle generated from the acceleration, braking, ride and handling activities. The dynamic behaviours are determined by the forces from tire, gravity and aerodynamic which acting on the vehicle. This paper emphasizes the analysis of vehicle dynamic performance of a real vehicle. Real driving experiment on the vehicle is conducted to determine the effect of vehicle based on roll, pitch, and yaw, longitudinal, lateral and vertical acceleration. The experiment is done using the accelerometer to record the reading of the vehicle dynamic performance when the vehicle is driven on the road. The experiment starts with weighing a car model to get the center of gravity (COG) to place the accelerometer sensor for data acquisition (DAQ). The COG of the vehicle is determined by using the weight of the vehicle. A rural route is set to launch the experiment and the road conditions are determined for the test. The dynamic performance of the vehicle are depends on the road conditions and driving maneuver. The stability of a vehicle can be controlled by the dynamic performance analysis.

SURFACE TEXTURE ANALYSIS FOR FUNCTIONALITY CONTROL

DEFF Research Database (Denmark)

De Chiffre, Leonardo; Andreasen, Jan Lasson; Tosello, Guido

This document is used in connection with three exercises of 3 hours duration as a part of the course VISION ONLINE – One week course on Precision & Nanometrology. The exercises concern surface texture analysis for functionality control, in connection with three different case stories. This docume...... contains a short description of each case story, 3-D roughness parameters analysis and relation with the product’s functionality.......This document is used in connection with three exercises of 3 hours duration as a part of the course VISION ONLINE – One week course on Precision & Nanometrology. The exercises concern surface texture analysis for functionality control, in connection with three different case stories. This document...

Methods for dynamic investigations of surface-attached in vitro bacterial and fungal biofilms

DEFF Research Database (Denmark)

Sternberg, Claus; Bjarnsholt, Thomas; Shirtliff, Mark

2014-01-01

Three dynamic models for the investigation of in vitro biofilm formation are described in this chapter. In the 6-well plate assay presented here, the placing of the plate on a rotating platform provides shear, thereby making the system dynamic with respect to the static microtiter assay.The second...... reported model, especially suitable for harvesting high amounts of cells for transcriptomic or proteomic investigations, is based on numerous glass beads placed in a flask incubated with shaking on a rotating platform, thus increasing the surface area for biofilm formation. Finally, the flow-cell system...

Coupling surface and mantle dynamics: A novel experimental approach

Science.gov (United States)

Kiraly, Agnes; Faccenna, Claudio; Funiciello, Francesca; Sembroni, Andrea

2015-05-01

Recent modeling shows that surface processes, such as erosion and deposition, may drive the deformation of the Earth's surface, interfering with deeper crustal and mantle signals. To investigate the coupling between the surface and deep process, we designed a three-dimensional laboratory apparatus, to analyze the role of erosion and sedimentation, triggered by deep mantle instability. The setup is constituted and scaled down to natural gravity field using a thin viscous sheet model, with mantle and lithosphere simulated by Newtonian viscous glucose syrup and silicon putty, respectively. The surface process is simulated assuming a simple erosion law producing the downhill flow of a thin viscous material away from high topography. The deep mantle upwelling is triggered by the rise of a buoyant sphere. The results of these models along with the parametric analysis show how surface processes influence uplift velocity and topography signals.

Spatiotemporal dynamics of surface water networks across a global biodiversity hotspot—implications for conservation

International Nuclear Information System (INIS)

Tulbure, Mirela G; Broich, Mark; Kininmonth, Stuart

2014-01-01

The concept of habitat networks represents an important tool for landscape conservation and management at regional scales. Previous studies simulated degradation of temporally fixed networks but few quantified the change in network connectivity from disintegration of key features that undergo naturally occurring spatiotemporal dynamics. This is particularly of concern for aquatic systems, which typically show high natural spatiotemporal variability. Here we focused on the Swan Coastal Plain, a bioregion that encompasses a global biodiversity hotspot in Australia with over 1500 water bodies of high biodiversity. Using graph theory, we conducted a temporal analysis of water body connectivity over 13 years of variable climate. We derived large networks of surface water bodies using Landsat data (1999–2011). We generated an ensemble of 278 potential networks at three dispersal distances approximating the maximum dispersal distance of different water dependent organisms. We assessed network connectivity through several network topology metrics and quantified the resilience of the network topology during wet and dry phases. We identified ‘stepping stone’ water bodies across time and compared our networks with theoretical network models with known properties. Results showed a highly dynamic seasonal pattern of variability in network topology metrics. A decline in connectivity over the 13 years was noted with potential negative consequences for species with limited dispersal capacity. The networks described here resemble theoretical scale-free models, also known as ‘rich get richer’ algorithm. The ‘stepping stone’ water bodies are located in the area around the Peel-Harvey Estuary, a Ramsar listed site, and some are located in a national park. Our results describe a powerful approach that can be implemented when assessing the connectivity for a particular organism with known dispersal distance. The approach of identifying the surface water bodies that act as

Directional and dynamic modulation of the optical emission of an individual GaAs nanowire using surface acoustic waves.

Science.gov (United States)

Kinzel, Jörg B; Rudolph, Daniel; Bichler, Max; Abstreiter, Gerhard; Finley, Jonathan J; Koblmüller, Gregor; Wixforth, Achim; Krenner, Hubert J

2011-04-13

We report on optical experiments performed on individual GaAs nanowires and the manipulation of their temporal emission characteristics using a surface acoustic wave. We find a pronounced, characteristic suppression of the emission intensity for the surface acoustic wave propagation aligned with the axis of the nanowire. Furthermore, we demonstrate that this quenching is dynamical as it shows a pronounced modulation as the local phase of the surface acoustic wave is tuned. These effects are strongly reduced for a surface acoustic wave applied in the direction perpendicular to the axis of the nanowire due to their inherent one-dimensional geometry. We resolve a fully dynamic modulation of the nanowire emission up to 678 MHz not limited by the physical properties of the nanowires.

Dynamic thermal analysis of machines in running state

CERN Document Server

Wang, Lihui

2014-01-01

With the increasing complexity and dynamism in today’s machine design and development, more precise, robust and practical approaches and systems are needed to support machine design. Existing design methods treat the targeted machine as stationery. Analysis and simulation are mostly performed at the component level. Although there are some computer-aided engineering tools capable of motion analysis and vibration simulation etc., the machine itself is in the dry-run state. For effective machine design, understanding its thermal behaviours is crucial in achieving the desired performance in real situation. Dynamic Thermal Analysis of Machines in Running State presents a set of innovative solutions to dynamic thermal analysis of machines when they are put under actual working conditions. The objective is to better understand the thermal behaviours of a machine in real situation while at the design stage. The book has two major sections, with the first section presenting a broad-based review of the key areas of ...

Modeling capillary bridge dynamics and crack healing between surfaces of nanoscale roughness

Science.gov (United States)

Soylemez, Emrecan; de Boer, Maarten P.

2017-12-01

Capillary bridge formation between adjacent surfaces in humid environments is a ubiquitous phenomenon. It strongly influences tribological performance with respect to adhesion, friction and wear. Only a few studies, however, assess effects due to capillary dynamics. Here we focus on how capillary bridge evolution influences crack healing rates. Experimental results indicated a logarithmic decrease in average crack healing velocity as the energy release rate increases. Our objective is to model that trend. We assume that capillary dynamics involve two mechanisms: capillary bridge growth and subsequently nucleation followed by growth. We show that by incorporating interface roughness details and the presence of an adsorbed water layer, the behavior of capillary force dynamics can be understood quantitatively. We identify three important regimes that control the healing process, namely bridge growth, combined bridge growth and nucleation, and finally bridge nucleation. To fully capture the results, however, the theoretical model for nucleation time required an empirical modification. Our model enables significant insight into capillary bridge dynamics, with a goal of attaining a predictive capability for this important microelectromechanical systems (MEMS) reliability failure mechanism.

Static Analysis for Dynamic XML

DEFF Research Database (Denmark)

Christensen, Aske Simon; Møller, Anders; Schwartzbach, Michael Ignatieff

2002-01-01

We describe the summary graph lattice for dataflow analysis of programs that dynamically construct XML documents. Summary graphs have successfully been used to provide static guarantees in the JWIG language for programming interactive Web services. In particular, the JWIG compiler is able to check...

The surface analysis methods; Les methodes d`analyse des surfaces

Energy Technology Data Exchange (ETDEWEB)

Deville, J.P. [Institut de Physique et Chimie, 67 - Strasbourg (France)

1998-11-01

Nowadays, there are a lot of surfaces analysis methods, each having its specificity, its qualities, its constraints (for instance vacuum) and its limits. Expensive in time and in investment, these methods have to be used deliberately. This article appeals to non specialists. It gives some elements of choice according to the studied information, the sensitivity, the use constraints or the answer to a precise question. After having recalled the fundamental principles which govern these analysis methods, based on the interaction between radiations (ultraviolet, X) or particles (ions, electrons) with matter, two methods will be more particularly described: the Auger electron spectroscopy (AES) and x-rays photoemission spectroscopy (ESCA or XPS). Indeed, they are the most widespread methods in laboratories, the easier for use and probably the most productive for the analysis of surface of industrial materials or samples submitted to treatments in aggressive media. (O.M.) 11 refs.

Comprehensive study of rheological and surface properties of the selected slag system in the context of its internal structure

Directory of Open Access Journals (Sweden)

L. Řeháčková

2016-10-01

Full Text Available Rheological (dynamic viscosity, flow curves and surface properties (surface tension of real slag system were experimentally investigated. Measurements of dynamic viscosity were performed with use of the high-temperature viscometer Anton Paar FRS 1 600. The method of sessile drop was used for measurement of surface tension. Surface tension and dynamic viscosity were measured in the temperature interval from 1 200 to 1 600 °C. The structural characteristics of the selected samples were determined by X-ray diffraction (XRD. The samples for given analysis were prepared by quench cooling. Experimentally determined values of dynamic viscosity and surface tension were compared with the results of X-ray diffraction phase analysis.

Research on the dynamic response of high-contact-ratio spur gears influenced by surface roughness under EHL condition

Science.gov (United States)

Kang, Huang; Xiong, Yangshou; Wang, Tao; Chen, Qi

2017-01-01

Employing high-contact-ratio (HCR) gear is an effective method of decreasing the load on a single tooth, as well as reducing vibration and noise. While the spindlier tooth leads to greater relative sliding, having more teeth participate in contact at the same time makes the HCR gear more sensitive to the surface quality. Available literature regarding HCR gear primarily investigates the geometrical optimization, load distribution, or efficiency calculation. Limited work has been conducted on the effect of rough surfaces on the dynamic performance of HCR gear. For this reason, a multi-degree-of-freedom (MDOF) model is presented mathematically to characterize the static transmission error based on fractal theory, investigate the relative sliding friction using an EHL-based friction coefficient formula, and detail the time-varying friction coefficient suitable for HCR gear. Based on numerical results, the surface roughness has little influence on system response in terms of the dynamic transmission error but has a large effect on the motion in off-line-of-action (OLOA) direction and friction force. The impact of shaft-bearing stiffness and damping ratio is also explored with results revealing that a greater shaft-bearing stiffness is beneficial in obtaining a more stable motion in OLOA direction, and a larger damping ratio results in a smaller effective friction force. The theory presented in this report outlines a new method of analyzing the dynamics of HCR gear in respect of introducing surface roughness into MDOF model directly, as well as establishing an indirect relationship between dynamic responses and surface roughness. This method is expected to guide surface roughness design and manufacturing in the future.

Molecular dynamics simulation of self-diffusion processes in titanium in bulk material, on grain junctions and on surface.

Science.gov (United States)

Sushko, Gennady B; Verkhovtsev, Alexey V; Yakubovich, Alexander V; Schramm, Stefan; Solov'yov, Andrey V

2014-08-21

The process of self-diffusion of titanium atoms in a bulk material, on grain junctions and on surface is explored numerically in a broad temperature range by means of classical molecular dynamics simulation. The analysis is carried out for a nanoscale cylindrical sample consisting of three adjacent sectors and various junctions between nanocrystals. The calculated diffusion coefficient varies by several orders of magnitude for different regions of the sample. The calculated values of the bulk diffusion coefficient correspond reasonably well to the experimental data obtained for solid and molten states of titanium. Investigation of diffusion in the nanocrystalline titanium is of a significant importance because of its numerous technological applications. This paper aims to reduce the lack of data on diffusion in titanium and describe the processes occurring in bulk, at different interfaces and on surface of the crystalline titanium.

Steady Method for the Analysis of Evaporation Dynamics.

Science.gov (United States)

Günay, A Alperen; Sett, Soumyadip; Oh, Junho; Miljkovic, Nenad

2017-10-31

Droplet evaporation is an important phenomenon governing many man-made and natural processes. Characterizing the rate of evaporation with high accuracy has attracted the attention of numerous scientists over the past century. Traditionally, researchers have studied evaporation by observing the change in the droplet size in a given time interval. However, the transient nature coupled with the significant mass-transfer-governed gas dynamics occurring at the droplet three-phase contact line makes the classical method crude. Furthermore, the intricate balance played by the internal and external flows, evaporation kinetics, thermocapillarity, binary-mixture dynamics, curvature, and moving contact lines makes the decoupling of these processes impossible with classical transient methods. Here, we present a method to measure the rate of evaporation of spatially and temporally steady droplets. By utilizing a piezoelectric dispenser to feed microscale droplets (R ≈ 9 μm) to a larger evaporating droplet at a prescribed frequency, we can both create variable-sized droplets on any surface and study their evaporation rate by modulating the piezoelectric droplet addition frequency. Using our steady technique, we studied water evaporation of droplets having base radii ranging from 20 to 250 μm on surfaces of different functionalities (45° ≤ θ a,app ≤ 162°, where θ a,app is the apparent advancing contact angle). We benchmarked our technique with the classical unsteady method, showing an improvement of 140% in evaporation rate measurement accuracy. Our work not only characterizes the evaporation dynamics on functional surfaces but also provides an experimental platform to finally enable the decoupling of the complex physics governing the ubiquitous droplet evaporation process.

Nonlinear analysis of dynamic signature

Science.gov (United States)

Rashidi, S.; Fallah, A.; Towhidkhah, F.

2013-12-01

Signature is a long trained motor skill resulting in well combination of segments like strokes and loops. It is a physical manifestation of complex motor processes. The problem, generally stated, is that how relative simplicity in behavior emerges from considerable complexity of perception-action system that produces behavior within an infinitely variable biomechanical and environmental context. To solve this problem, we present evidences which indicate that motor control dynamic in signing process is a chaotic process. This chaotic dynamic may explain a richer array of time series behavior in motor skill of signature. Nonlinear analysis is a powerful approach and suitable tool which seeks for characterizing dynamical systems through concepts such as fractal dimension and Lyapunov exponent. As a result, they can be analyzed in both horizontal and vertical for time series of position and velocity. We observed from the results that noninteger values for the correlation dimension indicates low dimensional deterministic dynamics. This result could be confirmed by using surrogate data tests. We have also used time series to calculate the largest Lyapunov exponent and obtain a positive value. These results constitute significant evidence that signature data are outcome of chaos in a nonlinear dynamical system of motor control.

Static and dynamic friction of hierarchical surfaces.

Science.gov (United States)

Costagliola, Gianluca; Bosia, Federico; Pugno, Nicola M

2016-12-01

Hierarchical structures are very common in nature, but only recently have they been systematically studied in materials science, in order to understand the specific effects they can have on the mechanical properties of various systems. Structural hierarchy provides a way to tune and optimize macroscopic mechanical properties starting from simple base constituents and new materials are nowadays designed exploiting this possibility. This can be true also in the field of tribology. In this paper we study the effect of hierarchical patterned surfaces on the static and dynamic friction coefficients of an elastic material. Our results are obtained by means of numerical simulations using a one-dimensional spring-block model, which has previously been used to investigate various aspects of friction. Despite the simplicity of the model, we highlight some possible mechanisms that explain how hierarchical structures can significantly modify the friction coefficients of a material, providing a means to achieve tunability.

High-precision drop shape analysis (HPDSA) of quasistatic contact angles on silanized silicon wafers with different surface topographies during inclining-plate measurements: Influence of the surface roughness on the contact line dynamics

International Nuclear Information System (INIS)

Heib, F.; Hempelmann, R.; Munief, W.M.; Ingebrandt, S.; Fug, F.; Possart, W.; Groß, K.; Schmitt, M.

2015-01-01

Highlights: • Analysis of the triple line motion on surfaces with nanoscale surface topographies. • Analysis of the triple line motion is performed in sub-pixel resolution. • A special fitting and statistical approach for contact angle analysis is applied. • The analyses result set of contact angle data which is independent of “user-skills”. • Characteristically density distributions in dependence on the surface properties. - Abstract: Contact angles and wetting of solid surfaces are strongly influenced by the physical and chemical properties of the surfaces. These influence quantities are difficult to distinguish from each other if contact angle measurements are performed by measuring only the advancing θ a and the receding θ r contact angle. In this regard, time-dependent water contact angles are measured on two hydrophobic modified silicon wafers with different physical surface topographies. The first surface is nearly atomically flat while the second surface is patterned (alternating flat and nanoscale rough patterns) which is synthesized by a photolithography and etching procedure. The different surface topographies are characterized with atomic force microscopy (AFM), Fourier transform infrared reflection absorption spectroscopy (FTIRRAS) and Fourier transform infrared attenuated total reflection spectroscopy (FTIR-ATR). The resulting set of contact angle data obtained by the high-precision drop shape analysis approach is further analyzed by a Gompertzian fitting procedure and a statistical counting procedure in dependence on the triple line velocity. The Gompertzian fit is used to analyze overall properties of the surface and dependencies between the motion on the front and the back edge of the droplets. The statistical counting procedure results in the calculation of expectation values E(p) and standard deviations σ(p) for the inclination angle φ, contact angle θ, triple line velocity vel and the covered distance of the triple line dis

High-precision drop shape analysis (HPDSA) of quasistatic contact angles on silanized silicon wafers with different surface topographies during inclining-plate measurements: Influence of the surface roughness on the contact line dynamics

Energy Technology Data Exchange (ETDEWEB)

Heib, F., E-mail: f.heib@mx.uni-saarland.de [Department of Physical Chemistry, Saarland University, 66123 Saarbrücken (Germany); Hempelmann, R. [Department of Physical Chemistry, Saarland University, 66123 Saarbrücken (Germany); Munief, W.M.; Ingebrandt, S. [Department of Informatics and Microsystem Technology, University of Applied Sciences, Kaiserslautern, 66482 Zweibrücken (Germany); Fug, F.; Possart, W. [Department of Adhesion and Interphases in Polymers, Saarland University, 66123 Saarbrücken (Germany); Groß, K.; Schmitt, M. [Department of Physical Chemistry, Saarland University, 66123 Saarbrücken (Germany)

2015-07-01

Highlights: • Analysis of the triple line motion on surfaces with nanoscale surface topographies. • Analysis of the triple line motion is performed in sub-pixel resolution. • A special fitting and statistical approach for contact angle analysis is applied. • The analyses result set of contact angle data which is independent of “user-skills”. • Characteristically density distributions in dependence on the surface properties. - Abstract: Contact angles and wetting of solid surfaces are strongly influenced by the physical and chemical properties of the surfaces. These influence quantities are difficult to distinguish from each other if contact angle measurements are performed by measuring only the advancing θ{sub a} and the receding θ{sub r} contact angle. In this regard, time-dependent water contact angles are measured on two hydrophobic modified silicon wafers with different physical surface topographies. The first surface is nearly atomically flat while the second surface is patterned (alternating flat and nanoscale rough patterns) which is synthesized by a photolithography and etching procedure. The different surface topographies are characterized with atomic force microscopy (AFM), Fourier transform infrared reflection absorption spectroscopy (FTIRRAS) and Fourier transform infrared attenuated total reflection spectroscopy (FTIR-ATR). The resulting set of contact angle data obtained by the high-precision drop shape analysis approach is further analyzed by a Gompertzian fitting procedure and a statistical counting procedure in dependence on the triple line velocity. The Gompertzian fit is used to analyze overall properties of the surface and dependencies between the motion on the front and the back edge of the droplets. The statistical counting procedure results in the calculation of expectation values E(p) and standard deviations σ(p) for the inclination angle φ, contact angle θ, triple line velocity vel and the covered distance of the triple

Effect of Surface Tension Anisotropy and Welding Parameters on Initial Instability Dynamics During Solidification: A Phase-Field Study

Science.gov (United States)

Yu, Fengyi; Wei, Yanhong

2018-05-01

The effects of surface tension anisotropy and welding parameters on initial instability dynamics during gas tungsten arc welding of an Al-alloy are investigated by a quantitative phase-field model. The results show that the surface tension anisotropy and welding parameters affect the initial instability dynamics in different ways during welding. The surface tension anisotropy does not influence the solute diffusion process but does affect the stability of the solid/liquid interface during solidification. The welding parameters affect the initial instability dynamics by varying the growth rate and thermal gradient. The incubation time decreases, and the initial wavelength remains stable as the welding speed increases. When welding power increases, the incubation time increases and the initial wavelength slightly increases. Experiments were performed for the same set of welding parameters used in modeling, and the results of the experiments and simulations were in good agreement.

Influence of foundation mass and surface roughness on dynamic response of beam on dynamic foundation subjected to the moving load

Science.gov (United States)

Tran Quoc, Tinh; Khong Trong, Toan; Luong Van, Hai

2018-04-01

In this paper, Improved Moving Element Method (IMEM) is used to analyze the dynamic response of Euler-Bernoulli beam structures on the dynamic foundation model subjected to the moving load. The effects of characteristic foundation model parameters such as Winkler stiffness, shear layer based on the Pasternak model, viscoelastic dashpot and characteristic parameter of mass on foundation. Beams are modeled by moving elements while the load is fixed. Based on the principle of the publicly virtual balancing and the theory of moving element method, the motion differential equation of the system is established and solved by means of the numerical integration based on the Newmark algorithm. The influence of mass on foundation and the roughness of the beam surface on the dynamic response of beam are examined in details.

Evaluation of flow accelerated corrosion by coupled analysis of corrosion and flow dynamics (1), major features of coupled analysis and application for evaluation of wall thinning rate

International Nuclear Information System (INIS)

Naitoh, Masanori; Uchida, Shunsuke; Okada, Hidetoshi; Uehara, Yasushi; Koshizuka, Seiichi

2009-01-01

Six calculation steps have been prepared for predicting flow accelerated corrosion (FAC) occurrence and evaluating wall thinning rate. (1) Flow pattern and temperature in each elemental volume along the flow path are obtained with a 1D plant system code, (2) Corrosive conditions, e.g., oxygen concentration and electrochemical corrosion potential (ECP) along the flow path are calculated with a hydrazine-oxygen reaction code, (3) Precise flow patterns and mass transfer coefficients at the structure surface are calculated with a 3D CFD code, (4) Danger zones are evaluated by combining major FAC parameters, (5) Wall thinning rates are calculated with the coupled models of static electrochemical analysis and dynamic double oxide layer analysis at the identified danger zone, and then, (6) Residual life and effects of countermeasures can be evaluated. Anodic and cathodic current densities and ECPs were calculated with the static electrochemistry model, and ferrous ion release rate determined by the anodic current density was used as input for the dynamic double oxide layer model. Thickness of the oxide film and its characteristics determined by the dynamic double oxide layer model were used for the electrochemistry model to determine the resistances of cathodic current from the bulk to the surface and anodic current from the surface to the bulk. The calculated results of the coupled models had been compared with the data measured at operating Boiling Water Reactor (BWR) plants and it was demonstrated that the calculated results had good agreements with the measured ones. 6 step-evaluation procedures for liquid droplet impingement (LDI) were also proposed. (author)

Surface structure analysis by means of Rutherford scattering: methods to study surface relaxation

International Nuclear Information System (INIS)

Turkenburg, W.C.; Soszka, W.; Saris, F.W.; Kersten, H.H.; Colenbrander, B.G.

1976-01-01

The use of Rutherford backscattering for structural analysis of single crystal surfaces is reviewed, and a new method is introduced. With this method, which makes use of the channeling and blocking phenomenon of light ions of medium energy, surface atoms can be located with a precision of 0.02 A. This is demonstrated in a measurement of surface relaxation for the Cu(110) surface. (Auth.)

Dynamic Impacts of Water Droplets onto Icephobic Soft Surfaces at High Weber Numbers

Science.gov (United States)

Ma, Liqun; Liu, Yang; Hu, Hui; Wang, Wei; Kota, Arun

2017-11-01

An experimental investigation was performed to examine the effects of the stiffness of icephobic soft PDMS materials on the impact dynamics of water drops at high weber numbers pertinent to aircraft icing phenomena. The experimental study was performed in the Icing Research Tunnel available at Iowa State University (ISU-IRT). During the experiments, both the shear modulus of the soft PDMS surface and the Weber numbers of the impinging water droplets are controlled for the comparative study. While the shear modulus of the soft PDMS surface was changed by tuning the recipes to make the PDMS materials, the Weber number of the impinging water droplets was altered by adjusting the airflow speed in the wind tunnel. A suite of advanced flow diagnostic techniques, which include high-speed photographic imaging, digital image projection (DIP), and infrared (IR) imaging thermometry, were used to quantify the transient behavior of water droplet impingement, unsteady heat transfer and dynamic ice accreting process over the icephobic soft airfoil surfaces. The findings derived from the icing physics studies can be used to improve current icing accretion models for more accurate prediction of ice formation and accretion on aircraft wings and to develop effective anti-/deicing strategies for safer and more efficient operation of aircraft in cold weather.

SECTION 6.2 SURFACE TOPOGRAPHY ANALYSIS

DEFF Research Database (Denmark)

Seah, M. P.; De Chiffre, Leonardo

2005-01-01

Surface physical analysis, i.e. topography characterisation, encompasses measurement, visualisation, and quantification. This is critical for both component form and for surface finish at macro-, micro- and nano-scales. The principal methods of surface topography measurement are stylus profilometry......, optical scanning techniques, and scanning probe microscopy (SPM). These methods, based on acquisition of topography data from point by point scans, give quantitative information of heights with respect to position. Based on a different approach, the so-called integral methods produce parameters...

Water Dynamics in Protein Hydration Shells: The Molecular Origins of the Dynamical Perturbation

Science.gov (United States)

2014-01-01

Protein hydration shell dynamics play an important role in biochemical processes including protein folding, enzyme function, and molecular recognition. We present here a comparison of the reorientation dynamics of individual water molecules within the hydration shell of a series of globular proteins: acetylcholinesterase, subtilisin Carlsberg, lysozyme, and ubiquitin. Molecular dynamics simulations and analytical models are used to access site-resolved information on hydration shell dynamics and to elucidate the molecular origins of the dynamical perturbation of hydration shell water relative to bulk water. We show that all four proteins have very similar hydration shell dynamics, despite their wide range of sizes and functions, and differing secondary structures. We demonstrate that this arises from the similar local surface topology and surface chemical composition of the four proteins, and that such local factors alone are sufficient to rationalize the hydration shell dynamics. We propose that these conclusions can be generalized to a wide range of globular proteins. We also show that protein conformational fluctuations induce a dynamical heterogeneity within the hydration layer. We finally address the effect of confinement on hydration shell dynamics via a site-resolved analysis and connect our results to experiments via the calculation of two-dimensional infrared spectra. PMID:24479585

Surface Ship Shock Modeling and Simulation: Two-Dimensional Analysis

Directory of Open Access Journals (Sweden)

Young S. Shin

1998-01-01

Full Text Available The modeling and simulation of the response of a surface ship system to underwater explosion requires an understanding of many different subject areas. These include the process of underwater explosion events, shock wave propagation, explosion gas bubble behavior and bubble-pulse loading, bulk and local cavitation, free surface effect, fluid-structure interaction, and structural dynamics. This paper investigates the effects of fluid-structure interaction and cavitation on the response of a surface ship using USA-NASTRAN-CFA code. First, the one-dimensional Bleich-Sandler model is used to validate the approach, and second, the underwater shock response of a two-dimensional mid-section model of a surface ship is predicted with a surrounding fluid model using a constitutive equation of a bilinear fluid which does not allow transmission of negative pressures.

Roughness analysis applied to niobium thin films grown on MgO(001) surfaces for superconducting radio frequency cavity applications

Energy Technology Data Exchange (ETDEWEB)

Beringer, D. B. [College of William and Mary, Williamsburg, VA (United States). Dept. of Physics; Roach, W. M. [College of William and Mary, Williamsburg, VA (United States). Dept. of Applied Science; Clavero, C. [College of William and Mary, Williamsburg, VA (United States). Dept. of Applied Science; Reece, C. E. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Lukaszew, R. A. [College of William and Mary, Williamsburg, VA (United States). Dept. of Physics; College of William and Mary, Williamsburg, VA (United States). Dept. of Applied Science

2013-02-05

This paper describes surface studies to address roughness issues inherent to thin film coatings deposited onto superconducting radio frequency (SRF) cavities. This is particularly relevant for multilayered thin film coatings that are being considered as a possible scheme to overcome technical issues and to surpass the fundamental limit of ~500 MV/m accelerating gradient achievable with bulk niobium. In 2006, a model by Gurevich [ Appl. Phys. Lett. 88 012511 (2006)] was proposed to overcome this limit that involves coating superconducting layers separated by insulating ones onto the inner walls of the cavities. Thus, we have undertaken a systematic effort to understand the dynamic evolution of the Nb surface under specific deposition thin film conditions onto an insulating surface in order to explore the feasibility of the proposed model. We examine and compare the morphology from two distinct Nb/MgO series, each with its own epitaxial registry, at very low growth rates and closely examine the dynamical scaling of the surface features during growth. Further, we apply analysis techniques such as power spectral density to the specific problem of thin film growth and roughness evolution to qualify the set of deposition conditions that lead to successful SRF coatings.

Inferring Ice Thickness from a Glacier Dynamics Model and Multiple Surface Datasets.

Science.gov (United States)

Guan, Y.; Haran, M.; Pollard, D.

2017-12-01

The future behavior of the West Antarctic Ice Sheet (WAIS) may have a major impact on future climate. For instance, ice sheet melt may contribute significantly to global sea level rise. Understanding the current state of WAIS is therefore of great interest. WAIS is drained by fast-flowing glaciers which are major contributors to ice loss. Hence, understanding the stability and dynamics of glaciers is critical for predicting the future of the ice sheet. Glacier dynamics are driven by the interplay between the topography, temperature and basal conditions beneath the ice. A glacier dynamics model describes the interactions between these processes. We develop a hierarchical Bayesian model that integrates multiple ice sheet surface data sets with a glacier dynamics model. Our approach allows us to (1) infer important parameters describing the glacier dynamics, (2) learn about ice sheet thickness, and (3) account for errors in the observations and the model. Because we have relatively dense and accurate ice thickness data from the Thwaites Glacier in West Antarctica, we use these data to validate the proposed approach. The long-term goal of this work is to have a general model that may be used to study multiple glaciers in the Antarctic.

An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications.

Science.gov (United States)

Du, Likai; Lan, Zhenggang

2015-04-14

Nonadiabatic dynamics simulations have rapidly become an indispensable tool for understanding ultrafast photochemical processes in complex systems. Here, we present our recently developed on-the-fly nonadiabatic dynamics package, JADE, which allows researchers to perform nonadiabatic excited-state dynamics simulations of polyatomic systems at an all-atomic level. The nonadiabatic dynamics is based on Tully's surface-hopping approach. Currently, several electronic structure methods (CIS, TDHF, TDDFT(RPA/TDA), and ADC(2)) are supported, especially TDDFT, aiming at performing nonadiabatic dynamics on medium- to large-sized molecules. The JADE package has been interfaced with several quantum chemistry codes, including Turbomole, Gaussian, and Gamess (US). To consider environmental effects, the Langevin dynamics was introduced as an easy-to-use scheme into the standard surface-hopping dynamics. The JADE package is mainly written in Fortran for greater numerical performance and Python for flexible interface construction, with the intent of providing open-source, easy-to-use, well-modularized, and intuitive software in the field of simulations of photochemical and photophysical processes. To illustrate the possible applications of the JADE package, we present a few applications of excited-state dynamics for various polyatomic systems, such as the methaniminium cation, fullerene (C20), p-dimethylaminobenzonitrile (DMABN) and its primary amino derivative aminobenzonitrile (ABN), and 10-hydroxybenzo[h]quinoline (10-HBQ).

Building energy performance analysis by an in-house developed dynamic simulation code: An investigation for different case studies

International Nuclear Information System (INIS)

Buonomano, Annamaria; Palombo, Adolfo

2014-01-01

Highlights: • A new dynamic simulation code for building energy performance analysis is presented. • The thermal behavior of each building element is modeled by a thermal RC network. • The physical models implemented in the code are illustrated. • The code was validated by the BESTEST standard procedure. • We investigate residential buildings, offices and stores in different climates. - Abstract: A novel dynamic simulation model for the building envelope energy performance analysis is presented in this paper. This tool helps the investigation of many new building technologies to increase the system energy efficiency and it can be carried out for scientific research purposes. In addition to the yearly heating and cooling load and energy demand, the obtained output is the dynamic temperature profile of indoor air and surfaces and the dynamic profile of the thermal fluxes through the building elements. The presented simulation model is also validated through the BESTEST standard procedure. Several new case studies are developed for assessing, through the presented code, the energy performance of three different building envelopes with several different weather conditions. In particular, dwelling and commercial buildings are analysed. Light and heavyweight envelopes as well as different glazed surfaces areas have been used for every case study. With the achieved results interesting design and operating guidelines can be obtained. Such data have been also compared vs. those calculated by TRNSYS and EnergyPlus. The detected deviation of the obtained results vs. those of such standard tools are almost always lower than 10%

Analyses of the soil surface dynamic of South African Kalahari salt pans based on hyperspectral and multitemporal data

Science.gov (United States)

Milewski, Robert; Chabrillat, Sabine; Behling, Robert; Mielke, Christian; Schleicher, Anja Maria; Guanter, Luis

2016-04-01

The consequences of climate change represent a major threat to sustainable development and growth in Southern Africa. Understanding the impact on the geo- and biosphere is therefore of great importance in this particular region. In this context the Kalahari salt pans (also known as playas or sabkhas) and their peripheral saline and alkaline habitats are an ecosystem of major interest. They are very sensitive to environmental conditions, and as thus hydrological, mineralogical and ecological responses to climatic variations can be analysed. Up to now the soil composition of salt pans in this area have been only assessed mono-temporally and on a coarse regional scale. Furthermore, the dynamic of the salt pans, especially the formation of evaporites, is still uncertain and poorly understood. High spectral resolution remote sensing can estimate evaporite content and mineralogy of soils based on the analyses of the surface reflectance properties within the Visible-Near InfraRed (VNIR 400-1000 nm) and Short-Wave InfraRed (SWIR 1000-2500 nm) regions. In these wavelength regions major chemical components of the soil interact with the electromagnetic radiation and produce characteristic absorption features that can be used to derive the properties of interest. Although such techniques are well established for the laboratory and field scale, the potential of current (Hyperion) and upcoming spaceborne sensors such as EnMAP for quantitative mineralogical and salt spectral mapping is still to be demonstrated. Combined with hyperspectral methods, multitemporal remote sensing techniques allow us to derive the recent dynamic of these salt pans and link the mineralogical analysis of the pan surface to major physical processes in these dryland environments. In this study we focus on the analyses of the Namibian Omongwa salt pans based on satellite hyperspectral imagery and multispectral time-series data. First, a change detection analysis is applied using the Iterative

Dynamic analysis of embedded structures

International Nuclear Information System (INIS)

Kausel, E.; Whitman, R.V.; Morray, J.P.

1977-01-01

The paper presents simplified rules to account for embeddment and soil layering in the soil-structure interaction problem, to be used in dynamic analysis. The relationship between the spring method, and a direct solution (in which both soil and structure are modeled with finite elements and linear members) is first presented. It is shown that for consistency of the results with the two solution methods the spring method should be performed in the following three steps: 1. Determination of the motion of the massless foundation (having the same shape as the actual one) when subjected to the same input motion as the direct solution. 2. Determination of the frequency dependent subgrade stiffness for the relevant degrees of freedom. 3. Computations of the response of the real structure supported on frequency dependent soil springs and subjected at the base of these springs to the motion computed in step 1. The first two steps require, in general, finite element methods, which would make the procedure not attractive. It is shown in the paper, however, that excellent approximations can be obtained, on the basis of 1-dimensional wave propagation theory for the solution of step 1, and correction factors modifying for embeddment the corresponding springs of a surface footing on a layered stratum, for the solution of step 2. (Auth.)

Desorption dynamics of deuterium molecules from the Si(100)-(3x1) dideuteride surface.

Science.gov (United States)

Niida, T; Tsurumaki, H; Namiki, A

2006-01-14

We measured polar angle (theta)-resolved time-of-flight spectra of D2 molecules desorbing from the Si(100)-(3x1) dideuteride surface. The desorbing D2 molecules exhibit a considerable translational heating with mean desorption kinetic energies of approximately 0.25 eV, which is mostly independent of the desorption angles for 0 degreesdynamics of deuterium was discussed along the principle of detailed balance to predict their adsorption dynamics onto the monohydride Si surface.

Assessment of the Performance of Three Dynamical Climate Downscaling Methods Using Different Land Surface Information over China

Directory of Open Access Journals (Sweden)

Peng Liu

2018-03-01

Full Text Available This study aims to assess the performance of different dynamical downscaling methods using updated land surface information. Particular attention is given to obtaining high-resolution climate information over China by the combination of an appropriate dynamical downscaling method and updated land surface information. Two group experiments using two land surface datasets are performed, including default Weather Research and Forecasting (WRF land surface data (OLD and accurate dynamically accordant MODIS data (NEW. Each group consists of three types of experiments for the summer of 2014, including traditional continuous integration (CT, spectral nudging (SN, and re-initialization (Re experiments. The Weather Research and Forecasting (WRF model is used to dynamically downscale ERA-Interim (reanalysis of the European Centre for Medium-Range Weather Forecast, ECMWF data with a grid spacing of 30 km over China. The simulations are evaluated via comparison with observed conventional meteorological variables, showing that the CT method, which notably overestimates 2 m temperature and underestimates 2 m relative humidity across China, performs the worst; the SN and Re runs outperform the CT method, and the Re shows the smallest RMSE (root means square error. A comparison of observed and simulated precipitation shows that the SN simulation is closest to the observed data, while the CT and Re simulations overestimate precipitation south of the Yangtze River. Compared with the OLD group, the RMSE values of temperature and relative humidity are significantly improved in CT and SN, and there is smaller improved in Re. However, obvious improvements in precipitation are not evident.

Surface Roughness Analysis in the Hard Milling of JIS SKD61 Alloy Steel

Directory of Open Access Journals (Sweden)

Huu-That Nguyen

2016-06-01

Full Text Available Hard machining is an efficient solution that can be used to replace the grinding operation in the mold and die manufacturing industry. In this study, an attempt is made to analyze the effect of process parameters on workpiece surface roughness (Ra in the hard milling of JIS (Japanese Industrial Standard SKD61 steel, based on a combination of the Taguchi method and response surface methodology (RSM. The cutting parameters are selected based on the structural dynamic analysis of the machine tool. A set of experiments is designed according to the Taguchi technique. The average Ra is measured by a Mitutoyo Surftest SJ-400, and then analysis of variance (ANOVA is performed to determine the influences of cutting parameters on the given Ra. Quadratic mathematical modeling is introduced for prediction of the Ra during the hard milling process. The predicted values are in reasonable agreement with the observation of experiments. In an effort to obtain the minimizing Ra, a single objective optimization is employed based on the desirability function. The result shows that the percentage error between measured and predicted values of Ra is 3.2%, which is found to be insignificant. Eventually, the milled surface roughness under the optimized machining conditions is 0.122 µm. This finding shows that grinding may be replaced by finish hard milling in the mold and die manufacturing field.

Enabling dynamic network analysis through visualization in TVNViewer

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Curtis Ross E

2012-08-01

Full Text Available Abstract Background Many biological processes are context-dependent or temporally specific. As a result, relationships between molecular constituents evolve across time and environments. While cutting-edge machine learning techniques can recover these networks, exploring and interpreting the rewiring behavior is challenging. Information visualization shines in this type of exploratory analysis, motivating the development ofTVNViewer (http://sailing.cs.cmu.edu/tvnviewer, a visualization tool for dynamic network analysis. Results In this paper, we demonstrate visualization techniques for dynamic network analysis by using TVNViewer to analyze yeast cell cycle and breast cancer progression datasets. Conclusions TVNViewer is a powerful new visualization tool for the analysis of biological networks that change across time or space.

Enabling dynamic network analysis through visualization in TVNViewer

Science.gov (United States)

2012-01-01

Background Many biological processes are context-dependent or temporally specific. As a result, relationships between molecular constituents evolve across time and environments. While cutting-edge machine learning techniques can recover these networks, exploring and interpreting the rewiring behavior is challenging. Information visualization shines in this type of exploratory analysis, motivating the development ofTVNViewer (http://sailing.cs.cmu.edu/tvnviewer), a visualization tool for dynamic network analysis. Results In this paper, we demonstrate visualization techniques for dynamic network analysis by using TVNViewer to analyze yeast cell cycle and breast cancer progression datasets. Conclusions TVNViewer is a powerful new visualization tool for the analysis of biological networks that change across time or space. PMID:22897913

Dynamic sensitivity analysis of long running landslide models through basis set expansion and meta-modelling

Science.gov (United States)

Rohmer, Jeremy

2016-04-01

Predicting the temporal evolution of landslides is typically supported by numerical modelling. Dynamic sensitivity analysis aims at assessing the influence of the landslide properties on the time-dependent predictions (e.g., time series of landslide displacements). Yet two major difficulties arise: 1. Global sensitivity analysis require running the landslide model a high number of times (> 1000), which may become impracticable when the landslide model has a high computation time cost (> several hours); 2. Landslide model outputs are not scalar, but function of time, i.e. they are n-dimensional vectors with n usually ranging from 100 to 1000. In this article, I explore the use of a basis set expansion, such as principal component analysis, to reduce the output dimensionality to a few components, each of them being interpreted as a dominant mode of variation in the overall structure of the temporal evolution. The computationally intensive calculation of the Sobol' indices for each of these components are then achieved through meta-modelling, i.e. by replacing the landslide model by a "costless-to-evaluate" approximation (e.g., a projection pursuit regression model). The methodology combining "basis set expansion - meta-model - Sobol' indices" is then applied to the La Frasse landslide to investigate the dynamic sensitivity analysis of the surface horizontal displacements to the slip surface properties during the pore pressure changes. I show how to extract information on the sensitivity of each main modes of temporal behaviour using a limited number (a few tens) of long running simulations. In particular, I identify the parameters, which trigger the occurrence of a turning point marking a shift between a regime of low values of landslide displacements and one of high values.

Statistical analysis of dynamic parameters of the core

International Nuclear Information System (INIS)

Ionov, V.S.

2007-01-01

The transients of various types were investigated for the cores of zero power critical facilities in RRC KI and NPP. Dynamic parameters of neutron transients were explored by tool statistical analysis. Its have sufficient duration, few channels for currents of chambers and reactivity and also some channels for technological parameters. On these values the inverse period. reactivity, lifetime of neutrons, reactivity coefficients and some effects of a reactivity are determinate, and on the values were restored values of measured dynamic parameters as result of the analysis. The mathematical means of statistical analysis were used: approximation(A), filtration (F), rejection (R), estimation of parameters of descriptive statistic (DSP), correlation performances (kk), regression analysis(KP), the prognosis (P), statistician criteria (SC). The calculation procedures were realized by computer language MATLAB. The reasons of methodical and statistical errors are submitted: inadequacy of model operation, precision neutron-physical parameters, features of registered processes, used mathematical model in reactivity meters, technique of processing for registered data etc. Examples of results of statistical analysis. Problems of validity of the methods used for definition and certification of values of statistical parameters and dynamic characteristics are considered (Authors)

Hot electron dynamics at semiconductor surfaces: Implications for quantum dot photovoltaics

Science.gov (United States)

Tisdale, William A., III

Finding a viable supply of clean, renewable energy is one of the most daunting challenges facing the world today. Solar cells have had limited impact in meeting this challenge because of their high cost and low power conversion efficiencies. Semiconductor nanocrystals, or quantum dots, are promising materials for use in novel solar cells because they can be processed with potentially inexpensive solution-based techniques and because they are predicted to have novel optoelectronic properties that could enable the realization of ultra-efficient solar power converters. However, there is a lack of fundamental understanding regarding the behavior of highly-excited, or "hot," charge carriers near quantum-dot and semiconductor interfaces, which is of paramount importance to the rational design of high-efficiency devices. The elucidation of these ultrafast hot electron dynamics is the central aim of this Dissertation. I present a theoretical framework for treating the electronic interactions between quantum dots and bulk semiconductor surfaces and propose a novel experimental technique, time-resolved surface second harmonic generation (TR-SHG), for probing these interactions. I then describe a series of experimental investigations into hot electron dynamics in specific quantum-dot/semiconductor systems. A two-photon photoelectron spectroscopy (2PPE) study of the technologically-relevant ZnO(1010) surface reveals ultrafast (sub-30fs) cooling of hot electrons in the bulk conduction band, which is due to strong electron-phonon coupling in this highly polar material. The presence of a continuum of defect states near the conduction band edge results in Fermi-level pinning and upward (n-type) band-bending at the (1010) surface and provides an alternate route for electronic relaxation. In monolayer films of colloidal PbSe quantum dots, chemical treatment with either hydrazine or 1,2-ethanedithiol results in strong and tunable electronic coupling between neighboring quantum dots

Linear and nonlinear dynamic analysis by boundary element method. Ph.D. Thesis, 1986 Final Report

Science.gov (United States)

Ahmad, Shahid

1991-01-01

An advanced implementation of the direct boundary element method (BEM) applicable to free-vibration, periodic (steady-state) vibration and linear and nonlinear transient dynamic problems involving two and three-dimensional isotropic solids of arbitrary shape is presented. Interior, exterior, and half-space problems can all be solved by the present formulation. For the free-vibration analysis, a new real variable BEM formulation is presented which solves the free-vibration problem in the form of algebraic equations (formed from the static kernels) and needs only surface discretization. In the area of time-domain transient analysis, the BEM is well suited because it gives an implicit formulation. Although the integral formulations are elegant, because of the complexity of the formulation it has never been implemented in exact form. In the present work, linear and nonlinear time domain transient analysis for three-dimensional solids has been implemented in a general and complete manner. The formulation and implementation of the nonlinear, transient, dynamic analysis presented here is the first ever in the field of boundary element analysis. Almost all the existing formulation of BEM in dynamics use the constant variation of the variables in space and time which is very unrealistic for engineering problems and, in some cases, it leads to unacceptably inaccurate results. In the present work, linear and quadratic isoparametric boundary elements are used for discretization of geometry and functional variations in space. In addition, higher order variations in time are used. These methods of analysis are applicable to piecewise-homogeneous materials, such that not only problems of the layered media and the soil-structure interaction can be analyzed but also a large problem can be solved by the usual sub-structuring technique. The analyses have been incorporated in a versatile, general-purpose computer program. Some numerical problems are solved and, through comparisons

Condensation and Wetting Dynamics on Micro/Nano-Structured Surfaces

Science.gov (United States)

Olceroglu, Emre

-condensable gases (NCGs), a novel characterization technique has been developed based on image tracking of droplet growth rates. The full-field dynamic characterization of superhydrophobic surfaces during condensation has been achieved using high-speed microscopy coupled with image-processing algorithms. This method is able to resolve heat fluxes as low as 20 W/m 2 and heat transfer coefficients of up to 1000 kW/m2, across an array of 1000's of microscale droplets simultaneously. Nanostructured surfaces with mixed wettability have been used to demonstrate delayed flooding during superhydrophobic condensation. These surfaces have been optimized and characterized using optical and electron microscopy, leading to the observation of self-organizing microscale droplets. The self-organization of small droplets effectively delays the onset of surface flooding, allowing the superhydrophobic surfaces to operate at higher supersaturations. Additionally, hierarchical surfaces have been fabricated and characterized showing enhanced droplet growth rates as compared to existing models. This enhancement has been shown to be derived from the presence of small feeder droplets nucleating within the microscale unit cells of the hierarchical surfaces. Based on the experimental observations, a mechanistic model for growth rates has been developed for superhydrophobic hierarchical surfaces. While superhydrophobic surfaces exhibit high heat transfer rates they are inherently unstable due to the necessity to maintain a non-wetted state in a condensing environment. As an alternative condensation surface, a novel design is introduced here using ambiphilic structures to promote the formation of a thin continuous liquid film across the surface which can still provide the benefits of superhydrophobic condensation. Preliminary results show that the ambiphilic structures restrain the film thickness, thus maintaining a low thermal resistance while simultaneously maximizing the liquid-vapor interface available for

Integrating atomistic molecular dynamics simulations, experiments and network analysis to study protein dynamics: strength in unity

Directory of Open Access Journals (Sweden)

Elena ePapaleo

2015-05-01

Full Text Available In the last years, we have been observing remarkable improvements in the field of protein dynamics. Indeed, we can now study protein dynamics in atomistic details over several timescales with a rich portfolio of experimental and computational techniques. On one side, this provides us with the possibility to validate simulation methods and physical models against a broad range of experimental observables. On the other side, it also allows a complementary and comprehensive view on protein structure and dynamics. What is needed now is a better understanding of the link between the dynamic properties that we observe and the functional properties of these important cellular machines. To make progresses in this direction, we need to improve the physical models used to describe proteins and solvent in molecular dynamics, as well as to strengthen the integration of experiments and simulations to overcome their own limitations. Moreover, now that we have the means to study protein dynamics in great details, we need new tools to understand the information embedded in the protein ensembles and in their dynamic signature. With this aim in mind, we should enrich the current tools for analysis of biomolecular simulations with attention to the effects that can be propagated over long distances and are often associated to important biological functions. In this context, approaches inspired by network analysis can make an important contribution to the analysis of molecular dynamics simulations.

Nonlinear dynamic response of cantilever beam tip during atomic force microscopy (AFM) nanolithography of copper surface

International Nuclear Information System (INIS)

Yeh, Y-L; Jang, M-J; Wang, C-C; Lin, Y-P; Chen, K-S

2008-01-01

This paper investigates the nonlinear dynamic response of an atomic force microscope (AFM) cantilever beam tip during the nanolithography of a copper (Cu) surface using a high-depth feed. The dynamic motion of the tip is modeled using a combined approach based on Newton's law and empirical observations. The cutting force is determined from experimental observations of the piling height on the Cu surface and the rotation angle of the cantilever beam tip. It is found that the piling height increases linearly with the cantilever beam carrier velocity. Furthermore, the cantilever beam tip is found to execute a saw tooth motion. Both this motion and the shear cutting force are nonlinear. The elastic modulus in the y direction is variable. Finally, the velocity of the cantilever beam tip as it traverses the specimen surface has a discrete characteristic rather than a smooth, continuous profile

Visibility graph analysis on heartbeat dynamics of meditation training

Science.gov (United States)

Jiang, Sen; Bian, Chunhua; Ning, Xinbao; Ma, Qianli D. Y.

2013-06-01

We apply the visibility graph analysis to human heartbeat dynamics by constructing the complex networks of heartbeat interval time series and investigating the statistical properties of the network before and during chi and yoga meditation. The experiment results show that visibility graph analysis can reveal the dynamical changes caused by meditation training manifested as regular heartbeat, which is closely related to the adjustment of autonomous neural system, and visibility graph analysis is effective to evaluate the effect of meditation.

Surface functionalization of dopamine coated iron oxide nanoparticles for various surface functionalities

Energy Technology Data Exchange (ETDEWEB)

Sherwood, Jennifer; Xu, Yaolin; Lovas, Kira [Chemical and Biological Engineering, The University of Alabama, Tuscaloosa , AL 35487 (United States); Qin, Ying [Alabama Innovation and Mentoring of Entrepreneurs, The University of Alabama, Tuscaloosa, AL 35487 (United States); Bao, Yuping, E-mail: ybao@eng.ua.edu [Chemical and Biological Engineering, The University of Alabama, Tuscaloosa , AL 35487 (United States)

2017-04-01

We present effective conjugation of four small molecules (glutathione, cysteine, lysine, and Tris(hydroxymethyl)aminomethane) onto dopamine-coated iron oxide nanoparticles. Conjugation of these molecules could improve the surface functionality of nanoparticles for more neutral surface charge at physiological pH and potentially reduce non-specific adsorption of proteins to nanoparticles surfaces. The success of conjugation was evaluated with dynamic light scattering by measuring the surface charge changes and Fourier transform infrared spectroscopy for surface chemistry analysis. The stability of dopamine-coated nanoparticles and the ability of conjugated nanoparticles to reduce the formation of protein corona were evaluated by measuring the size and charge of the nanoparticles in biological medium. This facile conjugation method opens up possibilities for attaching various surface functionalities onto iron oxide nanoparticle surfaces for biomedical applications.

Surface functionalization of dopamine coated iron oxide nanoparticles for various surface functionalities

International Nuclear Information System (INIS)

Sherwood, Jennifer; Xu, Yaolin; Lovas, Kira; Qin, Ying; Bao, Yuping

2017-01-01

We present effective conjugation of four small molecules (glutathione, cysteine, lysine, and Tris(hydroxymethyl)aminomethane) onto dopamine-coated iron oxide nanoparticles. Conjugation of these molecules could improve the surface functionality of nanoparticles for more neutral surface charge at physiological pH and potentially reduce non-specific adsorption of proteins to nanoparticles surfaces. The success of conjugation was evaluated with dynamic light scattering by measuring the surface charge changes and Fourier transform infrared spectroscopy for surface chemistry analysis. The stability of dopamine-coated nanoparticles and the ability of conjugated nanoparticles to reduce the formation of protein corona were evaluated by measuring the size and charge of the nanoparticles in biological medium. This facile conjugation method opens up possibilities for attaching various surface functionalities onto iron oxide nanoparticle surfaces for biomedical applications.

Nonlinear dynamic behaviors of an optically injected vertical-cavity surface-emitting laser

International Nuclear Information System (INIS)

Li Xiaofeng; Pan Wei; Luo Bin; Ma Dong; Wang Yong; Li Nuohan

2006-01-01

Nonlinear dynamics of a vertical-cavity surface-emitting laser (VCSEL) with external optical injection are studied numerically. We consider a master-slave configuration where the dynamic characteristics of the slave are affected by the optical injection from the master, and we also establish the corresponding Simulink model. The period-doubling route as well as the period-halving route is observed, where the regular, double-periodic, and chaotic pulsings are found. By adjusting the injection strength properly, the laser can be controlled to work at a given state. The effects of frequency detuning on the nonlinear behaviors are also investigated in terms of the bifurcation diagrams of photon density with the frequency detuning. For weak injection case, the nonlinear dynamics shown by the laser are quite different when the value of frequency detuning varies contrarily (positive and negative direction). If the optical injection is strong enough, the slave can be locked by the master even though the frequency detuning is relatively large

Information-theoretic analysis of the dynamics of an executable biological model.

Directory of Open Access Journals (Sweden)

Avital Sadot

Full Text Available To facilitate analysis and understanding of biological systems, large-scale data are often integrated into models using a variety of mathematical and computational approaches. Such models describe the dynamics of the biological system and can be used to study the changes in the state of the system over time. For many model classes, such as discrete or continuous dynamical systems, there exist appropriate frameworks and tools for analyzing system dynamics. However, the heterogeneous information that encodes and bridges molecular and cellular dynamics, inherent to fine-grained molecular simulation models, presents significant challenges to the study of system dynamics. In this paper, we present an algorithmic information theory based approach for the analysis and interpretation of the dynamics of such executable models of biological systems. We apply a normalized compression distance (NCD analysis to the state representations of a model that simulates the immune decision making and immune cell behavior. We show that this analysis successfully captures the essential information in the dynamics of the system, which results from a variety of events including proliferation, differentiation, or perturbations such as gene knock-outs. We demonstrate that this approach can be used for the analysis of executable models, regardless of the modeling framework, and for making experimentally quantifiable predictions.

Atmospheric pressure plasma jets : properties of plasma bullets and the dynamics of the interaction with dielectric surfaces

NARCIS (Netherlands)

Sobota, A.; Slikboer, E.; Guaitella, O.Y.N.

2015-01-01

Cold atmospheric pressure plasma jets, although mostly researched for applications in surface treatment, are rarely investigated in the presence of a surface. This paper presents the properties of plasma bullets formed in the capillary as well as the dynamics of the propagation of the plasma on

Dynamical interaction of He atoms with metal surfaces: Charge transfer processes

International Nuclear Information System (INIS)

Flores, F.; Garcia Vidal, F.J.; Monreal, R.

1993-01-01

A self-consistent Kohn-Sham LCAO method is presented to calculate the charge transfer processes between a He * -atom and metal surfaces. Intra-atomic correlation effects are taken into account by considering independently each single He-orbital and by combining the different charge transfer processes into a set of dynamical rate equations for the different ion charge fractions. Our discussion reproduces qualitatively the experimental evidence and gives strong support to the method presented here. (author). 24 refs, 4 figs

Surface studies with high-energy ion beams

Energy Technology Data Exchange (ETDEWEB)

Stensgaard, Ivan [Aarhus Univ. (Denmark). Inst. of Physics

1992-07-01