WorldWideScience

Sample records for critical surface dynamics

  1. Critical bifurcation surfaces of 3D discrete dynamics

    Directory of Open Access Journals (Sweden)

    Michael Sonis

    2000-01-01

    Full Text Available This paper deals with the analytical representation of bifurcations of each 3D discrete dynamics depending on the set of bifurcation parameters. The procedure of bifurcation analysis proposed in this paper represents the 3D elaboration and specification of the general algorithm of the n-dimensional linear bifurcation analysis proposed by the author earlier. It is proven that 3D domain of asymptotic stability (attraction of the fixed point for a given 3D discrete dynamics is bounded by three critical bifurcation surfaces: the divergence, flip and flutter surfaces. The analytical construction of these surfaces is achieved with the help of classical Routh–Hurvitz conditions of asymptotic stability. As an application the adjustment process proposed by T. Puu for the Cournot oligopoly model is considered in detail.

  2. Critical dynamics

    International Nuclear Information System (INIS)

    Dekker, H.

    1980-01-01

    It is shown how to solve the master equation for a Markov process including a critical point by means of successive approximations in terms of a small parameter. A critical point occurs if, by adjusting an externally controlled quantity, the system shows a transition from normal monostable to bistable behaviour. The fundamental idea of the theory is to separate the master equation into its proper irreducible part and a corrective remainder. The irreducible or zeroth order stochastic approximation will be a relatively simple Fokker-Planck equation that contains the essential features of the process. Once the solution of this irreducible equation is known, the higher order corrections in the original master equation can be incorporated in a systematic manner. (Auth.)

  3. Critical insight into the influence of the potential energy surface on fission dynamics

    International Nuclear Information System (INIS)

    Mazurek, K.; Schmitt, C.; Wieleczko, J. P.; Ademard, G.; Nadtochy, P. N.

    2011-01-01

    The present work is dedicated to a careful investigation of the influence of the potential energy surface on the fission process. The time evolution of nuclei at high excitation energy and angular momentum is studied by means of three-dimensional Langevin calculations performed for two different parametrizations of the macroscopic potential: the Finite Range Liquid Drop Model (FRLDM) and the Lublin-Strasbourg Drop (LSD) prescription. Depending on the mass of the system, the topology of the potential throughout the deformation space of interest in fission is observed to noticeably differ within these two approaches, due to the treatment of curvature effects. When utilized in the dynamical calculation as the driving potential, the FRLDM and LSD models yield similar results in the heavy-mass region, whereas the predictions can be strongly dependent on the Potential Energy Surface (PES) for medium-mass nuclei. In particular, the mass, charge, and total kinetic energy distributions of the fission fragments are found to be narrower with the LSD prescription. The influence of critical model parameters on our findings is carefully investigated. The present study sheds light on the experimental conditions and signatures well suited for constraining the parametrization of the macroscopic potential. Its implication regarding the interpretation of available experimental data is briefly discussed.

  4. Optical Feather and Foil for Shape and Dynamic Load Sensing of Critical Flight Surfaces, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Future flight vehicles may comprise complex flight surfaces requiring coordinated in-situ sensing and actuation. Inspired by the complexity of the flight surfaces on...

  5. Critical Zone Co-dynamics: Quantifying Interactions between Subsurface, Land Surface, and Vegetation Properties Using UAV and Geophysical Approaches

    Science.gov (United States)

    Dafflon, B.; Leger, E.; Peterson, J.; Falco, N.; Wainwright, H. M.; Wu, Y.; Tran, A. P.; Brodie, E.; Williams, K. H.; Versteeg, R.; Hubbard, S. S.

    2017-12-01

    Improving understanding and modelling of terrestrial systems requires advances in measuring and quantifying interactions among subsurface, land surface and vegetation processes over relevant spatiotemporal scales. Such advances are important to quantify natural and managed ecosystem behaviors, as well as to predict how watershed systems respond to increasingly frequent hydrological perturbations, such as droughts, floods and early snowmelt. Our study focuses on the joint use of UAV-based multi-spectral aerial imaging, ground-based geophysical tomographic monitoring (incl., electrical and electromagnetic imaging) and point-scale sensing (soil moisture sensors and soil sampling) to quantify interactions between above and below ground compartments of the East River Watershed in the Upper Colorado River Basin. We evaluate linkages between physical properties (incl. soil composition, soil electrical conductivity, soil water content), metrics extracted from digital surface and terrain elevation models (incl., slope, wetness index) and vegetation properties (incl., greenness, plant type) in a 500 x 500 m hillslope-floodplain subsystem of the watershed. Data integration and analysis is supported by numerical approaches that simulate the control of soil and geomorphic characteristic on hydrological processes. Results provide an unprecedented window into critical zone interactions, revealing significant below- and above-ground co-dynamics. Baseline geophysical datasets provide lithological structure along the hillslope, which includes a surface soil horizon, underlain by a saprolite layer and the fractured Mancos shale. Time-lapse geophysical data show very different moisture dynamics in various compartments and locations during the winter and growing season. Integration with aerial imaging reveals a significant linkage between plant growth and the subsurface wetness, soil characteristics and the topographic gradient. The obtained information about the organization and

  6. Critical behavior of collapsing surfaces

    DEFF Research Database (Denmark)

    Olsen, Kasper; Sourdis, C.

    2009-01-01

    We consider the mean curvature evolution of rotationally symmetric surfaces. Using numerical methods, we detect critical behavior at the threshold of singularity formation resembling that of gravitational collapse. In particular, the mean curvature simulation of a one-parameter family of initial...... data reveals the existence of a critical initial surface that develops a degenerate neckpinch. The limiting flow of the type II singularity is accurately modeled by the rotationally symmetric translating soliton....

  7. Dynamic critical behaviour and scaling

    International Nuclear Information System (INIS)

    Oezoguz, B.E.

    2001-01-01

    Traditionally the scaling is the property of dynamical systems at thermal equilibrium. In second order phase transitions scaling behaviour is due to the infinite correlation length around the critical point. In first order phase transitions however, the correlation length remains finite and a different type of scaling can be observed. For first order phase transitions all singularities are governed by the volume of the system. Recently, a different type of scaling, namely dynamic scaling has attracted attention in second order phase transitions. In dynamic scaling, when a system prepared at high temperature is quenched to the critical temperature, it exhibits scaling behaviour. Dynamic scaling has been applied to various spin systems and the validity of the arguments are shown. Firstly, in this thesis project the dynamic scaling is applied to 4-dimensional using spin system which exhibits second order phase transition with mean-field critical indices. Secondly, it is shown that although the dynamic is quite different, first order phase transitions also has a different type of dynamic scaling

  8. Critical phenomena at perfect and non-perfect surfaces

    International Nuclear Information System (INIS)

    Pleimling, M

    2004-01-01

    In the past, perfect surfaces have been shown to yield local critical behaviour that differs from bulk critical behaviour. On the other hand, surface defects, whether they are of natural origin or created artificially, are known to modify local quantities. It is therefore important to clarify whether these defects are relevant or irrelevant for the surface critical behaviour. The purpose of this review is two-fold. In the first part we summarize some of the important results on surface criticality at perfect surfaces. Special attention is thereby paid to new developments such as for example the study of the surface critical behaviour in systems with competing interactions or of surface critical dynamics. In the second part the effect of surface defects (presence of edges, steps, quenched randomness, lines of adatoms, regular geometric patterns) on local critical behaviour in semi-infinite systems and in thin films is discussed in detail. Whereas most of the defects commonly encountered are shown to be irrelevant, some notable exceptions are highlighted. It is shown furthermore that under certain circumstances non-universal local critical behaviour may be observed at surfaces. (topical review)

  9. Critical dynamics in associative memory networks

    Directory of Open Access Journals (Sweden)

    Maximilian eUhlig

    2013-07-01

    Full Text Available Critical behavior in neural networks is characterized by scale-free avalanche size distributions and can be explained by self-regulatory mechanisms. Theoretical and experimental evidence indicates that information storage capacity reaches its maximum in the critical regime. We study the effect of structural connectivity formed by Hebbian learning on the criticality of network dynamics. The network endowed with Hebbian learning only does not allow for simultaneous information storage and criticality. However, the critical regime is can be stabilized by short-term synaptic dynamics in the form of synaptic depression and facilitation or, alternatively, by homeostatic adaptation of the synaptic weights. We show that a heterogeneous distribution of maximal synaptic strengths does not preclude criticality if the Hebbian learning is alternated with periods of critical dynamics recovery. We discuss the relevance of these findings for the flexibility of memory in aging and with respect to the recent theory of synaptic plasticity.

  10. 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

  11. Dynamical speckles in watery surfaces

    International Nuclear Information System (INIS)

    Llovera-Gonzalez, J.J.; Moreno-Yeras, A.; Garcia-Diaz, M.; Alvarez-Salgado, Y.

    2009-01-01

    Recovery of watery surfaces with monolayer of surfactant substances is of interest in diverse technological applications. The format ion and study of molecular monolayer deposited in these surfaces require the application of measurements techniques that allow evaluating the recovery grade locally without modifying practically the studied surface. In this paper the preliminary results obtained by the authors it plows exposed applying the technique of dynamic speckle interferometry in watery surfaces and their consideration like to possible resource to measure the grade of local recovery of these surfaces on the it bases that the speckles pattern dog reveal the dynamics of evaporation that takes place in the same ones. (Author)

  12. Dynamical triangulated fermionic surfaces

    International Nuclear Information System (INIS)

    Ambjoern, J.; Varsted, S.

    1990-12-01

    We perform Monte Carlo simulations of randomly triangulated random surfaces which have fermionic world-sheet scalars θ i associated with each vertex i in addition to the usual bosonic world-sheet scalar χ i μ . The fermionic degrees of freedom force the internal metrics of the string to be less singular than the internal metric of the pure bosonic string. (orig.)

  13. 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.

  14. Dynamic trapping near a quantum critical point

    Science.gov (United States)

    Kolodrubetz, Michael; Katz, Emanuel; Polkovnikov, Anatoli

    2015-02-01

    The study of dynamics in closed quantum systems has been revitalized by the emergence of experimental systems that are well-isolated from their environment. In this paper, we consider the closed-system dynamics of an archetypal model: spins driven across a second-order quantum critical point, which are traditionally described by the Kibble-Zurek mechanism. Imbuing the driving field with Newtonian dynamics, we find that the full closed system exhibits a robust new phenomenon—dynamic critical trapping—in which the system is self-trapped near the critical point due to efficient absorption of field kinetic energy by heating the quantum spins. We quantify limits in which this phenomenon can be observed and generalize these results by developing a Kibble-Zurek scaling theory that incorporates the dynamic field. Our findings can potentially be interesting in the context of early universe physics, where the role of the driving field is played by the inflaton or a modulus field.

  15. Summations over equilaterally triangulated surfaces and the critical string measure

    International Nuclear Information System (INIS)

    Smit, D.J.; Lawrence Berkeley Lab., CA

    1992-01-01

    We propose a new approach to the summation over dynamically triangulated Riemann surfaces which does not rely on properties of the potential in a matrix model. Instead, we formulate a purely algebraic discretization of critical string path integral. This is combined with a technique which assigns to each equilateral triangulation of a two-dimensional surface a Riemann surface defined over a certain finite extension of the field of rational numbers, i.e. an arithmetic surface. Thus we establish a new formulated in which the sum over randomly triangulated surfaces defines an invariant measure on the moduli space of arithmetic surfaces. It is shown that because of this it is far from obvious that this measure for large genera approximates the measure defined by the continuum theory, i.e. Liouville theory or critical string theory. In low genus this subtlety does not exist. In the case of critical string theory we explicitly compute the volume of the moduli space of arithmetic surfaces in terms of the modular height function and show that for low genus it approximates correctly the continuum measure. We also discuss a continuum limit which bears some resemblance with a double scaling limit in matrix models. (orig.)

  16. Critical dynamics in population vaccinating behavior.

    Science.gov (United States)

    Pananos, A Demetri; Bury, Thomas M; Wang, Clara; Schonfeld, Justin; Mohanty, Sharada P; Nyhan, Brendan; Salathé, Marcel; Bauch, Chris T

    2017-12-26

    Vaccine refusal can lead to renewed outbreaks of previously eliminated diseases and even delay global eradication. Vaccinating decisions exemplify a complex, coupled system where vaccinating behavior and disease dynamics influence one another. Such systems often exhibit critical phenomena-special dynamics close to a tipping point leading to a new dynamical regime. For instance, critical slowing down (declining rate of recovery from small perturbations) may emerge as a tipping point is approached. Here, we collected and geocoded tweets about measles-mumps-rubella vaccine and classified their sentiment using machine-learning algorithms. We also extracted data on measles-related Google searches. We find critical slowing down in the data at the level of California and the United States in the years before and after the 2014-2015 Disneyland, California measles outbreak. Critical slowing down starts growing appreciably several years before the Disneyland outbreak as vaccine uptake declines and the population approaches the tipping point. However, due to the adaptive nature of coupled behavior-disease systems, the population responds to the outbreak by moving away from the tipping point, causing "critical speeding up" whereby resilience to perturbations increases. A mathematical model of measles transmission and vaccine sentiment predicts the same qualitative patterns in the neighborhood of a tipping point to greatly reduced vaccine uptake and large epidemics. These results support the hypothesis that population vaccinating behavior near the disease elimination threshold is a critical phenomenon. Developing new analytical tools to detect these patterns in digital social data might help us identify populations at heightened risk of widespread vaccine refusal. Copyright © 2017 the Author(s). Published by PNAS.

  17. 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

  18. Avoided critical behavior in dynamically forced wetting.

    Science.gov (United States)

    Snoeijer, Jacco H; Delon, Giles; Fermigier, Marc; Andreotti, Bruno

    2006-05-05

    A solid object can be coated by a nonwetting liquid since a receding contact line cannot exceed a critical speed. In this Letter we study the dynamical wetting transition at which a liquid film gets deposited by withdrawing a vertical plate out of a liquid reservoir. It has recently been predicted that this wetting transition is critical with diverging time scales and coincides with the disappearance of stationary menisci. We demonstrate experimentally and theoretically that the transition is due to the formation of a solitary wave, well below the critical point. As a consequence, relaxation times remain finite at threshold. The structure of the liquid deposited on the plate involves a capillary ridge that does not trivially match the Landau-Levich film.

  19. Quench dynamics across quantum critical points

    International Nuclear Information System (INIS)

    Sengupta, K.; Powell, Stephen; Sachdev, Subir

    2004-01-01

    We study the quantum dynamics of a number of model systems as their coupling constants are changed rapidly across a quantum critical point. The primary motivation is provided by the recent experiments of Greiner et al. [Nature (London) 415, 39 (2002)] who studied the response of a Mott insulator of ultracold atoms in an optical lattice to a strong potential gradient. In a previous work, it had been argued that the resonant response observed at a critical potential gradient could be understood by proximity to an Ising quantum critical point describing the onset of density wave order. Here we obtain numerical results on the evolution of the density wave order as the potential gradient is scanned across the quantum critical point. This is supplemented by studies of the integrable quantum Ising spin chain in a transverse field, where we obtain exact results for the evolution of the Ising order correlations under a time-dependent transverse field. We also study the evolution of transverse superfluid order in the three-dimensional case. In all cases, the order parameter is best enhanced in the vicinity of the quantum critical point

  20. Dynamical Response near Quantum Critical Points.

    Science.gov (United States)

    Lucas, Andrew; Gazit, Snir; Podolsky, Daniel; Witczak-Krempa, William

    2017-02-03

    We study high-frequency response functions, notably the optical conductivity, in the vicinity of quantum critical points (QCPs) by allowing for both detuning from the critical coupling and finite temperature. We consider general dimensions and dynamical exponents. This leads to a unified understanding of sum rules. In systems with emergent Lorentz invariance, powerful methods from quantum field theory allow us to fix the high-frequency response in terms of universal coefficients. We test our predictions analytically in the large-N O(N) model and using the gauge-gravity duality and numerically via quantum Monte Carlo simulations on a lattice model hosting the interacting superfluid-insulator QCP. In superfluid phases, interacting Goldstone bosons qualitatively change the high-frequency optical conductivity and the corresponding sum rule.

  1. 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

  2. Static and Dynamic Criticality: Are They Different?

    International Nuclear Information System (INIS)

    Cullen, D E; Clouse, C J; Procassini, R; Little, R C

    2003-01-01

    Let us start by stating that this paper does not contain anything new. It only contains material that has been known for decades, but which is periodically forgotten. As such this paper is intended merely to refresh people's memories. We will also mention that this paper is an example of the occasional discrepancy between textbook methodologies and real world applications, in the sense that the conclusions reached here contradict what it says in most textbooks, i.e., most textbooks incorrectly interpret the methods presented here, particularly with respect to the use of importance sampling to maintain population control. This paper is not intended as a general tutorial on criticality calculations. It is intended only to clarify the accuracy of various methods for solving criticality problems, such as a true time dependent dynamic calculation, versus an alpha or K static calculation. In particular, we address the long standing controversy between users of the TART code [1] with the dynamic method, and users of the MCNP code [2] with the alpha static method. In this paper we will prove which methods are accurate and inaccurate

  3. 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

  4. Well-defined critical association concentration and rapid adsorption at the air/water interface of a short amphiphilic polymer, amphipol A8-35: a study by Förster resonance energy transfer and dynamic surface tension measurements.

    Science.gov (United States)

    Giusti, Fabrice; Popot, Jean-Luc; Tribet, Christophe

    2012-07-17

    Amphipols (APols) are short amphiphilic polymers designed to handle membrane proteins (MPs) in aqueous solutions as an alternative to small surfactants (detergents). APols adsorb onto the transmembrane, hydrophobic surface of MPs, forming small, water-soluble complexes, in which the protein is biochemically stabilized. At variance with MP/detergent complexes, MP/APol ones remain stable even at extreme dilutions. Pure APol solutions self-associate into well-defined micelle-like globules comprising a few APol molecules, a rather unusual behavior for amphiphilic polymers, which typically form ill-defined assemblies. The best characterized APol to date, A8-35, is a random copolymer of acrylic acid, isopropylacrylamide, and octylacrylamide. In the present work, the concentration threshold for self-association of A8-35 in salty buffer (NaCl 100 mM, Tris/HCl 20 mM, pH 8.0) has been studied by Förster resonance energy transfer (FRET) measurements and tensiometry. In a 1:1 mol/mol mixture of APols grafted with either rhodamine or 7-nitro-1,2,3-benzoxadiazole, the FRET signal as a function of A8-35 concentration is essentially zero below a threshold concentration of 0.002 g·L(-1) and increases linearly with concentration above this threshold. This indicates that assembly takes place in a narrow concentration interval around 0.002 g·L(-1). Surface tension measurements decreases regularly with concentration until a threshold of ca. 0.004 g·L(-1), beyond which it reaches a plateau at ca. 30 mN·m(-1). Within experimental uncertainties, the two techniques thus yield a comparable estimate of the critical self-assembly concentration. The kinetics of variation of the surface tension was analyzed by dynamic surface tension measurements in the time window 10 ms-100 s. The rate of surface tension decrease was similar in solutions of A8-35 and of the anionic surfactant sodium dodecylsulfate when both compounds were at a similar molar concentration of n-alkyl moieties. Overall, the

  5. Dynamical critical phenomena in driven-dissipative systems.

    Science.gov (United States)

    Sieberer, L M; Huber, S D; Altman, E; Diehl, S

    2013-05-10

    We explore the nature of the Bose condensation transition in driven open quantum systems, such as exciton-polariton condensates. Using a functional renormalization group approach formulated in the Keldysh framework, we characterize the dynamical critical behavior that governs decoherence and an effective thermalization of the low frequency dynamics. We identify a critical exponent special to the driven system, showing that it defines a new dynamical universality class. Hence critical points in driven systems lie beyond the standard classification of equilibrium dynamical phase transitions. We show how the new critical exponent can be probed in experiments with driven cold atomic systems and exciton-polariton condensates.

  6. Engineering Surface Critical Behavior of (2 +1 )-Dimensional O(3) Quantum Critical Points

    Science.gov (United States)

    Ding, Chengxiang; Zhang, Long; Guo, Wenan

    2018-06-01

    Surface critical behavior (SCB) refers to the singularities of physical quantities on the surface at the bulk phase transition. It is closely related to and even richer than the bulk critical behavior. In this work, we show that three types of SCB universality are realized in the dimerized Heisenberg models at the (2 +1 )-dimensional O(3) quantum critical points by engineering the surface configurations. The ordinary transition happens if the surface is gapped in the bulk disordered phase, while the gapless surface state generally leads to the multicritical special transition, even though the latter is precluded in classical phase transitions because the surface is in the lower critical dimension. An extraordinary transition is induced by the ferrimagnetic order on the surface of the staggered Heisenberg model, in which the surface critical exponents violate the results of the scaling theory and thus seriously challenge our current understanding of extraordinary transitions.

  7. Critical Thresholds in Earth-System Dynamics

    Science.gov (United States)

    Rothman, D.

    2017-12-01

    The history of the Earth system is a story of change. Some changesare gradual and benign, but others, especially those associated withcatastrophic mass extinction, are relatively abrupt and destructive.What sets one group apart from the other? Here I hypothesize thatperturbations of Earth's carbon cycle lead to mass extinction if theyexceed either a critical rate at long time scales or a critical sizeat short time scales. By analyzing 31 carbon-isotopic events duringthe last 542 million years, I identify the critical rate with a limitimposed by mass conservation. Further analysis identifies thecrossover timescale separating fast from slow events with thetimescale of the ocean's homeostatic response to a change in pH. Theproduct of the critical rate and the crossover timescale then yieldsthe critical size. The modern critical size for the marine carboncycle is roughly similar to the mass of carbon that human activitieswill likely have added to the oceans by the year 2100.

  8. Dynamical analysis of critical assembly CC-1

    International Nuclear Information System (INIS)

    Aleman Fernandez, J.R.

    1990-01-01

    The computer code CC-1, elaborated for the analysis of transients in Critical Assemblies is described. The results by the program are compared with the ones presented in the Safety Report for the Critical Assembly of ''La Quebrada'' Nuclear Research Centre (CIN). 7 refs

  9. Photochemical dynamics of surface oriented molecules

    International Nuclear Information System (INIS)

    Ho, W.

    1992-01-01

    The period 8/01/91-7/31/92 is the first year of a new project titled ''Photochemical Dynamics of Surface Oriented Molecules'', initiated with DOE Support. The main objective of this project is to understand the dynamics of elementary chemical reactions by studying photochemical dynamics of surface-oriented molecules. In addition, the mechanisms of photon-surface interactions need to be elucidated. The strategy is to carry out experiments to measure the translational energy distribution, as a function of the angle from the surface normal, of the photoproducts by time-of-flight (TOF) technique by varying the photon wavelength, intensity, polarization, and pulse duration. By choosing adsorbates with different bonding configuration, the effects of adsorbate orientation on surface photochemical dynamics can be studied

  10. Dynamics of quantum discord in a quantum critical environment

    International Nuclear Information System (INIS)

    Xi Zhengjun; Li Yongming; Lu Xiaoming; Sun Zhe

    2011-01-01

    We study the dynamics of quantum discord (QD) of two qubits independently coupled to an Ising spin chain in a transverse field, which exhibits a quantum phase transition. For this model, we drive the corresponding Kraus operators, obtain the analytic results of QD and compare the dynamics of QD with the dynamics of relative entropy of entanglement nearby the critical point. It is shown that the impact of the quantum criticality environment on QD can be concentrated in a very narrow region nearby the critical point, so it supplies an efficient way to detect the critical points. In the vicinity of the critical point, the evolution of QD is shown to be more complicated than that of entanglement. Furthermore, we find that separable states can also be used to reflect the quantum criticality of the environment.

  11. 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.

  12. Ab initio lattice dynamics of metal surfaces

    International Nuclear Information System (INIS)

    Heid, R.; Bohnen, K.-P.

    2003-01-01

    Dynamical properties of atoms on surfaces depend sensitively on their bonding environment and thus provide valuable insight into the local geometry and chemical binding at the boundary of a solid. Density-functional theory provides a unified approach to the calculation of structural and dynamical properties from first principles. Its high accuracy and predictive power for lattice dynamical properties of semiconductor surfaces has been demonstrated in a previous article by Fritsch and Schroeder (Phys. Rep. 309 (1999) 209). In this report, we review the state-of-the-art of these ab initio approaches to surface dynamical properties of metal surfaces. We give a brief introduction to the conceptual framework with focus on recent advances in computational procedures for the ab initio linear-response approach, which have been a prerequisite for an efficient treatment of surface dynamics of noble and transition metals. The discussed applications to clean and adsorbate-covered surfaces demonstrate the high accuracy and reliability of this approach in predicting detailed microscopic properties of the phonon dynamics for a wide range of metallic surfaces

  13. Causal Dynamics of Discrete Surfaces

    Directory of Open Access Journals (Sweden)

    Pablo Arrighi

    2014-03-01

    Full Text Available We formalize the intuitive idea of a labelled discrete surface which evolves in time, subject to two natural constraints: the evolution does not propagate information too fast; and it acts everywhere the same.

  14. Characterizing heterogeneous dynamics at hydrated electrode surfaces

    Science.gov (United States)

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

    2013-05-01

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

  15. Characterizing heterogeneous dynamics at hydrated electrode surfaces.

    Science.gov (United States)

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

    2013-05-14

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

  16. Dynamic Hazards In Critical Infrastructure Of State

    Directory of Open Access Journals (Sweden)

    Ostrowska Teresa

    2015-06-01

    Full Text Available The authors are interested in some aspects of a development project entitled “The methodology of risk assessment for the purposes of crisis management system RP (ID 193751”. The project funded by the National Research and Development Centre under the Competition 3/2012 (security and defense. As part of the project the following items were reviewed and analyzed: materials related to the Government Security Centre, already completed and available products of the project ID 193751, and literature relating to, among other things, crisis management, critical infrastructure, business continuity, security, and threats. The basic emphasis of the article is focused on the resource-critical infrastructure interpretation of the state, whereby the state is perceived as a complex administrative structure in which, on the basis of external and internal interactions of resources, the risk of threats measurement is done.

  17. Hybridized Kibble-Zurek scaling in the driven critical dynamics across an overlapping critical region

    Science.gov (United States)

    Zhai, Liang-Jun; Wang, Huai-Yu; Yin, Shuai

    2018-04-01

    The conventional Kibble-Zurek scaling describes the scaling behavior in the driven dynamics across a single critical region. In this paper, we study the driven dynamics across an overlapping critical region, in which a critical region (Region A) is overlaid by another critical region (Region B). We develop a hybridized Kibble-Zurek scaling (HKZS) to characterize the scaling behavior in the driven process. According to the HKZS, the driven dynamics in the overlapping region can be described by the critical theories for both Region A and Region B simultaneously. This results in a constraint on the scaling function in the overlapping critical region. We take the quantum Ising chain in an imaginary longitudinal field as an example. In this model, the critical region of the Yang-Lee edge singularity and the critical region of the ferromagnetic-paramagnetic phase transition overlap with each other. We numerically confirm the HKZS by simulating the driven dynamics in this overlapping critical region. The HKZSs in other models are also discussed.

  18. 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...

  19. Critical reflection activation analysis - a new near-surface probe

    International Nuclear Information System (INIS)

    Gunn, J.M.F.; Trohidou, K.N.

    1988-09-01

    We propose a new surface analytic technique, Critical Reflection Activation Analysis (CRAA). This technique allows accurate depth profiling of impurities ≤ 100A beneath a surface. The depth profile of the impurity is simply related to the induced activity as a function of the angle of reflection. We argue that the technique is practical and estimate its accuracy. (author)

  20. Effects of surface modification on the critical behaviour in multiple-surface-layer ferroelectric thin films

    International Nuclear Information System (INIS)

    Lu, Z X

    2013-01-01

    Using the usual mean-field theory approximation, the critical behaviour (i.e. the Curie temperature T c and the critical surface transverse field Ω sc ) in a multiple-surface-layer ferroelectric thin film is studied on the basis of the spin- 1/2 transverse Ising model. The dependence of the Curie temperature T c on the surface transverse field Ω s and the surface layer number N s are discussed in detail. Meanwhile the dependence of the critical surface transverse field Ω sc on the surface layer number N s is also examined. The numerical results indicate that the critical behaviour of ferroelectric thin films is obviously affected by modifications of the surface transverse field Ω s and surface layer number N s .

  1. Slow dynamics at critical points: the field-theoretical perspective

    International Nuclear Information System (INIS)

    Gambassi, Andrea

    2006-01-01

    The dynamics at a critical point provides a simple instance of slow collective evolution, characterised by aging phenomena and by a violation of the fluctuation-dissipation relation even for long times. By virtue of the universality in critical phenomena it is possible to provide quantitative predictions for some aspects of these behaviours by field-theoretical methods. We review some of the theoretical results that have been obtained in recent years for the relevant (universal) quantities, such as the fluctuation-dissipation ratio, associated with the non-equilibrium critical dynamics

  2. Critical quench dynamics in confined systems.

    Science.gov (United States)

    Collura, Mario; Karevski, Dragi

    2010-05-21

    We analyze the coherent quantum evolution of a many-particle system after slowly sweeping a power-law confining potential. The amplitude of the confining potential is varied in time along a power-law ramp such that the many-particle system finally reaches or crosses a critical point. Under this protocol we derive general scaling laws for the density of excitations created during the nonadiabatic sweep of the confining potential. It is found that the mean excitation density follows an algebraic law as a function of the sweeping rate with an exponent that depends on the space-time properties of the potential. We confirm our scaling laws by first order adiabatic calculation and exact results on the Ising quantum chain with a varying transverse field.

  3. Self-regulated dynamical criticality in human ECoG

    Directory of Open Access Journals (Sweden)

    Guillermo eSolovey

    2012-07-01

    Full Text Available Mounting experimental and theoretical results indicate that neural systems are poised near a critical state. In human subjects, however, most evidence comes from functional MRI studies, an indirect measurement of neuronal activity with poor temporal resolution. Electrocorticography (ECoG provides a unique window into human brain activity: each electrode records, with high temporal resolution, the activity resulting from the sum of the local field potentials of sim 10^5 neurons. We show that the human brain ECoG recordings display features of self-regulated dynamical criticality: dynamical modes of activation drift around the critical stability threshold, moving in and out of the unstable region and equilibrating the global dynamical state at a very fast time scale. Moreover, the analysis also reveals differences between the resting state and a motor task, associated with increased stability of a fraction of the dynamical modes.

  4. On the concept of critical surface excess of micellization.

    Science.gov (United States)

    Talens-Alesson, Federico I

    2010-11-16

    The critical surface excess of micellization (CSEM) should be regarded as the critical condition for micellization of ionic surfactants instead of the critical micelle concentration (CMC). There is a correspondence between the surface excesses Γ of anionic, cationic, and zwitterionic surfactants at their CMCs, which would be the CSEM values, and the critical association distance for ionic pair association calculated using Bjerrum's correlation. Further support to this concept is given by an accurate method for the prediction of the relative binding of alkali cations onto dodecylsulfate (NaDS) micelles. This method uses a relative binding strength parameter calculated from the values of surface excess Γ at the CMC of the alkali dodecylsulfates. This links both the binding of a given cation onto micelles and the onset for micellization of its surfactant salt. The CSEM concept implies that micelles form at the air-water interface unless another surface with greater affinity for micelles exists. The process would start when surfactant monomers are close enough to each other for ionic pairing with counterions and the subsequent assembly of these pairs becomes unavoidable. This would explain why the surface excess Γ values of different surfactants are more similar than their CMCs: the latter are just the bulk phase concentrations in equilibrium with chemicals with different hydrophobicity. An intriguing implication is that CSEM values may be used to calculate the actual critical distances of ionic pair formation for different cations, replacing Bjerrum's estimates, which only discriminate by the magnitude of the charge.

  5. 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

  6. Surface-Assisted Dynamic Search Processes.

    Science.gov (United States)

    Shin, Jaeoh; Kolomeisky, Anatoly B

    2018-03-01

    Many chemical and biological systems exhibit intermittent search phenomena when participating particles alternate between dynamic regimes with different dimensionalities. Here we investigate theoretically a dynamic search process of finding a small target on a two-dimensional surface starting from a bulk solution, which is an example of such an intermittent search process. Both continuum and discrete-state stochastic descriptions are developed. It is found that depending on the scanning length λ, which describes the area visited by the reacting molecule during one search cycle, the system can exhibit three different search regimes: (i) For small λ values, the reactant finds the target mostly via three-dimensional bulk diffusion; (ii) for large λ values, the reactant molecule associates to the target mostly via surface diffusion; and (iii) for intermediate λ values, the reactant reaches the target via a combination of three-dimensional and two-dimensional search cycles. Our analysis also shows that the mean search times have different scalings as a function of the size of the surface segment depending on the nature of the dynamic search regime. Search dynamics are also sensitive to the position of the target for large scanning lengths. In addition, it is argued that the continuum description underestimates mean search times and does not always correctly describe the most optimal conditions for the surface-assisted dynamic processes. The importance of our findings for real natural systems is discussed.

  7. 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.

  8. Data collapse and critical dynamics in neuronal avalanche data

    Science.gov (United States)

    Butler, Thomas; Friedman, Nir; Dahmen, Karin; Beggs, John; Deville, Lee; Ito, Shinya

    2012-02-01

    The tasks of information processing, computation, and response to stimuli require neural computation to be remarkably flexible and diverse. To optimally satisfy the demands of neural computation, neuronal networks have been hypothesized to operate near a non-equilibrium critical point. In spite of their importance for neural dynamics, experimental evidence for critical dynamics has been primarily limited to power law statistics that can also emerge from non-critical mechanisms. By tracking the firing of large numbers of synaptically connected cortical neurons and comparing the resulting data to the predictions of critical phenomena, we show that cortical tissues in vitro can function near criticality. Among the most striking predictions of critical dynamics is that the mean temporal profiles of avalanches of widely varying durations are quantitatively described by a single universal scaling function (data collapse). We show for the first time that this prediction is confirmed in neuronal networks. We also show that the data have three additional features predicted by critical phenomena: approximate power law distributions of avalanche sizes and durations, samples in subcritical and supercritical phases, and scaling laws between anomalous exponents.

  9. 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).

  10. Universal Critical Dynamics in High Resolution Neuronal Avalanche Data

    Science.gov (United States)

    Friedman, Nir; Ito, Shinya; Brinkman, Braden A. W.; Shimono, Masanori; DeVille, R. E. Lee; Dahmen, Karin A.; Beggs, John M.; Butler, Thomas C.

    2012-05-01

    The tasks of neural computation are remarkably diverse. To function optimally, neuronal networks have been hypothesized to operate near a nonequilibrium critical point. However, experimental evidence for critical dynamics has been inconclusive. Here, we show that the dynamics of cultured cortical networks are critical. We analyze neuronal network data collected at the individual neuron level using the framework of nonequilibrium phase transitions. Among the most striking predictions confirmed is that the mean temporal profiles of avalanches of widely varying durations are quantitatively described by a single universal scaling function. We also show that the data have three additional features predicted by critical phenomena: approximate power law distributions of avalanche sizes and durations, samples in subcritical and supercritical phases, and scaling laws between anomalous exponents.

  11. 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.

  12. 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.

  13. Quantum critical dynamics for a prototype class of insulating antiferromagnets

    Science.gov (United States)

    Wu, Jianda; Yang, Wang; Wu, Congjun; Si, Qimiao

    2018-06-01

    Quantum criticality is a fundamental organizing principle for studying strongly correlated systems. Nevertheless, understanding quantum critical dynamics at nonzero temperatures is a major challenge of condensed-matter physics due to the intricate interplay between quantum and thermal fluctuations. The recent experiments with the quantum spin dimer material TlCuCl3 provide an unprecedented opportunity to test the theories of quantum criticality. We investigate the nonzero-temperature quantum critical spin dynamics by employing an effective O (N ) field theory. The on-shell mass and the damping rate of quantum critical spin excitations as functions of temperature are calculated based on the renormalized coupling strength and are in excellent agreement with experiment observations. Their T lnT dependence is predicted to be dominant at very low temperatures, which will be tested in future experiments. Our work provides confidence that quantum criticality as a theoretical framework, which is being considered in so many different contexts of condensed-matter physics and beyond, is indeed grounded in materials and experiments accurately. It is also expected to motivate further experimental investigations on the applicability of the field theory to related quantum critical systems.

  14. Critical assessment of Pt surface energy - An atomistic study

    Science.gov (United States)

    Kim, Jin-Soo; Seol, Donghyuk; Lee, Byeong-Joo

    2018-04-01

    Despite the fact that surface energy is a fundamental quantity in understanding surface structure of nanoparticle, the results of experimental measurements and theoretical calculations for the surface energy of pure Pt show a wide range of scattering. It is necessary to further ensure the surface energy of Pt to find the equilibrium shape and atomic configuration in Pt bimetallic nanoparticles accurately. In this article, we critically assess and optimize the Pt surface energy using a semi-empirical atomistic approach based on the second nearest-neighbor modified embedded-atom method interatomic potential. That is, the interatomic potential of pure Pt was adjusted in a way that the surface segregation tendency in a wide range of Pt binary alloys is reproduced in accordance with experimental information. The final optimized Pt surface energy (mJ/m2) is 2036 for (100) surface, 2106 for (110) surface, and 1502 for (111) surface. The potential can be utilized to find the equilibrium shape and atomic configuration of Pt bimetallic nanoparticles more accurately.

  15. Entanglement dynamics in critical random quantum Ising chain with perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yichen, E-mail: ychuang@caltech.edu

    2017-05-15

    We simulate the entanglement dynamics in a critical random quantum Ising chain with generic perturbations using the time-evolving block decimation algorithm. Starting from a product state, we observe super-logarithmic growth of entanglement entropy with time. The numerical result is consistent with the analytical prediction of Vosk and Altman using a real-space renormalization group technique. - Highlights: • We study the dynamical quantum phase transition between many-body localized phases. • We simulate the dynamics of a very long random spin chain with matrix product states. • We observe numerically super-logarithmic growth of entanglement entropy with time.

  16. 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

  17. Anomalous quantum critical spin dynamics in YFe2Al10

    Science.gov (United States)

    Huang, K.; Tan, C.; Zhang, J.; Ding, Z.; MacLaughlin, D. E.; Bernal, O. O.; Ho, P.-C.; Baines, C.; Wu, L. S.; Aronson, M. C.; Shu, L.

    2018-04-01

    We report results of a muon spin relaxation (μ SR ) study of YFe2Al10 , a quasi-two-dimensional (2D) nearly ferromagnetic metal in which unconventional quantum critical behavior is observed. No static Fe2 + magnetism, with or without long-range order, is found down to 19 mK. The dynamic muon spin relaxation rate λ exhibits power-law divergences in temperature and magnetic field, the latter for fields that are too weak to affect the electronic spin dynamics directly. We attribute this to the proportionality of λ (ωμ,T ) to the dynamic structure factor S (ωμ,T ) , where ωμ≈105-107s-1 is the muon Zeeman frequency. These results suggest critical divergences of S (ωμ,T ) in both temperature and frequency. Power-law scaling and a 2D dissipative quantum XY model both yield forms for S (ω ,T ) that agree with neutron scattering data (ω ≈1012s-1 ). Extrapolation to μ SR frequencies agrees semiquantitatively with the observed temperature dependence of λ (ωμ,T ) , but predicts frequency independence for ωμ≪T , in extreme disagreement with experiment. We conclude that the quantum critical spin dynamics of YFe2Al10 is not well understood at low frequencies.

  18. 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

  19. 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.

  20. Quantum Critical Point revisited by the Dynamical Mean Field Theory

    Science.gov (United States)

    Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei

    Dynamical mean field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low energy kink and the high energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high energy antiferromagnetic paramagnons. We use the frequency dependent four-point correlation function of spin operators to calculate the momentum dependent correction to the electron self energy. Our results reveal a substantial difference with the calculations based on the Spin-Fermion model which indicates that the frequency dependence of the the quasiparitcle-paramagnon vertices is an important factor. The authors are supported by Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant DE-FOA-0001276.

  1. Quantum critical point revisited by dynamical mean-field theory

    Science.gov (United States)

    Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei M.

    2017-03-01

    Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. We use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. By comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

  2. Quantum critical point revisited by dynamical mean-field theory

    International Nuclear Information System (INIS)

    Xu, Wenhu; Kotliar, Gabriel; Rutgers University, Piscataway, NJ; Tsvelik, Alexei M.

    2017-01-01

    Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. We characterize the QCP by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. Here, we use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. Furthermore, by comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

  3. The complex dynamics of wishful thinking: the critical positivity ratio.

    Science.gov (United States)

    Brown, Nicholas J L; Sokal, Alan D; Friedman, Harris L

    2013-12-01

    We examine critically the claims made by Fredrickson and Losada (2005) concerning the construct known as the "positivity ratio." We find no theoretical or empirical justification for the use of differential equations drawn from fluid dynamics, a subfield of physics, to describe changes in human emotions over time; furthermore, we demonstrate that the purported application of these equations contains numerous fundamental conceptual and mathematical errors. The lack of relevance of these equations and their incorrect application lead us to conclude that Fredrickson and Losada's claim to have demonstrated the existence of a critical minimum positivity ratio of 2.9013 is entirely unfounded. More generally, we urge future researchers to exercise caution in the use of advanced mathematical tools, such as nonlinear dynamics, and in particular to verify that the elementary conditions for their valid application have been met. PsycINFO Database Record (c) 2013 APA, all rights reserved.

  4. Quantum critical fluctuations due to nested Fermi surface: The case of spinless fermions

    International Nuclear Information System (INIS)

    Schlottmann, P.

    2007-01-01

    A quantum critical point (QCP) can be obtained by tuning the critical temperature of a second-order phase transition to zero. A simple model of spinless fermions with nested Fermi surface leading to a charge density wave is considered. The QCP is obtained by tuning the nesting mismatch of the Fermi surface, which has the following consequences: (i) For the tuned QCP, the specific heat over T and the effective mass increase with the logarithm of the temperature as T is lowered. (ii) For the tuned QCP the linewidth of the quasi-particles is sublinear in T and ω. (iii) The specific heat and the linewidth display a crossover from non-Fermi liquid (∼T) to Fermi liquid (∼T 2 ) behavior with increasing nesting mismatch and decreasing temperature. (iv) For the tuned QCP, the dynamical charge susceptibility has a quasi-elastic peak with a linewidth proportional to T. (v) For non-critical Fermi vector mismatch the peak is inelastic. (vi) While the specific heat and the quasi-particle linewidth are only weakly dependent on the geometry of the nested Fermi surfaces, the momentum-dependent dynamical susceptibility is expected to be affected by the shape of the Fermi surface

  5. Critical dynamics of an interacting magnetic nanoparticle system

    DEFF Research Database (Denmark)

    Hansen, Mikkel Fougt; Jonsson, P.E.; Nordblad, P.

    2002-01-01

    Effects of dipole-dipole interactions on the magnetic relaxation have been investigated for three Fe-C nanoparticle samples with volume concentrations of 0.06, 5 and 17 vol%. While both the 5 and 17 vol% samples exhibit collective behaviour due to dipolar interactions, only the 17 vol% sample dis...... displays critical behaviour close to its transition temperature. The behaviour of the 5 vol% sample can be attributed to a mixture of collective and single-particle dynamics....

  6. Bursting and critical layer frequencies in minimal turbulent dynamics and connections to exact coherent states

    Science.gov (United States)

    Park, Jae Sung; Shekar, Ashwin; Graham, Michael D.

    2018-01-01

    The dynamics of the turbulent near-wall region is known to be dominated by coherent structures. These near-wall coherent structures are observed to burst in a very intermittent fashion, exporting turbulent kinetic energy to the rest of the flow. In addition, they are closely related to invariant solutions known as exact coherent states (ECS), some of which display nonlinear critical layer dynamics (motions that are highly localized around the surface on which the streamwise velocity matches the wave speed of ECS). The present work aims to investigate temporal coherence in minimal channel flow relevant to turbulent bursting and critical layer dynamics and its connection to the instability of ECS. It is seen that the minimal channel turbulence displays frequencies very close to those displayed by an ECS family recently identified in the channel flow geometry. The frequencies of these ECS are determined by critical layer structures and thus might be described as "critical layer frequencies." While the bursting frequency is predominant near the wall, the ECS frequencies (critical layer frequencies) become predominant over the bursting frequency at larger distances from the wall, and increasingly so as Reynolds number increases. Turbulent bursts are classified into strong and relatively weak classes with respect to an intermittent approach to a lower branch ECS. This temporally intermittent approach is closely related to an intermittent low drag event, called hibernating turbulence, found in minimal and large domains. The relationship between the strong burst and the instability of the lower branch ECS is further discussed in state space. The state-space dynamics of strong bursts is very similar to that of the unstable manifolds of the lower branch ECS. In particular, strong bursting processes are always preceded by hibernation events. This precursor dynamics to strong turbulence may aid in development of more effective control schemes by a way of anticipating dynamics

  7. Geometrical critical phenomena on a random surface of arbitrary genus

    International Nuclear Information System (INIS)

    Duplantier, B.; Kostov, I.K.

    1990-01-01

    The statistical mechanics of self-avoiding walks (SAW) or of the O(n)-loop model on a two-dimensional random surface are shown to be exactly solvable. The partition functions of SAW and surface configurations (possibly in the presence of vacuum loops) are calculated by planar diagram enumeration techniques. Two critical regimes are found: a dense phase where the infinite walks and loops fill the infinite surface, the non-filled part staying finite, and a dilute phase where the infinite surface singularity on the one hand, and walk and loop singularities on the other, merge together. The configuration critical exponents of self-avoiding networks of any fixed topology G, on a surface with arbitrary genus H, are calculated as universal functions of G and H. For self-avoiding walks, the exponents are built from an infinite set of basic conformal dimensions associated with central charges c = -2 (dense phase) and c = 0 (dilute phase). The conformal spectrum Δ L , L ≥ 1 associated with L-leg star polymers is calculated exactly, for c = -2 and c = 0. This is generalized to the set of L-line 'watermelon' exponents Δ L of the O(n) model on a random surface. The divergences of the partition functions of self-avoiding networks on the random surface, possibly in the presence of vacuum loops, are shown to satisfy a factorization theorem over the vertices of the network. This provides a proof, in the presence of a fluctuating metric, of a result conjectured earlier in the standard plane. From this, the value of the string susceptibility γ str (H,c) is extracted for a random surface of arbitrary genus H, bearing a field theory of central charge c, or equivalently, embedded in d=c dimensions. Lastly, by enumerating spanning trees on a random lattice, we solve the similar problem of hamiltonian walks on the (fluctuating) Manhattan covering lattice. We also obtain new results for dilute trees on a random surface. (orig./HSI)

  8. 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

  9. Network Randomization and Dynamic Defense for Critical Infrastructure Systems

    Energy Technology Data Exchange (ETDEWEB)

    Chavez, Adrian R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Martin, Mitchell Tyler [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hamlet, Jason [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Stout, William M.S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lee, Erik [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-04-01

    Critical Infrastructure control systems continue to foster predictable communication paths, static configurations, and unpatched systems that allow easy access to our nation's most critical assets. This makes them attractive targets for cyber intrusion. We seek to address these attack vectors by automatically randomizing network settings, randomizing applications on the end devices themselves, and dynamically defending these systems against active attacks. Applying these protective measures will convert control systems into moving targets that proactively defend themselves against attack. Sandia National Laboratories has led this effort by gathering operational and technical requirements from Tennessee Valley Authority (TVA) and performing research and development to create a proof-of-concept solution. Our proof-of-concept has been tested in a laboratory environment with over 300 nodes. The vision of this project is to enhance control system security by converting existing control systems into moving targets and building these security measures into future systems while meeting the unique constraints that control systems face.

  10. Nonequilibrium dynamic critical scaling of the quantum Ising chain.

    Science.gov (United States)

    Kolodrubetz, Michael; Clark, Bryan K; Huse, David A

    2012-07-06

    We solve for the time-dependent finite-size scaling functions of the one-dimensional transverse-field Ising chain during a linear-in-time ramp of the field through the quantum critical point. We then simulate Mott-insulating bosons in a tilted potential, an experimentally studied system in the same equilibrium universality class, and demonstrate that universality holds for the dynamics as well. We find qualitatively athermal features of the scaling functions, such as negative spin correlations, and we show that they should be robustly observable within present cold atom experiments.

  11. Phase dynamics of low critical current density YBCO Josephson junctions

    Energy Technology Data Exchange (ETDEWEB)

    Massarotti, D., E-mail: dmassarotti@na.infn.it [Dipartimento di Fisica, Università degli Studi di Napoli Federico II, Via Cinthia, 80126 Napoli (Italy); CNR-SPIN UOS Napoli, Complesso Universitario di Monte Sant’Angelo, Via Cinthia, 80126 Napoli (Italy); Stornaiuolo, D. [Dipartimento di Fisica, Università degli Studi di Napoli Federico II, Via Cinthia, 80126 Napoli (Italy); Rotoli, G. [Dipartimento di Ingegneria Industriale e dell’Informazione, Seconda Università di Napoli, Via Roma 29, 81031 Aversa (CE) (Italy); Carillo, F. [Nest, Scuola Normale Superiore, Piazza San Silvestro 12, 56126 Pisa (Italy); Galletti, L. [Dipartimento di Fisica, Università degli Studi di Napoli Federico II, Via Cinthia, 80126 Napoli (Italy); CNR-SPIN UOS Napoli, Complesso Universitario di Monte Sant’Angelo, Via Cinthia, 80126 Napoli (Italy); Longobardi, L. [Dipartimento di Ingegneria Industriale e dell’Informazione, Seconda Università di Napoli, Via Roma 29, 81031 Aversa (CE) (Italy); American Physical Society, 1 Research Road, Ridge, NY 11961 (United States); Beltram, F. [Nest, Scuola Normale Superiore, Piazza San Silvestro 12, 56126 Pisa (Italy); Tafuri, F. [CNR-SPIN UOS Napoli, Complesso Universitario di Monte Sant’Angelo, Via Cinthia, 80126 Napoli (Italy); Dipartimento di Ingegneria Industriale e dell’Informazione, Seconda Università di Napoli, Via Roma 29, 81031 Aversa (CE) (Italy)

    2014-08-15

    Highlights: • We study the phase dynamics of YBaCuO Josephson junctions using various tools. • We derive information on the dissipation in a wide range of transport parameters. • Dissipation in such devices can be described by a frequency dependent damping model. • The use of different substrates allows us to tune the shell circuit. - Abstract: High critical temperature superconductors (HTS) based devices can have impact in the study of the phase dynamics of Josephson junctions (JJs) thanks to the wide range of junction parameters they offer and to their unconventional properties. Measurements of current–voltage characteristics and of switching current distributions constitute a direct way to classify different regimes of the phase dynamics and of the transport, also in nontrivial case of the moderately damped regime (MDR). MDR is going to be more and more common in JJs with advances in nanopatterning superconductors and synthesizing novel hybrid systems. Distinctive signatures of macroscopic quantum tunneling and of thermal activation in presence of different tunable levels of dissipation have been detected in YBCO grain boundary JJs. Experimental data are supported by Monte Carlo simulations of the phase dynamics, in a wide range of temperatures and dissipation levels. This allows us to quantify dissipation in the MDR and partially reconstruct a phase diagram as guideline for a wide range of moderately damped systems.

  12. 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.

  13. Unstable dynamics, nonequilibrium phases, and criticality in networked excitable media

    International Nuclear Information System (INIS)

    Franciscis, S. de; Torres, J. J.; Marro, J.

    2010-01-01

    Excitable systems are of great theoretical and practical interest in mathematics, physics, chemistry, and biology. Here, we numerically study models of excitable media, namely, networks whose nodes may occasionally be dormant and the connection weights are allowed to vary with the system activity on a short-time scale, which is a convenient and realistic representation. The resulting global activity is quite sensitive to stimuli and eventually becomes unstable also in the absence of any stimuli. Outstanding consequences of such unstable dynamics are the spontaneous occurrence of various nonequilibrium phases--including associative-memory phases and one in which the global activity wanders irregularly, e.g., chaotically among all or part of the dynamic attractors--and 1/f noise as the system is driven into the phase region corresponding to the most irregular behavior. A net result is resilience which results in an efficient search in the model attractor space that can explain the origin of some observed behavior in neural, genetic, and ill-condensed matter systems. By extensive computer simulation we also address a previously conjectured relation between observed power-law distributions and the possible occurrence of a ''critical state'' during functionality of, e.g., cortical networks, and describe the precise nature of such criticality in the model which may serve to guide future experiments.

  14. General Critical Properties of the Dynamics of Scientific Discovery

    Energy Technology Data Exchange (ETDEWEB)

    Bettencourt, L. M. A. (LANL); Kaiser, D. I. (MIT)

    2011-05-31

    Scientific fields are difficult to define and compare, yet there is a general sense that they undergo similar stages of development. From this point of view it becomes important to determine if these superficial similarities can be translated into a general framework that would quantify the general advent and subsequent dynamics of scientific ideas. Such a framework would have important practical applications of allowing us to compare fields that superficially may appear different, in terms of their subject matter, research techniques, typical collaboration size, etc. Particularh' important in a field's history is the moment at which conceptual and technical unification allows widespread exchange of ideas and collaboration, at which point networks of collaboration show the analog of a percolation phenomenon, developing a giant connected component containing most authors. Here we investigate the generality of this topological transition in the collaboration structure of scientific fields as they grow and become denser. We develop a general theoretical framework in which each scientific field is an instantiation of the same large-scale topological critical phenomenon. We consider whether the evidence from a variety of specific fields is consistent with this picture, and estimate critical exponents associated with the transition. We then discuss the generality of the phenomenon and to what extent we may expect other scientific fields — including very large ones — to follow the same dynamics.

  15. Collective motion of macroscopic spheres floating on capillary ripples: dynamic heterogeneity and dynamic criticality.

    Science.gov (United States)

    Sanlı, Ceyda; Saitoh, Kuniyasu; Luding, Stefan; van der Meer, Devaraj

    2014-09-01

    When a densely packed monolayer of macroscopic spheres floats on chaotic capillary Faraday waves, a coexistence of large scale convective motion and caging dynamics typical for glassy systems is observed. We subtract the convective mean flow using a coarse graining (homogenization) method and reveal subdiffusion for the caging time scales followed by a diffusive regime at later times. We apply the methods developed to study dynamic heterogeneity and show that the typical time and length scales of the fluctuations due to rearrangements of observed particle groups significantly increase when the system approaches its largest experimentally accessible packing concentration. To connect the system to the dynamic criticality literature, we fit power laws to our results. The resultant critical exponents are consistent with those found in densely packed suspensions of colloids.

  16. Definition of a critical confining zone using surface geophysical methods

    International Nuclear Information System (INIS)

    Eddy-Dilek, C.A.; Looney, B.B.; Hoekstra, P.; Harthill, N.; Blohm, M.; Phillips, D.R.

    1997-01-01

    Definition of the hydrologic framework in layered sediments of fluvial and deltaic origin is a difficult challenge for environmental characterization and remediation programs due to the lithologic and stratigraphic heterogeneities inherent in these settings. The authors set out to use complementary geophysical surveys to determine the nature and extent of a deep confining unit at the Savannah River Site, South Carolina. Time Domain Electromagnetic (TDEM) soundings were used to define the electrical conductance of the clayey confining unit (aquitard), and shear-wave reflection seismic was used to define the stratigraphic framework. Based on correlations with borehole geophysical logs and sieve data, the shear-wave seismic proved capable of defining relatively fine layering in the coastal plain sediments, the upper and lower surfaces of a critical confining unit, and erosional features on the surface of the confining unit. The TDEM surveys defined the presence or absence of the clay facies of the confining unit. Moreover, by constraining the interpretation of the TDEM data with the thickness of the confining unit derived from the seismic data, the authors mapped the extent of the unit, showing where the clay is thicker, where it probably was never deposited, and where it was eroded by downcutting channels. These results have significant implications on the design and optimization of remedial systems

  17. 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.

  18. Static and Dynamic Verification of Critical Software for Space Applications

    Science.gov (United States)

    Moreira, F.; Maia, R.; Costa, D.; Duro, N.; Rodríguez-Dapena, P.; Hjortnaes, K.

    Space technology is no longer used only for much specialised research activities or for sophisticated manned space missions. Modern society relies more and more on space technology and applications for every day activities. Worldwide telecommunications, Earth observation, navigation and remote sensing are only a few examples of space applications on which we rely daily. The European driven global navigation system Galileo and its associated applications, e.g. air traffic management, vessel and car navigation, will significantly expand the already stringent safety requirements for space based applications Apart from their usefulness and practical applications, every single piece of onboard software deployed into the space represents an enormous investment. With a long lifetime operation and being extremely difficult to maintain and upgrade, at least when comparing with "mainstream" software development, the importance of ensuring their correctness before deployment is immense. Verification &Validation techniques and technologies have a key role in ensuring that the onboard software is correct and error free, or at least free from errors that can potentially lead to catastrophic failures. Many RAMS techniques including both static criticality analysis and dynamic verification techniques have been used as a means to verify and validate critical software and to ensure its correctness. But, traditionally, these have been isolated applied. One of the main reasons is the immaturity of this field in what concerns to its application to the increasing software product(s) within space systems. This paper presents an innovative way of combining both static and dynamic techniques exploiting their synergy and complementarity for software fault removal. The methodology proposed is based on the combination of Software FMEA and FTA with Fault-injection techniques. The case study herein described is implemented with support from two tools: The SoftCare tool for the SFMEA and SFTA

  19. Condensation and Wetting Dynamics on Micro/Nano-Structured Surfaces

    Science.gov (United States)

    Olceroglu, Emre

    Because of their adjustable wetting characteristics, micro/nanostructured surfaces are attractive for the enhancement of phase-change heat transfer where liquid-solid-vapor interactions are important. Condensation, evaporation, and boiling processes are traditionally used in a variety of applications including water harvesting, desalination, industrial power generation, HVAC, and thermal management systems. Although they have been studied by numerous researchers, there is currently a lack of understanding of the underlying mechanisms by which structured surfaces improve heat transfer during phase-change. This PhD dissertation focuses on condensation onto engineered surfaces including fabrication aspect, the physics of phase-change, and the operational limitations of engineered surfaces. While superhydrophobic condensation has been shown to produce high heat transfer rates, several critical issues remain in the field. These include surface manufacturability, heat transfer coefficient measurement limitations at low heat fluxes, failure due to surface flooding at high supersaturations, insufficient modeling of droplet growth rates, and the inherent issues associated with maintenance of non-wetted surface structures. Each of these issues is investigated in this thesis, leading to several contributions to the field of condensation on engineered surfaces. A variety of engineered surfaces have been fabricated and characterized, including nanostructured and hierarchically-structured superhydrophobic surfaces. The Tobacco mosaic virus (TMV) is used here as a biological template for the fabrication of nickel nanostructures, which are subsequently functionalized to achieve superhydrophobicity. This technique is simple and sustainable, and requires no applied heat or external power, thus making it easily extendable to a variety of common heat transfer materials and complex geometries. To measure heat transfer rates during superhydrophobic condensation in the presence of non

  20. 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

  1. 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.

  2. Critical surface phase of α2(2 × 4) reconstructed zig-zag chains on InAs(001)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Xiang [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Zhou, Xun [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); School of Physics and Electronics Science, Guizhou Normal University, Guizhou, Guiyang 550001 (China); Wang, Ji-Hong [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Luo, Zi-Jiang [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); School of Education Administration, Guizhou University of Finance and Economics, Guizhou, Guiyang 550004 (China); Zhou, Qing; Liu, Ke; Hu, Ming-Zhe [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Ding, Zhao, E-mail: zding@gzu.edu.cn [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China)

    2014-07-01

    The critical condition for InAs(001) surface phase transition has been studied, the surface phase transition of InAs(001) showed discontinuity with hysteresis cycle as a function of substrate temperature. A mixed reconstruction surface and zig-zag chain α2(2 × 4) reconstruction surface have been observed by scanning tunneling microscopy. Considering the interaction and dynamics of surface arsenic atoms, the zig-zag chains of α2(2 × 4) reconstruction were found to be actually caused by the selective adsorption and desorption of surface arsenic dimers, they played a critical role in the surface phase transition between (2 × 4) and (4 × 2). - Highlights: • Discontinuous surface phase transition phenomena on the flat InAs(001) surface • Nanoscale InAs(001) surface observed by scanning tunneling microscopy • “Zig-Zag” chains of α2(2 × 4) reconstruction • Critical role in the surface phase transition between (2 × 4) and (4 × 2)

  3. Critical surface phase of α2(2 × 4) reconstructed zig-zag chains on InAs(001)

    International Nuclear Information System (INIS)

    Guo, Xiang; Zhou, Xun; Wang, Ji-Hong; Luo, Zi-Jiang; Zhou, Qing; Liu, Ke; Hu, Ming-Zhe; Ding, Zhao

    2014-01-01

    The critical condition for InAs(001) surface phase transition has been studied, the surface phase transition of InAs(001) showed discontinuity with hysteresis cycle as a function of substrate temperature. A mixed reconstruction surface and zig-zag chain α2(2 × 4) reconstruction surface have been observed by scanning tunneling microscopy. Considering the interaction and dynamics of surface arsenic atoms, the zig-zag chains of α2(2 × 4) reconstruction were found to be actually caused by the selective adsorption and desorption of surface arsenic dimers, they played a critical role in the surface phase transition between (2 × 4) and (4 × 2). - Highlights: • Discontinuous surface phase transition phenomena on the flat InAs(001) surface • Nanoscale InAs(001) surface observed by scanning tunneling microscopy • “Zig-Zag” chains of α2(2 × 4) reconstruction • Critical role in the surface phase transition between (2 × 4) and (4 × 2)

  4. Effects of surface and bulk transverse fields on critical behaviour of ferromagnetic films

    International Nuclear Information System (INIS)

    Saber, A.; Lo Russo, S.; Mattei, G.

    2002-02-01

    The influence of surface and bulk transverse fields on the critical behaviour of a ferromagnetic Ising film is studied using the effective field theory based on a single-site cluster method. Surface exchange enhancement is considered and a critical value is obtained. The dependence of the critical uniform transverse field on film thickness, phase diagrams in the fields, critical surface transverse field versus the bulk one, and exchange coupling ratio are presented. (author)

  5. Definition of a critical confining zone using surface geophysical methods

    International Nuclear Information System (INIS)

    Eddy-Dilek, C.A.; Hoekstra, P.; Harthill, N.; Blohm, M.; Phillips, D.R.

    1996-01-01

    Definition of the hydrogeologic framework in layered sediments of fluvial and deltaic origin is a difficult challenge for environmental characterization and remediation programs due to the lithologic and stratigraphic heterogeneities inherent in these settings. These heterogeneties often control contaminant transport and the effectiveness of remediation alternatives, Surface geophysical surveys can be cost-effective methods for characterization, but individual methods have inherent limitations in resolution and sensitivity. A synergistic approach, utilizing two geophysical survey methods was applied, to define and examine the nature and extent of a deep confining zone of regulatory importance, the Crouch Branch Confining Unit, in Coastal Plain sediments at the Savannah River Site. TDEM accurately maps the overall conductance (product of thickness and electrical conductivity) of a confining zone clay facies; from variation in conductance, changes in lithology of the conforming zone can be inferred. Shear wave seismic reflection surveys map the depth to the clay layers, and the clay layer thickness, but provides little information on the lithologic nature of the confining zone. Integrated interpretation of the combined data set (including all available borehole logs) allows for delineation of the lateral and vertical extent of clay-dominated zones, sand-dominated zones, key stratigraphic horizons, and erosional features associated with unconformities. This approach has resulted in the collection of critical information that will be used to optimize remedial system design, representing a significant cost savings to environmental restoration programs at the Savannah River Site

  6. 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

  7. An effective field study of the magnetic properties and critical behaviour at the surface Ising film

    International Nuclear Information System (INIS)

    Bengrine, M.; Benyoussef, A.; Ez-Zahraouy, H.; Mhirech, F.

    1998-09-01

    The influence of corrugation and disorder at the surface on the critical behaviour of a ferromagnetic spin-1/2 Ising film is investigated using mean-field theory and finite cluster approximation. It is found that the critical surface exponent β 1 follows closely the one of a perfect surface, in the two cases: corrugated surface and random equiprobable coupling surface. However, in the case of flat surface with random interactions the surface critical exponent β 1 depends on the concentration p of the strong interaction for p>p c =0,5, while for p≤p c , such critical exponent is independent on the value of p and is equal to the one of the perfect surface. Moreover, in the case of corrugated surface, the effective exponent for a layer z, β eff J(z,n), is calculated as a function of the number of steps at the surface. (author)

  8. Dynamic Equilibrium Mechanism for Surface Nanobubble Stabilization

    NARCIS (Netherlands)

    Brenner, Michael P.; Lohse, Detlef

    2008-01-01

    Recent experiments have convincingly demonstrated the existence of surface nanobubbles on submerged hydrophobic surfaces. However, classical theory dictates that small gaseous bubbles quickly dissolve because their large Laplace pressure causes a diffusive outflux of gas. Here we suggest that the

  9. Atomic probes of surface structure and dynamics

    International Nuclear Information System (INIS)

    Heller, E.J.; Jonsson, H.

    1992-01-01

    The following were studied: New semiclassical method for scattering calculations, He atom scattering from defective Pt surfaces, He atom scattering from Xe overlayers, thermal dissociation of H 2 on Cu(110), spin flip scattering of atoms from surfaces, and Car-Parrinello simulations of surface processes

  10. Role of the surface in the critical behavior of finite systems

    Energy Technology Data Exchange (ETDEWEB)

    Duflot, V.; Chomaz, Ph. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France); Gulminelli, F. [Laboratoire de Physique Corpusculaire, LPC-ISMRa, CNRS-IN2P3, 14 - Caen (France)

    2000-07-01

    The role of surfaces in a finite system undergoing a critical phenomenon is discussed in a canonical lattice-gas model. Surfaces are constrained by a mean volume defined via a La grange multiplier. We show that critical fragment size distributions are conserved even in very small systems with surfaces. This implies that critical signals are still relevant in the study of phase transitions in finite systems. (authors)

  11. Analysis of construction dynamic plan using fuzzy critical path method

    Directory of Open Access Journals (Sweden)

    Kurij Kazimir V.

    2014-01-01

    Full Text Available Critical Path Method (CPM technique has become widely recognized as valuable tool for the planning and scheduling large construction projects. The aim of this paper is to present an analytical method for finding the Critical Path in the precedence network diagram where the duration of each activity is represented by a trapezoidal fuzzy number. This Fuzzy Critical Path Method (FCPM uses a defuzzification formula for trapezoidal fuzzy number and applies it on the total float (slack time for each activity in the fuzzy precedence network to find the critical path. The method presented in this paper is very effective in determining the critical activities and finding the critical paths.

  12. Dynamic air layer on textured superhydrophobic surfaces

    KAUST Repository

    Vakarelski, Ivan Uriev; Chan, Derek Y C; Marston, Jeremy; Thoroddsen, Sigurdur T

    2013-01-01

    -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

  13. Dynamic characterisation of the specific surface area for fracture networks

    Science.gov (United States)

    Cvetkovic, V.

    2017-12-01

    One important application of chemical transport is geological disposal of high-level nuclear waste for which crystalline rock is a prime candidate for instance in Scandinavia. Interconnected heterogeneous fractures of sparsely fractured rock such as granite, act as conduits for transport of dissolved tracers. Fluid flow is known to be highly channelized in such rocks. Channels imply narrow flow paths, adjacent to essentially stagnant water in the fracture and/or the rock matrix. Tracers are transported along channelised flow paths and retained by minerals and/or stagnant water, depending on their sorption properties; this mechanism is critical for rocks to act as a barrier and ultimately provide safety for a geological repository. The sorbing tracers are retained by diffusion and sorption on mineral surfaces, whereas non-sorbing tracers can be retained only by diffusion into stagnant water of fractures. The retention and transport properties of a sparsely fractured rock will primarily depend on the specific surface area (SSA) of the fracture network which is determined by the heterogeneous structure and flow. The main challenge when characterising SSA on the field-scale is its dependence on the flow dynamics. We first define SSA as a physical quantity and clarify its importance for chemical transport. A methodology for dynamic characterisation of SSA in fracture networks is proposed that relies on three sets of data: i) Flow rate data as obtained by a flow logging procedure; ii) transmissivity data as obtained by pumping tests; iii) fracture network data as obtained from outcrop and geophysical observations. The proposed methodology utilises these data directly as well as indirectly through flow and particle tracking simulations in three-dimensional discrete fracture networks. The methodology is exemplified using specific data from the Swedish site Laxemar. The potential impact of uncertainties is of particular significance and is illustrated for radionuclide

  14. Surface water acidification and critical loads: exploring the F-factor

    Directory of Open Access Journals (Sweden)

    K. Bishop

    2009-11-01

    Full Text Available As acid deposition decreases, uncertainties in methods for calculating critical loads become more important when judgements have to be made about whether or not further emission reductions are needed. An important aspect of one type of model that has been used to calculate surface water critical loads is the empirical F-factor which estimates the degree to which acid deposition is neutralised before it reaches a lake at any particular point in time relative to the pre-industrial, steady-state water chemistry conditions.

    In this paper we will examine how well the empirical F-functions are able to estimate pre-industrial lake chemistry as lake chemistry changes during different phases of acidification and recovery. To accomplish this, we use the dynamic, process-oriented biogeochemical model SAFE to generate a plausible time series of annual runoff chemistry for ca. 140 Swedish catchments between 1800 and 2100. These annual hydrochemistry data are then used to generate empirical F-factors that are compared to the "actual" F-factor seen in the SAFE data for each lake and year in the time series. The dynamics of the F-factor as catchments acidify, and then recover are not widely recognised.

    Our results suggest that the F-factor approach worked best during the acidification phase when soil processes buffer incoming acidity. However, the empirical functions for estimating F from contemporary lake chemistry are not well suited to the recovery phase when the F-factor turns negative due to recovery processes in the soil. This happens when acid deposition has depleted the soil store of BC, and then acid deposition declines, reducing the leaching of base cations to levels below those in the pre-industrial era. An estimate of critical load from water chemistry during recovery and empirical F functions would therefore result in critical loads that are too low. Therefore, the empirical estimates of the F-factor are a significant source of

  15. 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.

  16. 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.

  17. Rigorous lower bound on the dynamic critical exponent of some multilevel Swendsen-Wang algorithms

    International Nuclear Information System (INIS)

    Li, X.; Sokal, A.D.

    1991-01-01

    We prove the rigorous lower bound z exp ≥α/ν for the dynamic critical exponent of a broad class of multilevel (or ''multigrid'') variants of the Swendsen-Wang algorithm. This proves that such algorithms do suffer from critical slowing down. We conjecture that such algorithms in fact lie in the same dynamic universality class as the stanard Swendsen-Wang algorithm

  18. Influence of the hydrostatic stress component on critical surface expansion in forging compound products

    DEFF Research Database (Denmark)

    Vorm, T; Bay, Niels; Wanheim, Tarras

    1974-01-01

    of a superimposed hydrostatic pressure on the critical surface expansion during a forging process. The critical surface expansion appears to decrease with increasing hydrostatic pressure. This may be due to the fact that the close contact between the materials necessary to obtain bonding is created by a micro...

  19. Dynamics of electrons and holes at surfaces

    International Nuclear Information System (INIS)

    Chulkov, E.V.; Leonardo, A.; Sklyadneva, I.Yu.; Silkin, V.M.

    2007-01-01

    We present ab initio calculation results for electron-phonon (e-ph) contribution to hole lifetime broadening of the X-bar surface state on Al(0 0 1). We show that e-ph coupling in this state is significantly stronger than in bulk Al at the Fermi level. It makes the e-ph decay channel very important in the formation of the hole decay in the surface state at X-bar. We also present the results for e-e lifetime broadening in a quantum-well state in 1 ML K/Cu(1 1 1). We show that this contribution is not negligible and is much larger than that in a surface state on Ag(1 1 1)

  20. Dynamic Diversity: Toward a Contextual Understanding of Critical Mass

    Science.gov (United States)

    Garces, Liliana M.; Jayakumar, Uma M.

    2014-01-01

    Through an analysis of relevant social science evidence, this article provides a deeper understanding of critical mass, a concept that has become central in litigation efforts related to affirmative action admissions policies that seek to further the educational benefits of diversity. We demonstrate that the concept of critical mass requires an…

  1. Sensitivity Analysis of the Critical Speed in Railway Vehicle Dynamics

    DEFF Research Database (Denmark)

    Bigoni, Daniele; True, Hans; Engsig-Karup, Allan Peter

    2013-01-01

    -axle Cooperrider bogie, in order to study the sensitivity of the critical speed with respect to suspension parameters. The importance of a certain suspension component is expressed by the variance in critical speed that is ascribable to it. This proves to be useful in the identification of parameters for which...

  2. 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

  3. The Dynamics and Structures of Adsorbed Surfaces

    DEFF Research Database (Denmark)

    Nielsen, M; Ellenson, W. D.; McTague, J. P.

    1978-01-01

    . Elastic neutron diffraction measurements, determining the two-dimensional structural ordering of the adsorbed films, have been performed on layers of N2, Ar, H2, D2, O2, Kr, and He. Measurements on layers of larger molecules such as CD4 and ND3 have also been reported. Inelastic neutron scattering...... measurements, studying the dynamics of the adsorbed films are only possible in a few especially favourable cases such as 36Ar and D2 films, where the coherent phonon scattering cross-sections are very large. In other cases incoherent scattering from hydrogen can give information about e.g. the mobility...

  4. New model for surface fracture induced by dynamical stress

    OpenAIRE

    Andersen, J. V.; Lewis, L. J.

    1997-01-01

    We introduce a model where an isotropic, dynamically-imposed stress induces fracture in a thin film. Using molecular dynamics simulations, we study how the integrated fragment distribution function depends on the rate of change and magnitude of the imposed stress, as well as on temperature. A mean-field argument shows that the system becomes unstable for a critical value of the stress. We find a striking invariance of the distribution of fragments for fixed ratio of temperature and rate of ch...

  5. Bulk water freezing dynamics on superhydrophobic surfaces

    Science.gov (United States)

    Chavan, S.; Carpenter, J.; Nallapaneni, M.; Chen, J. Y.; Miljkovic, N.

    2017-01-01

    In this study, we elucidate the mechanisms governing the heat-transfer mediated, non-thermodynamic limited, freezing delay on non-wetting surfaces for a variety of characteristic length scales, Lc (volume/surface area, 3 mm commercial superhydrophobic spray coatings, showing a monotonic increase in freezing time with coating thickness. The added thermal resistance of thicker coatings was much larger than that of the nanoscale superhydrophobic features, which reduced the droplet heat transfer and increased the total freezing time. Transient finite element method heat transfer simulations of the water slab freezing process were performed to calculate the overall heat transfer coefficient at the substrate-water/ice interface during freezing, and shown to be in the range of 1-2.5 kW/m2K for these experiments. The results shown here suggest that in order to exploit the heat-transfer mediated freezing delay, thicker superhydrophobic coatings must be deposited on the surface, where the coating resistance is comparable to the bulk water/ice conduction resistance.

  6. 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.

  7. 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.

  8. Critical Dynamics : The Expansion of the Master Equation Including a Critical Point

    NARCIS (Netherlands)

    Dekker, H.

    1980-01-01

    In this thesis it is shown how to solve the master equation for a Markov process including a critical point by means of successive approximations in terms of a small parameter. A critical point occurs if, by adjusting an externally controlled quantity, the system shows a transition from normal

  9. Truncatable bootstrap equations in algebraic form and critical surface exponents

    Energy Technology Data Exchange (ETDEWEB)

    Gliozzi, Ferdinando [Dipartimento di Fisica, Università di Torino andIstituto Nazionale di Fisica Nucleare - sezione di Torino,Via P. Giuria 1, Torino, I-10125 (Italy)

    2016-10-10

    We describe examples of drastic truncations of conformal bootstrap equations encoding much more information than that obtained by a direct numerical approach. A three-term truncation of the four point function of a free scalar in any space dimensions provides algebraic identities among conformal block derivatives which generate the exact spectrum of the infinitely many primary operators contributing to it. In boundary conformal field theories, we point out that the appearance of free parameters in the solutions of bootstrap equations is not an artifact of truncations, rather it reflects a physical property of permeable conformal interfaces which are described by the same equations. Surface transitions correspond to isolated points in the parameter space. We are able to locate them in the case of 3d Ising model, thanks to a useful algebraic form of 3d boundary bootstrap equations. It turns out that the low-lying spectra of the surface operators in the ordinary and the special transitions of 3d Ising model form two different solutions of the same polynomial equation. Their interplay yields an estimate of the surface renormalization group exponents, y{sub h}=0.72558(18) for the ordinary universality class and y{sub h}=1.646(2) for the special universality class, which compare well with the most recent Monte Carlo calculations. Estimates of other surface exponents as well as OPE coefficients are also obtained.

  10. Reactor Dynamics Experiments with a Sub-Critical Assembly

    International Nuclear Information System (INIS)

    Miley, G.H.; Yang, Y.; Wu, L.; Momota, H.

    2004-01-01

    A resurgence in use of nuclear power is now underway worldwide. However due to the shutdown of many university research reactors , student laboratories must rely more heavily on use of sub-critical assemblies. Here a driven sub-critical is described that uses a cylindrical Inertial Electrostatic Confinement (IEC) device to provide a fusion neutron source. The small IEC neutron source would be inserted in a fuel element position, with its power input controlled externally at a control panel. This feature opens the way to use of the critical assembly for a number of transient experiments such as sub-critical pulsing and neutron wave propagation. That in turn adds important new insights and excitement for the student teaching laboratory

  11. Assessments of the kinetic and dynamic transient behavior of sub-critical systems (ADS) in comparison to critical reactor systems

    International Nuclear Information System (INIS)

    Schikorr, W.M.

    2001-01-01

    The neutron kinetic and the reactor dynamic behavior of Accelerator Driven Systems (ADS) is significantly different from those of conventional power reactor systems currently in use for the production of power. It is the objective of this study to examine and to demonstrate the intrinsic differences of the kinetic and dynamic behavior of accelerator driven systems to typical plant transient initiators in comparison to the known, kinetic and dynamic behavior of critical thermal and fast reactor systems. It will be shown that in sub-critical assemblies, changes in reactivity or in the external neutron source strength lead to an asymptotic power level essentially described by the instantaneous power change (i.e. prompt jump). Shutdown of ADS operating at high levels of sub-criticality, (i.e. k eff ∼0.99), without the support of reactivity control systems (such as control or safety rods), may be problematic in case the ability of cooling of the core should be impaired (i.e. loss of coolant flow). In addition, the dynamic behavior of sub-critical systems to typical plant transients such as protected or unprotected loss of flow (LOF) or heat sink (LOH) transients are not necessarily substantially different from the plant dynamic behavior of critical systems if the reactivity feedback coefficients of the ADS design are unfavorable. As expected, the state of sub-criticality and the temperature feedback coefficients, such as Doppler and coolant temperature coefficient, play dominant roles in determining the course and direction of plant transients. Should the combination of these safety coefficients be very unfavorable, not much additional margin in safety may be gained by making a critical system only sub-critical (i.e. k eff ∼0.95). A careful optimization procedure between the selected operating level of sub-criticality, the safety reactivity coefficients and the possible need for additional reactivity control systems seems, therefore, advisable during the early

  12. Nonlinear Dynamics and Nucleation Kinetics in Near-Critical Liquids

    Science.gov (United States)

    Patashinski, Alexander Z.; Ratner, Mark A.; Pines, Vladimir

    1996-01-01

    The objective of our study is to model the nonlinear behavior of a near-critical liquid following a rapid change of the temperature and/or other thermodynamic parameters (pressure, external electric or gravitational field). The thermodynamic critical point is manifested by large, strongly correlated fluctuations of the order parameter (particle density in liquid-gas systems, concentration in binary solutions) in the critical range of scales. The largest critical length scale is the correlation radius r(sub c). According to the scaling theory, r(sub c) increases as r(sub c) = r(sub 0)epsilon(exp -alpha) when the nondimensional distance epsilon = (T - T(sub c))/T(sub c) to the critical point decreases. The normal gravity alters the nature of correlated long-range fluctuations when one reaches epsilon approximately equal to 10(exp -5), and correspondingly the relaxation time, tau(r(sub c)), is approximately equal to 10(exp -3) seconds; this time is short when compared to the typical experimental time. Close to the critical point, a rapid, relatively small temperature change may perturb the thermodynamic equilibrium on many scales. The critical fluctuations have a hierarchical structure, and the relaxation involves many length and time scales. Above the critical point, in the one-phase region, we consider the relaxation of the liquid following a sudden temperature change that simultaneously violates the equilibrium on many scales. Below T(sub c), a non-equilibrium state may include a distribution of small scale phase droplets; we consider the relaxation of such a droplet following a temperature change that has made the phase of the matrix stable.

  13. Dynamic stability of passive dynamic walking on an irregular surface.

    Science.gov (United States)

    Su, Jimmy Li-Shin; Dingwell, Jonathan B

    2007-12-01

    Falls that occur during walking are a significant health problem. One of the greatest impediments to solve this problem is that there is no single obviously "correct" way to quantify walking stability. While many people use variability as a proxy for stability, measures of variability do not quantify how the locomotor system responds to perturbations. The purpose of this study was to determine how changes in walking surface variability affect changes in both locomotor variability and stability. We modified an irreducibly simple model of walking to apply random perturbations that simulated walking over an irregular surface. Because the model's global basin of attraction remained fixed, increasing the amplitude of the applied perturbations directly increased the risk of falling in the model. We generated ten simulations of 300 consecutive strides of walking at each of six perturbation amplitudes ranging from zero (i.e., a smooth continuous surface) up to the maximum level the model could tolerate without falling over. Orbital stability defines how a system responds to small (i.e., "local") perturbations from one cycle to the next and was quantified by calculating the maximum Floquet multipliers for the model. Local stability defines how a system responds to similar perturbations in real time and was quantified by calculating short-term and long-term local exponential rates of divergence for the model. As perturbation amplitudes increased, no changes were seen in orbital stability (r(2)=2.43%; p=0.280) or long-term local instability (r(2)=1.0%; p=0.441). These measures essentially reflected the fact that the model never actually "fell" during any of our simulations. Conversely, the variability of the walker's kinematics increased exponentially (r(2)>or=99.6%; psimulated conditions, the walker remained orbitally stable, while exhibiting substantial local instability. This was because very small initial perturbations diverged away from the limit cycle, while larger

  14. Effects of stressor characteristics on early warning signs of critical transitions and "critical coupling" in complex dynamical systems.

    Science.gov (United States)

    Blume, Steffen O P; Sansavini, Giovanni

    2017-12-01

    Complex dynamical systems face abrupt transitions into unstable and catastrophic regimes. These critical transitions are triggered by gradual modifications in stressors, which push the dynamical system towards unstable regimes. Bifurcation analysis can characterize such critical thresholds, beyond which systems become unstable. Moreover, the stochasticity of the external stressors causes small-scale fluctuations in the system response. In some systems, the decomposition of these signal fluctuations into precursor signals can reveal early warning signs prior to the critical transition. Here, we present a dynamical analysis of a power system subjected to an increasing load level and small-scale stochastic load perturbations. We show that the auto- and cross-correlations of bus voltage magnitudes increase, leading up to a Hopf bifurcation point, and further grow until the system collapses. This evidences a gradual transition into a state of "critical coupling," which is complementary to the established concept of "critical slowing down." Furthermore, we analyze the effects of the type of load perturbation and load characteristics on early warning signs and find that gradient changes in the autocorrelation provide early warning signs of the imminent critical transition under white-noise but not for auto-correlated load perturbations. Furthermore, the cross-correlation between all voltage magnitude pairs generally increases prior to and beyond the Hopf bifurcation point, indicating "critical coupling," but cannot provide early warning indications. Finally, we show that the established early warning indicators are oblivious to limit-induced bifurcations and, in the case of the power system model considered here, only react to an approaching Hopf bifurcation.

  15. Applications of granular-dynamics numerical simulations to asteroid surfaces

    Science.gov (United States)

    Richardson, D. C.; Michel, P.; Schwartz, S. R.; Yu, Y.; Ballouz, R.-L.; Matsumura, S.

    2014-07-01

    Spacecraft images and indirect observations including thermal inertia measurements indicate most small bodies have surface regolith. Evidence of granular flow is also apparent in the images. This material motion occurs in very low gravity, therefore in a totally different gravitational environment than on the Earth. Upcoming sample-return missions to small bodies, and possible future manned missions, will involve interaction with the surface regolith, so it is important to develop tools to predict the surface response. We have added new capabilities to the N-body gravity tree code pkdgrav [1,2] that permit the simulation of granular dynamics, including multi-contact physics and friction forces, using the soft-sphere discrete-element method [3]. The numerical approach has been validated through comparison with laboratory experiments (e.g., [3,4]). (1) We carried out impacts into granular materials using different projectile shapes under Earth's gravity [5] and compared the results to laboratory experiments [6] in support of JAXA's Hayabusa 2 asteroid sample-return mission. We tested different projectile shapes and confirmed that the 90-degree cone was the most efficient at excavating mass when impacting 5-mm-diameter glass beads. Results are sensitive to the normal coefficient of restitution and the coefficient of static friction. Preliminary experiments in micro-gravity for similar impact conditions show both the amount of ejected mass and the timescale of the impact process increase, as expected. (2) It has been found (e.g., [7,8]) that ''fresh'' (unreddened) Q-class asteroids have a high probability of recent planetary encounters (˜1 Myr; also see [9]), suggesting that surface refreshening may have occurred due to tidal effects. As an application of the potential effect of tidal interactions, we carried out simulations of Apophis' predicted 2029 encounter with the Earth to see whether regolith motion might occur, using a range of plausible material parameters

  16. Toward Control of Universal Scaling in Critical Dynamics

    Science.gov (United States)

    2016-01-27

    program that aims to synergistically combine two powerful and very successful theories for non-linear stochastic dynamics of cooperative multi...RESPONSIBLE PERSON 19b. TELEPHONE NUMBER Uwe Tauber Uwe C. T? uber , Michel Pleimling, Daniel J. Stilwell 611102 c. THIS PAGE The public reporting burden...to synergistically combine two powerful and very successful theories for non-linear stochastic dynamics of cooperative multi-component systems, namely

  17. Cinematic Operation of the Cerebral Cortex Interpreted via Critical Transitions in Self-Organized Dynamic Systems.

    Science.gov (United States)

    Kozma, Robert; Freeman, Walter J

    2017-01-01

    Measurements of local field potentials over the cortical surface and the scalp of animals and human subjects reveal intermittent bursts of beta and gamma oscillations. During the bursts, narrow-band metastable amplitude modulation (AM) patters emerge for a fraction of a second and ultimately dissolve to the broad-band random background activity. The burst process depends on previously learnt conditioned stimuli (CS), thus different AM patterns may emerge in response to different CS. This observation leads to our cinematic theory of cognition when perception happens in discrete steps manifested in the sequence of AM patterns. Our article summarizes findings in the past decades on experimental evidence of cinematic theory of cognition and relevant mathematical models. We treat cortices as dissipative systems that self-organize themselves near a critical level of activity that is a non-equilibrium metastable state. Criticality is arguably a key aspect of brains in their rapid adaptation, reconfiguration, high storage capacity, and sensitive response to external stimuli. Self-organized criticality (SOC) became an important concept to describe neural systems. We argue that transitions from one AM pattern to the other require the concept of phase transitions, extending beyond the dynamics described by SOC. We employ random graph theory (RGT) and percolation dynamics as fundamental mathematical approaches to model fluctuations in the cortical tissue. Our results indicate that perceptions are formed through a phase transition from a disorganized (high entropy) to a well-organized (low entropy) state, which explains the swiftness of the emergence of the perceptual experience in response to learned stimuli.

  18. Critical Dynamics of Burst Instabilities in the Portevin-Le Chatelier Effect

    International Nuclear Information System (INIS)

    D'Anna, Gianfranco; Nori, Franco

    2000-01-01

    We investigate the Portevin-Le Chatelier effect (PLC), by compressing Al-Mg alloys in a very large deformation range, and interpret the results from the viewpoint of phase transitions and critical phenomena. The system undergoes two dynamical phase transitions between intermittent (or ''jerky'') and ''laminar'' plastic dynamic phases. Near these two dynamic critical points, the order parameter 1/τ of the PLC effect exhibits large fluctuations, and ''critical slowing down'' (i.e., the number τ of bursts, or plastic instabilities, per unit time slows down considerably)

  19. Surface Characterization of Nanoparticles: Critical Needs and Significant Challenges

    International Nuclear Information System (INIS)

    Baer, Donald R.

    2011-01-01

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

  20. 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.

  1. Spin dynamics in Tb studied by critical neutron scattering

    DEFF Research Database (Denmark)

    Dietrich, O. W.; Als-Nielsen, Jens Aage

    1971-01-01

    The inelasticity of the critical neutron scattering in Tb was measured at and above the Neel temperature. In the hydrodynamic region the line width Gamma (q=0, kappa 1)=C kappa z1, with z=1.4+or-0.1 and c=4.3+or-0.3 meVAAz. This result deviates from the conventional theory, which predicts...

  2. Global observations and modeling of atmosphere-surface exchange of elemental mercury: a critical review

    Science.gov (United States)

    Zhu, Wei; Lin, Che-Jen; Wang, Xun; Sommar, Jonas; Fu, Xuewu; Feng, Xinbin

    2016-04-01

    Reliable quantification of air-surface fluxes of elemental Hg vapor (Hg0) is crucial for understanding mercury (Hg) global biogeochemical cycles. There have been extensive measurements and modeling efforts devoted to estimating the exchange fluxes between the atmosphere and various surfaces (e.g., soil, canopies, water, snow, etc.) in the past three decades. However, large uncertainties remain due to the complexity of Hg0 bidirectional exchange, limitations of flux quantification techniques and challenges in model parameterization. In this study, we provide a critical review on the state of science in the atmosphere-surface exchange of Hg0. Specifically, the advancement of flux quantification techniques, mechanisms in driving the air-surface Hg exchange and modeling efforts are presented. Due to the semi-volatile nature of Hg0 and redox transformation of Hg in environmental media, Hg deposition and evasion are influenced by multiple environmental variables including seasonality, vegetative coverage and its life cycle, temperature, light, moisture, atmospheric turbulence and the presence of reactants (e.g., O3, radicals, etc.). However, the effects of these processes on flux have not been fundamentally and quantitatively determined, which limits the accuracy of flux modeling. We compile an up-to-date global observational flux database and discuss the implication of flux data on the global Hg budget. Mean Hg0 fluxes obtained by micrometeorological measurements do not appear to be significantly greater than the fluxes measured by dynamic flux chamber methods over unpolluted surfaces (p = 0.16, one-tailed, Mann-Whitney U test). The spatiotemporal coverage of existing Hg0 flux measurements is highly heterogeneous with large data gaps existing in multiple continents (Africa, South Asia, Middle East, South America and Australia). The magnitude of the evasion flux is strongly enhanced by human activities, particularly at contaminated sites. Hg0 flux observations in East

  3. Global observations and modeling of atmosphere–surface exchange of elemental mercury: a critical review

    Directory of Open Access Journals (Sweden)

    W. Zhu

    2016-04-01

    Full Text Available Reliable quantification of air–surface fluxes of elemental Hg vapor (Hg0 is crucial for understanding mercury (Hg global biogeochemical cycles. There have been extensive measurements and modeling efforts devoted to estimating the exchange fluxes between the atmosphere and various surfaces (e.g., soil, canopies, water, snow, etc. in the past three decades. However, large uncertainties remain due to the complexity of Hg0 bidirectional exchange, limitations of flux quantification techniques and challenges in model parameterization. In this study, we provide a critical review on the state of science in the atmosphere–surface exchange of Hg0. Specifically, the advancement of flux quantification techniques, mechanisms in driving the air–surface Hg exchange and modeling efforts are presented. Due to the semi-volatile nature of Hg0 and redox transformation of Hg in environmental media, Hg deposition and evasion are influenced by multiple environmental variables including seasonality, vegetative coverage and its life cycle, temperature, light, moisture, atmospheric turbulence and the presence of reactants (e.g., O3, radicals, etc.. However, the effects of these processes on flux have not been fundamentally and quantitatively determined, which limits the accuracy of flux modeling. We compile an up-to-date global observational flux database and discuss the implication of flux data on the global Hg budget. Mean Hg0 fluxes obtained by micrometeorological measurements do not appear to be significantly greater than the fluxes measured by dynamic flux chamber methods over unpolluted surfaces (p = 0.16, one-tailed, Mann–Whitney U test. The spatiotemporal coverage of existing Hg0 flux measurements is highly heterogeneous with large data gaps existing in multiple continents (Africa, South Asia, Middle East, South America and Australia. The magnitude of the evasion flux is strongly enhanced by human activities, particularly at contaminated sites. Hg0

  4. 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.)

  5. Summing Feynman graphs by Monte Carlo: Planar φ3-theory and dynamically triangulated random surfaces

    International Nuclear Information System (INIS)

    Boulatov, D.V.

    1988-01-01

    New combinatorial identities are suggested relating the ratio of (n-1)th and nth orders of (planar) perturbation expansion for any quantity to some average over the ensemble of all planar graphs of the nth order. These identities are used for Monte Carlo calculation of critical exponents γ str (string susceptibility) in planar φ 3 -theory and in the dynamically triangulated random surface (DTRS) model near the convergence circle for various dimensions. In the solvable case D=1 the exact critical properties of the theory are reproduced numerically. (orig.)

  6. Dynamics and Control of Distillation Columns - A Critical Survey

    Directory of Open Access Journals (Sweden)

    Sigurd Skogestad

    1997-07-01

    Full Text Available Distillation column dynamics and control have been viewed by many as a very mature or even dead field. However, as is discussed in this paper significant new results have appeared over the last 5-10 years. These results include multiple steady states and instability in simple columns with ideal thermodynamics (which was believed to be impossible, the understanding of the difference between various control configurations and the systematic transformation between these, the feasibility of using the distillate-bottom structure, for control (which was believed to be impossible, the importance of flow dynamics for control studies, the fundamental problems in identifying models from open-loops responses, the use of simple regression estimators to estimate composition from temperatures, and an improved general understanding of the dynamic behavior of distillation columns which includes a better understanding of the fundamental difference between internal and external flow, simple formulas for estimating the dominant time constant, and a derivation of the linearizing effect of logarithmic transformations. These issues apply to all columns, even for ideal mixtures and simple columns with only two products. In addition, there have been significant advances for cases with complex thermodynamics and complex column configurations. These include the behavior and control of azeotropic distillation columns, and the possible complex dynamics of nonideal mixtures and of interlinked columns. However, both for the simple and more complex cases there are still a number of areas where further research is needed.

  7. Kawasaki dynamics with two types of particles : critical droplets

    NARCIS (Netherlands)

    Hollander, den W.Th.F.; Nardi, F.R.; Troiani, A.

    2012-01-01

    This is the third in a series of three papers in which we study a two-dimensional lattice gas consisting of two types of particles subject to Kawasaki dynamics at low temperature in a large finite box with an open boundary. Each pair of particles occupying neighboring sites has a negative binding

  8. Kawasaki dynamics with two types of particles : critical droplets

    NARCIS (Netherlands)

    Hollander, den W.Th.F.; Nardi, F.R.; Troiani, A.

    2012-01-01

    This is the third in a series of three papers in which we study a two-dimensional lattice gas consisting of two types of particles subject to Kawasaki dynamics at low temperature in a large ¿nite box with an open boundary. Each pair of particles occupying neighboring sites has a negative binding

  9. Bayesian inversion analysis of nonlinear dynamics in surface heterogeneous reactions.

    Science.gov (United States)

    Omori, Toshiaki; Kuwatani, Tatsu; Okamoto, Atsushi; Hukushima, Koji

    2016-09-01

    It is essential to extract nonlinear dynamics from time-series data as an inverse problem in natural sciences. We propose a Bayesian statistical framework for extracting nonlinear dynamics of surface heterogeneous reactions from sparse and noisy observable data. Surface heterogeneous reactions are chemical reactions with conjugation of multiple phases, and they have the intrinsic nonlinearity of their dynamics caused by the effect of surface-area between different phases. We adapt a belief propagation method and an expectation-maximization (EM) algorithm to partial observation problem, in order to simultaneously estimate the time course of hidden variables and the kinetic parameters underlying dynamics. The proposed belief propagation method is performed by using sequential Monte Carlo algorithm in order to estimate nonlinear dynamical system. Using our proposed method, we show that the rate constants of dissolution and precipitation reactions, which are typical examples of surface heterogeneous reactions, as well as the temporal changes of solid reactants and products, were successfully estimated only from the observable temporal changes in the concentration of the dissolved intermediate product.

  10. 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

  11. The Dynamics of Agile Practices for Safety-Critical Software Development

    DEFF Research Database (Denmark)

    Nielsen, Peter Axel; Tordrup Heeager, Lise

    2017-01-01

    This short paper reports from a case study of the agile development of safety-critical software. It utilizes a framework of dynamic relationships between agile practices with the purpose of demonstrating the utility of the framework to understand a case in its context, and it shows significant...... dynamics. The study is concluded by pointing at which further research on the framework is required to use the framework in managing the agile development of safety-critical software....

  12. Critical properties of Sudden Quench Dynamics in the anisotropic XY Model

    OpenAIRE

    Guo, Hongli; Liu, Zhao; Fan, Heng; Chen, Shu

    2010-01-01

    We study the zero temperature quantum dynamical critical behavior of the anisotropic XY chain under a sudden quench in a transverse field. We demonstrate theoretically that both quench magnetic susceptibility and two-particle quench correlation can be used to describe the dynamical quantum phase transition (QPT) properties. Either the quench magnetic susceptibility or the derivative of correlation functions as a function of initial magnetic field $a$ exhibits a divergence at the critical poin...

  13. 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....

  14. Surface wettability effects on critical heat flux of boiling heat transfer using nanoparticle coatings

    KAUST Repository

    Hsu, Chin-Chi

    2012-06-01

    This study investigates the effects of surface wettability on pool boiling heat transfer. Nano-silica particle coatings were used to vary the wettability of the copper surface from superhydrophilic to superhydrophobic by modifying surface topography and chemistry. Experimental results show that critical heat flux (CHF) values are higher in the hydrophilic region. Conversely, CHF values are lower in the hydrophobic region. The experimental CHF data of the modified surface do not fit the classical models. Therefore, this study proposes a simple model to build the nexus between the surface wettability and the growth of bubbles on the heating surface. © 2012 Elsevier Ltd. All rights reserved.

  15. Measurement of Dynamic Friction Coefficient on the Irregular Free Surface

    International Nuclear Information System (INIS)

    Yeom, S. H.; Seo, K. S.; Lee, J. H.; Lee, K. H.

    2007-01-01

    A spent fuel storage cask must be estimated for a structural integrity when an earthquake occurs because it freely stands on ground surface without a restriction condition. Usually the integrity estimation for a seismic load is performed by a FEM analysis, the friction coefficient for a standing surface is an important parameter in seismic analysis when a sliding happens. When a storage cask is placed on an irregular ground surface, measuring a friction coefficient of an irregular surface is very difficult because the friction coefficient is affected by the surface condition. In this research, dynamic friction coefficients on the irregular surfaces between a concrete cylinder block and a flat concrete slab are measured with two methods by one direction actuator

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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...

  2. 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

  3. 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)

  4. 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)

  5. 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.

  6. A Dynamic Hydrology-Critical Zone Framework for Rainfall-triggered Landslide Hazard Prediction

    Science.gov (United States)

    Dialynas, Y. G.; Foufoula-Georgiou, E.; Dietrich, W. E.; Bras, R. L.

    2017-12-01

    Watershed-scale coupled hydrologic-stability models are still in their early stages, and are characterized by important limitations: (a) either they assume steady-state or quasi-dynamic watershed hydrology, or (b) they simulate landslide occurrence based on a simple one-dimensional stability criterion. Here we develop a three-dimensional landslide prediction framework, based on a coupled hydrologic-slope stability model and incorporation of the influence of deep critical zone processes (i.e., flow through weathered bedrock and exfiltration to the colluvium) for more accurate prediction of the timing, location, and extent of landslides. Specifically, a watershed-scale slope stability model that systematically accounts for the contribution of driving and resisting forces in three-dimensional hillslope segments was coupled with a spatially-explicit and physically-based hydrologic model. The landslide prediction framework considers critical zone processes and structure, and explicitly accounts for the spatial heterogeneity of surface and subsurface properties that control slope stability, including soil and weathered bedrock hydrological and mechanical characteristics, vegetation, and slope morphology. To test performance, the model was applied in landslide-prone sites in the US, the hydrology of which has been extensively studied. Results showed that both rainfall infiltration in the soil and groundwater exfiltration exert a strong control on the timing and magnitude of landslide occurrence. We demonstrate the extent to which three-dimensional slope destabilizing factors, which are modulated by dynamic hydrologic conditions in the soil-bedrock column, control landslide initiation at the watershed scale.

  7. 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

  8. 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...

  9. Peak load-impulse characterization of critical pulse loads in structural dynamics

    International Nuclear Information System (INIS)

    Abrahamson, G.R.; Lindberg, H.E.

    1975-01-01

    In presenting the characterization scheme, some general features are described first. A detailed analysis is given for the rigid-plastic system of one degree of freedom to illustrate the calculation of critical load curves in terms of peak load and impulse. This is followed by the presentation of critical load curves for uniformly loaded rigid-plastic beams and plates and for dynamic buckling of cylindrical shells under uniform lateral loads. The peak load-impulse characterization of critical pulse loads is compared with the dynamic load factor characterization, and some aspects of the history of the peak load-pulse scheme are presented. (orig./HP) [de

  10. Surface water retardation around single-chain polymeric nanoparticles: critical for catalytic function?

    Science.gov (United States)

    Stals, Patrick J M; Cheng, Chi-Yuan; van Beek, Lotte; Wauters, Annelies C; Palmans, Anja R A; Han, Songi; Meijer, E W

    2016-03-01

    A library of water-soluble dynamic single-chain polymeric nanoparticles (SCPN) was prepared using a controlled radical polymerisation technique followed by the introduction of functional groups, including probes at targeted positions. The combined tools of electron paramagnetic resonance (EPR) and Overhauser dynamic nuclear polarization (ODNP) reveal that these SCPNs have structural and surface hydration properties resembling that of enzymes.

  11. Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

    Science.gov (United States)

    Sumner, Isaiah; Iyengar, Srinivasan S

    2007-10-18

    We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

  12. 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.

  13. Pinning effect on critical dynamics in Tl2Ba2CaCu2O8 films before and after introducing columnar defects

    International Nuclear Information System (INIS)

    Kim, J.-T.

    1998-01-01

    The effect of columnar defects on the critical dynamics of superconducting Tl 2 Ba 2 CaCu 2 O 8 (Tl-2212) film has been investigated. The Tl-2212 film was irradiated at 0 C by 1.3 GeV U-ions along the normal of the film surface. The dose of 6.0 x 10 10 ions/cm 2 of the U-ion irradiation corresponds to a matching field of 1.2 T. The in-plane longitudinal resistivity of the irradiated Tl-2212 has been measured as a function of magnetic field H and temperature T. The extracted fluctuation part of the conductivity σ xx (T, H) of the unirradiated sample exhibits 3D-XY scaling behavior that reveals dynamic critical exponent z = 1.8 ± 0.1 and static critical exponent v ∼ 1.338. The results indicate that the weak interlayer coupling along the c-axis of Tl-2212 significantly influences static critical exponent v and does not change dynamical critical exponent. After the irradiation, the fluctuation conductivities are enhanced by the strong pinnings and do not exhibit the same 3D-XY scaling behavior as for the unirradiated Tl-2212. Particularly at the low magnetic field values near the matching field of 1.2 T, the fluctuation conductivities show a clear deviation from the critical dynamics, suggesting that the pinning effect on the critical dynamics is significant

  14. 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.

  15. 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.

  16. 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.

  17. 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))

  18. Voltage Imaging of Waking Mouse Cortex Reveals Emergence of Critical Neuronal Dynamics

    Science.gov (United States)

    Scott, Gregory; Fagerholm, Erik D.; Mutoh, Hiroki; Leech, Robert; Sharp, David J.; Shew, Woodrow L.

    2014-01-01

    Complex cognitive processes require neuronal activity to be coordinated across multiple scales, ranging from local microcircuits to cortex-wide networks. However, multiscale cortical dynamics are not well understood because few experimental approaches have provided sufficient support for hypotheses involving multiscale interactions. To address these limitations, we used, in experiments involving mice, genetically encoded voltage indicator imaging, which measures cortex-wide electrical activity at high spatiotemporal resolution. Here we show that, as mice recovered from anesthesia, scale-invariant spatiotemporal patterns of neuronal activity gradually emerge. We show for the first time that this scale-invariant activity spans four orders of magnitude in awake mice. In contrast, we found that the cortical dynamics of anesthetized mice were not scale invariant. Our results bridge empirical evidence from disparate scales and support theoretical predictions that the awake cortex operates in a dynamical regime known as criticality. The criticality hypothesis predicts that small-scale cortical dynamics are governed by the same principles as those governing larger-scale dynamics. Importantly, these scale-invariant principles also optimize certain aspects of information processing. Our results suggest that during the emergence from anesthesia, criticality arises as information processing demands increase. We expect that, as measurement tools advance toward larger scales and greater resolution, the multiscale framework offered by criticality will continue to provide quantitative predictions and insight on how neurons, microcircuits, and large-scale networks are dynamically coordinated in the brain. PMID:25505314

  19. Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Lin; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu [Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003-9303 (United States); Hammond, Karl D. [Department of Chemical Engineering, University of Missouri, Columbia, Missouri 65211 (United States); Wirth, Brian D. [Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)

    2015-10-28

    We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (He{sub n}, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes of helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He{sub 4} and He{sub 5} clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Dynamic Eigenvalue Problem of Concrete Slab Road Surface

    Science.gov (United States)

    Pawlak, Urszula; Szczecina, Michał

    2017-10-01

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

  5. 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.

  6. 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....

  7. 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.

  8. 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

  9. 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...

  10. 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.

  11. Surface critical behavior and scaling functions for the three-dimensional mean spherical model

    Energy Technology Data Exchange (ETDEWEB)

    Amin, Magdy E. [Mathematics Department, Ar' ar Teacher College, Kingdom of Saudi Arabia (Saudi Arabia) and Mathematics Department, Faculty of Science, Minia University (Egypt)]. E-mail: aminmagdy@yahoo.com

    2006-10-09

    The d-dimensional mean spherical model on a fully finite L{sup d} simple cubic lattice with Neumann-Dirichlet boundary conditions is considered in the presence of a surface external fields acting at the surfaces bounding the system. Exact calculations are evaluated for the fully finite system and in the case of a film geometry Lx{approx}{sup d-1}. Critical finite-size scaling functions both for the specific heat and the mean-square magnetization are derived and investigated close to and below the bulk critical temperature K{sub c}.

  12. Atmospheric stability analysis over statically and dynamically rough surfaces

    Science.gov (United States)

    Maric, Emina; Metzger, Meredith; Singha, Arindam; Sadr, Reza

    2011-11-01

    The ratio of buoyancy flux to turbulent kinetic energy production in the atmospheric surface layer is investigated experimentally for air flow over two types of surfaces characterized by static and dynamic roughness. In this study, ``static'' refers to the time-invariant nature of naturally-occurring roughness over a mud/salt playa; while, ``dynamic'' refers to the behavior of water waves along an air-water interface. In both cases, time-resolved measurements of the momentum and heat fluxes were acquired from synchronized 3D sonic anemometers mounted on a vertical tower. Field campaigns were conducted at two sites, representing the ``statically'' and ``dynamically'' rough surfaces, respectively: (1) the SLTEST facility in Utah's western desert, and (2) the new Doha airport in Qatar under construction along the coast of the Persian Gulf. Note, at site 2, anemometers were located directly above the water by extension from a tower secured to the end of a 1 km-long pier. Comparisons of the Monin-Obukhov length, flux Richardson number, and gradient Richardson number are presented, and discussed in the context of the observed evolution of the turbulent spectra in response to diurnal variations of atmospheric stability. Supported by the Qatar National Research Fund.

  13. 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.

  14. 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.

  15. 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)

  16. 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.

  17. Critical realism in supply chain research: Understanding the dynamics of a seasonal goods supply chain

    OpenAIRE

    Adamides, E. D.; Papachristos, G.; Pomonis, N.

    2012-01-01

    Purpose – The purpose of this paper is to show how a critical realist paradigmatic stance and its associated research methodology can contribute to supply‐chain research by providing explanations for specific supply‐chain‐ and logistics‐related dynamic phenomena. / Design/methodology/approach – Initially, the case for a critical realist research paradigm is made, and then a retroductive pluralistic research methodology is used for demonstrating its application. Starting from an observation in...

  18. The magnetic flux dynamics in the critical state of one-dimensional discrete superconductor

    International Nuclear Information System (INIS)

    Ginzburg, S.L.; Nakin, A.V.; Savitskaya, N.E.

    2006-01-01

    We give a theoretical description of avalanche-like dynamics of magnetic flux in the critical state of discrete superconductors using a one-dimensional model of a multijunction SQUID. We show that the system under consideration demonstrates the self-organized criticality. The avalanches of vortices manifest themselves as jumps of the total magnetic flux in the sample. The sizes of these jumps have a power-law distribution. We argue that similarities in the behavior of discrete and usual type-II superconductors allows to extend our results for description of avalanche-like dynamics in type-II superconductors with strong pinning

  19. Critical Assessment of the Surface Tension determined by the Maximum Pressure Bubble Method

    OpenAIRE

    Benedetto, Franco Emmanuel; Zolotucho, Hector; Prado, Miguel Oscar

    2015-01-01

    The main factors that influence the value of surface tension of a liquid measured with the Maximum Pressure Bubble Method are critically evaluated. We present experimental results showing the effect of capillary diameter, capillary depth, bubble spheroidicity and liquid density at room temperature. We show that the decrease of bubble spheroidicity due to increase of capillary immersion depth is not sufficient to explain the deviations found in the measured surface tension values. Thus, we pro...

  20. Assessing the dynamic material criticality of infrastructure transitions: A case of low carbon electricity

    International Nuclear Information System (INIS)

    Roelich, Katy; Dawson, David A.; Purnell, Phil; Knoeri, Christof; Revell, Ruairi; Busch, Jonathan; Steinberger, Julia K.

    2014-01-01

    Highlights: • We present a method to analyse material criticality of infrastructure transitions. • Criticality is defined as the potential for, and exposure to, supply disruption. • Our method is dynamic reducing the probability of lock-in to at-risk technologies. • We show that supply disruption potential is reducing but exposure is increasing. - Abstract: Decarbonisation of existing infrastructure systems requires a dynamic roll-out of technology at an unprecedented scale. The potential disruption in supply of critical materials could endanger such a transition to low-carbon infrastructure and, by extension, compromise energy security more broadly because low carbon technologies are reliant on these materials in a way that fossil-fuelled energy infrastructure is not. Criticality is currently defined as the combination of the potential for supply disruption and the exposure of a system of interest to that disruption. We build on this definition and develop a dynamic approach to quantifying criticality, which monitors the change in criticality during the transition towards a low-carbon infrastructure goal. This allows us to assess the relative risk of different technology pathways to reach a particular goal and reduce the probability of being ‘locked in’ to currently attractive but potentially future-critical technologies. To demonstrate, we apply our method to criticality of the proposed UK electricity system transition, with a focus on neodymium. We anticipate that the supply disruption potential of neodymium will decrease by almost 30% by 2050; however, our results show the criticality of low carbon electricity production increases ninefold over this period, as a result of increasing exposure to neodymium-reliant technologies

  1. Firm Size, a Self-Organized Critical Phenomenon: Evidence from the Dynamical Systems Theory

    Science.gov (United States)

    Chandra, Akhilesh

    This research draws upon a recent innovation in the dynamical systems literature called the theory of self -organized criticality (SOC) (Bak, Tang, and Wiesenfeld 1988) to develop a computational model of a firm's size by relating its internal and the external sub-systems. As a holistic paradigm, the theory of SOC implies that a firm as a composite system of many degrees of freedom naturally evolves to a critical state in which a minor event starts a chain reaction that can affect either a part or the system as a whole. Thus, the global features of a firm cannot be understood by analyzing its individual parts separately. The causal framework builds upon a constant capital resource to support a volume of production at the existing level of efficiency. The critical size is defined as the production level at which the average product of a firm's factors of production attains its maximum value. The non -linearity is inferred by a change in the nature of relations at the border of criticality, between size and the two performance variables, viz., the operating efficiency and the financial efficiency. The effect of breaching the critical size is examined on the stock price reactions. Consistent with the theory of SOC, it is hypothesized that the temporal response of a firm breaching the level of critical size should behave as a flicker noise (1/f) process. The flicker noise is characterized by correlations extended over a wide range of time scales, indicating some sort of cooperative effect among a firm's degrees of freedom. It is further hypothesized that a firm's size evolves to a spatial structure with scale-invariant, self-similar (fractal) properties. The system is said to be self-organized inasmuch as it naturally evolves to the state of criticality without any detailed specifications of the initial conditions. In this respect, the critical state is an attractor of the firm's dynamics. Another set of hypotheses examines the relations between the size and the

  2. Molecular dynamics simulation of a binary mixture near the lower critical point

    Energy Technology Data Exchange (ETDEWEB)

    Pousaneh, Faezeh; Edholm, Olle, E-mail: oed@kth.se [Theoretical Biological Physics, Department of Theoretical Physics, Royal Institute of Technology (KTH), AlbaNova University Center, SE-106 91 Stockholm (Sweden); Maciołek, Anna [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Max-Planck-Institut für Intelligente Systeme, Heisenbergstrasse 3, D-70569 Stuttgart (Germany)

    2016-07-07

    2,6-lutidine molecules mix with water at high and low temperatures but in a wide intermediate temperature range a 2,6-lutidine/water mixture exhibits a miscibility gap. We constructed and validated an atomistic model for 2,6-lutidine and performed molecular dynamics simulations of 2,6-lutidine/water mixture at different temperatures. We determined the part of demixing curve with the lower critical point. The lower critical point extracted from our data is located close to the experimental one. The estimates for critical exponents obtained from our simulations are in a good agreement with the values corresponding to the 3D Ising universality class.

  3. 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

  4. An approach to determine a critical size for rolling contact fatigue initiating from rail surface defects

    NARCIS (Netherlands)

    Li, Z.; Zhao, X.; Dollevoet, R.P.B.J.

    2016-01-01

    A methodology for the determination of a critical size of surface defects, above which RCF can initiate, has been developed and demonstrated with its application to the passive type of squats under typical Dutch railway loading conditions. Such a methodology is based on stress evaluation of

  5. Basement to surface expressions and critical factors in the genesis of unconformity-related deposits

    International Nuclear Information System (INIS)

    Potter, Eric

    2014-01-01

    Two subprojects: 1) Basement to surface expressions of deep mineralization and refinement of critical factors leading to the genesis of unconformity-related uranium deposits; and 2) Recognition of uranium ore system alteration signatures in complex terranes: IOCG vs albite-hosted uranium vs volcanic-hosted uranium.

  6. Estimation of the Critical Temperatures of Some More Deep Eutectic Solvents from Their Surface Tensions

    Directory of Open Access Journals (Sweden)

    Yizhak Marcus

    2018-01-01

    Full Text Available The critical temperatures of two dozen deep eutectic solvents, for only some of which these have been estimated previously, were estimated from the temperature dependences of their surface tensions and densities available in the literature according to the Eötvös and the Guggenheim expressions.

  7. Gauge dependence of the critical dynamics at the superconducting phase transition

    Directory of Open Access Journals (Sweden)

    M.Dudka

    2007-01-01

    Full Text Available The critical dynamics of superconductors in the charged regime is reconsidered within field-theory. For the dynamics, the Ginzburg-Landau model with complex order parameter coupled to the gauge field suggested earlier [Lannert et al. Phys. Rev. Lett. 92, 097004 (2004] is used. Assuming relaxational dynamics for both quantities, the renormalization group functions within one loop approximation are recalculated for different choices of the gauge. A gauge independent result for the divergence of the melectric conductivity is obtained only at the weak scaling fixed point unstable in one loop order where the timescales of the order parameter and the gauge field are different.

  8. Renormalization group and instantons in stochastic nonlinear dynamics, from self-organized criticality to thermonuclear reactors

    International Nuclear Information System (INIS)

    Volchenkov, D.

    2009-01-01

    Stochastic counterparts of nonlinear dynamics are studied by means of nonperturbative functional methods developed in the framework of quantum field theory (QFT). In particular, we discuss fully developed turbulence, including leading corrections on possible compressibility of fluids, transport through porous media, theory of waterspouts and tsunami waves, stochastic magnetohydrodynamics, turbulent transport in crossed fields, self-organized criticality, and dynamics of accelerated wrinkled flame fronts advancing in a wide canal. This report would be of interest to the broad auditorium of physicists and applied mathematicians, with a background in nonperturbative QFT methods or nonlinear dynamical systems, having an interest in both methodological developments and interdisciplinary applications. (author)

  9. Renormalization group and instantons in stochastic nonlinear dynamics, from self-organized criticality to thermonuclear reactors

    Energy Technology Data Exchange (ETDEWEB)

    Volchenkov, D. [Bielefeld Univ., Center of Excellence Cognitive Interaction Technology (CITEC) (Germany)

    2009-03-15

    Stochastic counterparts of nonlinear dynamics are studied by means of nonperturbative functional methods developed in the framework of quantum field theory (QFT). In particular, we discuss fully developed turbulence, including leading corrections on possible compressibility of fluids, transport through porous media, theory of waterspouts and tsunami waves, stochastic magnetohydrodynamics, turbulent transport in crossed fields, self-organized criticality, and dynamics of accelerated wrinkled flame fronts advancing in a wide canal. This report would be of interest to the broad auditorium of physicists and applied mathematicians, with a background in nonperturbative QFT methods or nonlinear dynamical systems, having an interest in both methodological developments and interdisciplinary applications. (author)

  10. 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

  11. 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.

  12. A non-critical string approach to black holes, time and quantum dynamics

    CERN Document Server

    Ellis, John R.; Nanopoulos, Dimitri V.

    1994-01-01

    We review our approach to time and quantum dynamics based on non-critical string theory, developing its relationship to previous work on non-equilibrium quantum statistical mechanics and the microscopic arrow of time. We exhibit specific non-factorizing contributions to the {\

  13. Euler Strut: A Mechanical Analogy for Dynamics in the Vicinity of a Critical Point

    Science.gov (United States)

    Bobnar, Jaka; Susman, Katarina; Parsegian, V. Adrian; Rand, Peter R.; Cepic, Mojca; Podgornik, Rudolf

    2011-01-01

    An anchored elastic filament (Euler strut) under an external point load applied to its free end is a simple model for a second-order phase transition. In the static case, a load greater than the critical load causes a Euler buckling instability, leading to a change in the filament's shape. The analysis of filament dynamics with an external point…

  14. Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone

    Energy Technology Data Exchange (ETDEWEB)

    Mauguière, Frédéric A. L., E-mail: frederic.mauguiere@bristol.ac.uk; Collins, Peter, E-mail: peter.collins@bristol.ac.uk; Wiggins, Stephen, E-mail: stephen.wiggins@mac.com [School of Mathematics, University of Bristol, Bristol BS8 1TW (United Kingdom); Kramer, Zeb C., E-mail: zebcolterkramer@gmail.com; Ezra, Gregory S., E-mail: gse1@cornell.edu [Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, New York 14853 (United States); Carpenter, Barry K., E-mail: carpenterb1@cardiff.ac.uk [School of Chemistry, Cardiff University, Cardiff CF10 3AT (United Kingdom); Farantos, Stavros C., E-mail: farantos@iesl.forth.gr [Institute of Electronic Structure and Laser, Foundation for Research and Technology - Hellas, and Department of Chemistry, University of Crete, Iraklion 711 10, Crete (Greece)

    2016-02-07

    We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic invariant tori, it is possible to define phase space dividing surfaces that are analogous to the dividing surfaces governing transition from reactants to products near a critical point of the potential energy surface. We investigate the problem of capture of an atom by a diatomic molecule and show that a normally hyperbolic invariant manifold exists at large atom-diatom distances, away from any critical points on the potential. This normally hyperbolic invariant manifold is the anchor for the construction of a dividing surface in phase space, which defines the outer or loose transition state governing capture dynamics. We present an algorithm for sampling an approximate capture dividing surface, and apply our methods to the recombination of the ozone molecule. We treat both 2 and 3 degrees of freedom models with zero total angular momentum. We have located the normally hyperbolic invariant manifold from which the orbiting (outer) transition state is constructed. This forms the basis for our analysis of trajectories for ozone in general, but with particular emphasis on the roaming trajectories.

  15. 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...

  16. Experimental investigation of pool boiling heat transfer and critical heat flux on a downward facing surface

    International Nuclear Information System (INIS)

    Gocmanac, M.; Luxat, J.C.

    2012-01-01

    A separate effects experimental study of heat transfer and Critical Heat Flux (CHF) on a downward facing plate in subcooled water pool boiling is described. Two geometries of downwards facing surfaces are studied. The first is termed the 'confined' study in which bubble motion is restricted to the heated surface. The second is termed the 'unconfined' study where individual bubbles are free to move along the heated surface and vent in any direction. The method used in the confined study is novel and involves the placement of a lip surrounding the heated surface. The CHF as a function of angle of inclination of the surface is presented and is in good agreement with other experimental data from somewhat different test geometries. (author)

  17. 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.

  18. 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.

  19. Critical heat flux for downward-facing pool boiling on CANDU calandria tube surface

    Energy Technology Data Exchange (ETDEWEB)

    Behdadi, Azin, E-mail: behdada@mcmaster.ca; Talebi, Farshad; Luxat, John

    2017-04-15

    Highlights: • Pressure tube-calandria tube contact may challenge fuel channel integrity in CANDU. • Critical heat flux variation is predicted on the outer surface of CANDU calandria tube. • A two-phase boundary layer flow driven by buoyancy is modeled on the surface. • Different slip ratios and flow regimes are considered inside the boundary layer. • Subcooling effects are added to the model using wall heat flux partitioning. - Abstract: One accident scenario in CANDU reactors that can challenge the integrity of the primary pressure boundary is a loss of coolant accident, referred to as critical break LOCA, in which the pressure tube (PT) can undergo thermal creep strain deformation and contact its calandria tube (CT). In such case, rapid redistribution of stored heat from PT to CT, leads to a large spike in heat flux to the moderator which can cause bubble accumulation and dryout on the CT surface. A challenge to fuel channel integrity is posed if critical heat flux occurs on the surface of the CT and results in sustained film boiling. If the post-dryout temperature becomes sufficiently high then continued creep strain of the PT and CT may lead to fuel channel failure. In this study, a mechanistic model is developed to predict the critical heat flux variations along the downward facing outer surface of CT. The hydrodynamic model considers a liquid macrolayer beneath an elongated vapor slug on the surface. Local dryout is postulated to occur whenever the fresh liquid supply to the macrolayer is not sufficient to compensate for the liquid depletion. A boundary layer analysis is performed, treating the two phase motion as an external buoyancy driven flow. The model shows good agreement with the available experimental data and has been modified to take into account the effect of subcooling.

  20. Critical dynamics a field theory approach to equilibrium and non-equilibrium scaling behavior

    CERN Document Server

    Täuber, Uwe C

    2014-01-01

    Introducing a unified framework for describing and understanding complex interacting systems common in physics, chemistry, biology, ecology, and the social sciences, this comprehensive overview of dynamic critical phenomena covers the description of systems at thermal equilibrium, quantum systems, and non-equilibrium systems. Powerful mathematical techniques for dealing with complex dynamic systems are carefully introduced, including field-theoretic tools and the perturbative dynamical renormalization group approach, rapidly building up a mathematical toolbox of relevant skills. Heuristic and qualitative arguments outlining the essential theory behind each type of system are introduced at the start of each chapter, alongside real-world numerical and experimental data, firmly linking new mathematical techniques to their practical applications. Each chapter is supported by carefully tailored problems for solution, and comprehensive suggestions for further reading, making this an excellent introduction to critic...

  1. Phase transitions, nonequilibrium dynamics, and critical behavior of strongly interacting systems

    International Nuclear Information System (INIS)

    Mottola, E.; Bhattacharya, T.; Cooper, F.

    1998-01-01

    This is the final report of a three-year, Laboratory Directed Research and Development project at Los Alamos National Laboratory. In this effort, large-scale simulations of strongly interacting systems were performed and a variety of approaches to the nonequilibrium dynamics of phase transitions and critical behavior were investigated. Focus areas included (1) the finite-temperature quantum chromodynamics phase transition and nonequilibrium dynamics of a new phase of matter (the quark-gluon plasma) above the critical temperature, (2) nonequilibrium dynamics of a quantum fields using mean field theory, and (3) stochastic classical field theoretic models with applications to spinodal decomposition and structural phase transitions in a variety of systems, such as spin chains and shape memory alloys

  2. Phase transitions, nonequilibrium dynamics, and critical behavior of strongly interacting systems

    Energy Technology Data Exchange (ETDEWEB)

    Mottola, E.; Bhattacharya, T.; Cooper, F. [and others

    1998-12-31

    This is the final report of a three-year, Laboratory Directed Research and Development project at Los Alamos National Laboratory. In this effort, large-scale simulations of strongly interacting systems were performed and a variety of approaches to the nonequilibrium dynamics of phase transitions and critical behavior were investigated. Focus areas included (1) the finite-temperature quantum chromodynamics phase transition and nonequilibrium dynamics of a new phase of matter (the quark-gluon plasma) above the critical temperature, (2) nonequilibrium dynamics of a quantum fields using mean field theory, and (3) stochastic classical field theoretic models with applications to spinodal decomposition and structural phase transitions in a variety of systems, such as spin chains and shape memory alloys.

  3. Optimal system size for complex dynamics in random neural networks near criticality

    Energy Technology Data Exchange (ETDEWEB)

    Wainrib, Gilles, E-mail: wainrib@math.univ-paris13.fr [Laboratoire Analyse Géométrie et Applications, Université Paris XIII, Villetaneuse (France); García del Molino, Luis Carlos, E-mail: garciadelmolino@ijm.univ-paris-diderot.fr [Institute Jacques Monod, Université Paris VII, Paris (France)

    2013-12-15

    In this article, we consider a model of dynamical agents coupled through a random connectivity matrix, as introduced by Sompolinsky et al. [Phys. Rev. Lett. 61(3), 259–262 (1988)] in the context of random neural networks. When system size is infinite, it is known that increasing the disorder parameter induces a phase transition leading to chaotic dynamics. We observe and investigate here a novel phenomenon in the sub-critical regime for finite size systems: the probability of observing complex dynamics is maximal for an intermediate system size when the disorder is close enough to criticality. We give a more general explanation of this type of system size resonance in the framework of extreme values theory for eigenvalues of random matrices.

  4. Optimal system size for complex dynamics in random neural networks near criticality

    International Nuclear Information System (INIS)

    Wainrib, Gilles; García del Molino, Luis Carlos

    2013-01-01

    In this article, we consider a model of dynamical agents coupled through a random connectivity matrix, as introduced by Sompolinsky et al. [Phys. Rev. Lett. 61(3), 259–262 (1988)] in the context of random neural networks. When system size is infinite, it is known that increasing the disorder parameter induces a phase transition leading to chaotic dynamics. We observe and investigate here a novel phenomenon in the sub-critical regime for finite size systems: the probability of observing complex dynamics is maximal for an intermediate system size when the disorder is close enough to criticality. We give a more general explanation of this type of system size resonance in the framework of extreme values theory for eigenvalues of random matrices

  5. Non-linear quantum critical dynamics and fluctuation-dissipation ratios far from equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Zamani, Farzaneh [Max Planck Institute for the Physics of Complex Systems, Nöthnitzer Str. 38, 01187 Dresden (Germany); Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187 Dresden (Germany); Ribeiro, Pedro [CeFEMA, Instituto Superior Tcnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Russian Quantum Center, Novaya Street 100 A, Skolkovo, Moscow Area, 143025 (Russian Federation); Kirchner, Stefan, E-mail: stefan.kirchner@correlated-matter.com [Center for Correlated Matter, Zhejiang University, Hangzhou, Zhejiang 310058 (China)

    2016-02-15

    Non-thermal correlations of strongly correlated electron systems and the far-from-equilibrium properties of phases of condensed matter have become a topical research area. Here, an overview of the non-linear dynamics found near continuous zero-temperature phase transitions within the context of effective temperatures is presented. In particular, we focus on models of critical Kondo destruction. Such a quantum critical state, where Kondo screening is destroyed in a critical fashion, is realized in a number of rare earth intermetallics. This raises the possibility of experimentally testing for the existence of fluctuation-dissipation relations far from equilibrium in terms of effective temperatures. Finally, we present an analysis of a non-interacting, critical reference system, the pseudogap resonant level model, in terms of effective temperatures and contrast these results with those obtained near interacting quantum critical points. - Highlights: • Critical Kondo destruction explains the unusual properties of quantum critical heavy fermion compounds. • We review the concept of effective temperatures in models of critical Kondo destruction. • We compare effective temperatures found near non-interacting and fully interacting fixed points. • A comparison with non-interacting quantum impurity models is presented.

  6. Analysis of neutronics and dynamic characteristics with reactivity injection in LBE cooled sub-critical reactor

    International Nuclear Information System (INIS)

    Chen Sen; Wu Yican; Jin Ming; Chen Zhibin; Bai Yunqing; Zhao Zhumin

    2014-01-01

    Accelerator Driven Sub-critical System (ADS) has particular neutronics behaviors compared with the critical system. Prompt jump approximation point reactor kinetics equations taken external source into account have been deduced using an approach of prompt jump approximation. And the relationship between injection reactivity and power ampliation has been achieved. In addition, based on the RELAP5 code the prolong development of point reactor kinetics code used into assessing sub-critical system have been promoted. Different sub-criticality (k eff = 0.90, 0.95, 0.97, 0.98 and 0.99) have been assessed in preliminary design of a type of natural circulation cooling sub-critical reactor under conditions of reactivity injection +1 β in one second. It shows that the external source prompt transient approximation method has an accurate solution after injecting reactivity around short time and has a capacity to solve the dynamic equation, and the sub-critical system has an inner stability while the deeper sub-criticality the less impact on the sub-critical system. (authors)

  7. 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...

  8. Critical heat flux (CHF) phenomenon on a downward facing curved surface

    Energy Technology Data Exchange (ETDEWEB)

    Cheung, F.B.; Haddad, K.H.; Liu, Y.C. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Mechanical Engineering

    1997-06-01

    This report describes a theoretical and experimental study of the boundary layer boiling and critical heat flux phenomena on a downward facing curved heating surface, including both hemispherical and toroidal surfaces. A subscale boundary layer boiling (SBLB) test facility was developed to measure the spatial variation of the critical heat flux and observe the underlying mechanisms. Transient quenching and steady-state boiling experiments were performed in the SBLB facility under both saturated and subcooled conditions to obtain a complete database on the critical heat flux. To complement the experimental effort, an advanced hydrodynamic CHF model was developed from the conservation laws along with sound physical arguments. The model provides a clear physical explanation for the spatial variation of the CHF observed in the SBLB experiments and for the weak dependence of the CHF data on the physical size of the vessel. Based upon the CHF model, a scaling law was established for estimating the local critical heat flux on the outer surface of a heated hemispherical vessel that is fully submerged in water. The scaling law, which compares favorably with all the available local CHF data obtained for various vessel sizes, can be used to predict the local CHF limits on large commercial-size vessels. This technical information represents one of the essential elements that is needed in assessing the efficacy of external cooling of core melt by cavity flooding as a severe accident management strategy. 83 figs., 3 tabs.

  9. Critical heat flux (CHF) phenomenon on a downward facing curved surface

    International Nuclear Information System (INIS)

    Cheung, F.B.; Haddad, K.H.; Liu, Y.C.

    1997-06-01

    This report describes a theoretical and experimental study of the boundary layer boiling and critical heat flux phenomena on a downward facing curved heating surface, including both hemispherical and toroidal surfaces. A subscale boundary layer boiling (SBLB) test facility was developed to measure the spatial variation of the critical heat flux and observe the underlying mechanisms. Transient quenching and steady-state boiling experiments were performed in the SBLB facility under both saturated and subcooled conditions to obtain a complete database on the critical heat flux. To complement the experimental effort, an advanced hydrodynamic CHF model was developed from the conservation laws along with sound physical arguments. The model provides a clear physical explanation for the spatial variation of the CHF observed in the SBLB experiments and for the weak dependence of the CHF data on the physical size of the vessel. Based upon the CHF model, a scaling law was established for estimating the local critical heat flux on the outer surface of a heated hemispherical vessel that is fully submerged in water. The scaling law, which compares favorably with all the available local CHF data obtained for various vessel sizes, can be used to predict the local CHF limits on large commercial-size vessels. This technical information represents one of the essential elements that is needed in assessing the efficacy of external cooling of core melt by cavity flooding as a severe accident management strategy. 83 figs., 3 tabs

  10. 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.

  11. 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

  12. 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.

  13. 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

  14. Collective motion of macroscopic spheres floating on capillary ripples: Dynamic heterogeneity and dynamic criticality

    NARCIS (Netherlands)

    Sanli, Ceyda; Saitoh, K.; Luding, Stefan; van der Meer, Roger M.

    2014-01-01

    When a densely packed monolayer of macroscopic spheres floats on chaotic capillary Faraday waves, a coexistence of large scale convective motion and caging dynamics typical for glassy systems is observed. We subtract the convective mean flow using a coarse graining (homogenization) method and reveal

  15. 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.

  16. Surface dynamics of voltage-gated ion channels

    Science.gov (United States)

    Heine, Martin; Ciuraszkiewicz, Anna; Voigt, Andreas; Heck, Jennifer; Bikbaev, Arthur

    2016-01-01

    ABSTRACT Neurons encode information in fast changes of the membrane potential, and thus electrical membrane properties are critically important for the integration and processing of synaptic inputs by a neuron. These electrical properties are largely determined by ion channels embedded in the membrane. The distribution of most ion channels in the membrane is not spatially uniform: they undergo activity-driven changes in the range of minutes to days. Even in the range of milliseconds, the composition and topology of ion channels are not static but engage in highly dynamic processes including stochastic or activity-dependent transient association of the pore-forming and auxiliary subunits, lateral diffusion, as well as clustering of different channels. In this review we briefly discuss the potential impact of mobile sodium, calcium and potassium ion channels and the functional significance of this for individual neurons and neuronal networks. PMID:26891382

  17. Coherent inflationary dynamics for Bose-Einstein condensates crossing a quantum critical point

    Science.gov (United States)

    Feng, Lei; Clark, Logan W.; Gaj, Anita; Chin, Cheng

    2018-03-01

    Quantum phase transitions, transitions between many-body ground states, are of extensive interest in research ranging from condensed-matter physics to cosmology1-4. Key features of the phase transitions include a stage with rapidly growing new order, called inflation in cosmology5, followed by the formation of topological defects6-8. How inflation is initiated and evolves into topological defects remains a hot topic of debate. Ultracold atomic gas offers a pristine and tunable platform to investigate quantum critical dynamics9-21. We report the observation of coherent inflationary dynamics across a quantum critical point in driven Bose-Einstein condensates. The inflation manifests in the exponential growth of density waves and populations in well-resolved momentum states. After the inflation stage, extended coherent dynamics is evident in both real and momentum space. We present an intuitive description of the quantum critical dynamics in our system and demonstrate the essential role of phase fluctuations in the formation of topological defects.

  18. msiDBN: A Method of Identifying Critical Proteins in Dynamic PPI Networks

    Directory of Open Access Journals (Sweden)

    Yuan Zhang

    2014-01-01

    Full Text Available Dynamics of protein-protein interactions (PPIs reveals the recondite principles of biological processes inside a cell. Shown in a wealth of study, just a small group of proteins, rather than the majority, play more essential roles at crucial points of biological processes. This present work focuses on identifying these critical proteins exhibiting dramatic structural changes in dynamic PPI networks. First, a comprehensive way of modeling the dynamic PPIs is presented which simultaneously analyzes the activity of proteins and assembles the dynamic coregulation correlation between proteins at each time point. Second, a novel method is proposed, named msiDBN, which models a common representation of multiple PPI networks using a deep belief network framework and analyzes the reconstruction errors and the variabilities across the time courses in the biological process. Experiments were implemented on data of yeast cell cycles. We evaluated our network construction method by comparing the functional representations of the derived networks with two other traditional construction methods. The ranking results of critical proteins in msiDBN were compared with the results from the baseline methods. The results of comparison showed that msiDBN had better reconstruction rate and identified more proteins of critical value to yeast cell cycle process.

  19. 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

  20. System Dynamics Approach for Critical Infrastructure and Decision Support. A Model for a Potable Water System.

    Science.gov (United States)

    Pasqualini, D.; Witkowski, M.

    2005-12-01

    The Critical Infrastructure Protection / Decision Support System (CIP/DSS) project, supported by the Science and Technology Office, has been developing a risk-informed Decision Support System that provides insights for making critical infrastructure protection decisions. The system considers seventeen different Department of Homeland Security defined Critical Infrastructures (potable water system, telecommunications, public health, economics, etc.) and their primary interdependencies. These infrastructures have been modeling in one model called CIP/DSS Metropolitan Model. The modeling approach used is a system dynamics modeling approach. System dynamics modeling combines control theory and the nonlinear dynamics theory, which is defined by a set of coupled differential equations, which seeks to explain how the structure of a given system determines its behavior. In this poster we present a system dynamics model for one of the seventeen critical infrastructures, a generic metropolitan potable water system (MPWS). Three are the goals: 1) to gain a better understanding of the MPWS infrastructure; 2) to identify improvements that would help protect MPWS; and 3) to understand the consequences, interdependencies, and impacts, when perturbations occur to the system. The model represents raw water sources, the metropolitan water treatment process, storage of treated water, damage and repair to the MPWS, distribution of water, and end user demand, but does not explicitly represent the detailed network topology of an actual MPWS. The MPWS model is dependent upon inputs from the metropolitan population, energy, telecommunication, public health, and transportation models as well as the national water and transportation models. We present modeling results and sensitivity analysis indicating critical choke points, negative and positive feedback loops in the system. A general scenario is also analyzed where the potable water system responds to a generic disruption.

  1. Dynamic Recrystallization Behavior and Critical Conditions of SiCp/A1-Cu Composite

    Directory of Open Access Journals (Sweden)

    HAO Shiming

    2017-08-01

    Full Text Available Using the Gleeble-1500D simulator, the high temperature plastic deformation behavior of 40%SiCP/Al-Cu composite were investigated at 350-500℃ with the strain rate of 0.01-10 s-1. The stress-strain curves were obtained during the tests. The critical conditions of dynamic recrystallization for onset of DRX during deformation of 40%SiCP/Al-Cu composite was obtained by computation of the strain hardening rate (θ from initial stress-strain data and introduction of the inflection point criterion of ln θ-ε curves and the minimum value criterion of (-∂(ln θ/∂ε-ε curves. The results indicate that the softening mechanism of the dynamic recrystallization is a feature of high-temperature flow stress strain curves of the composites, and the peak stress increases with the decrease of deformation temperature or the increase of strain rate. The inflection point in the ln θ-ε curve appears, and the minimum value of the (-∂(ln θ/∂ε-ε curve is presented when the critical state is attained for this composite. The critical strain decreases with the decrease of strain rate and the increase of deformation temperature. There is linear relationship between critical strain and peak strain, i.e. εc=0.528εp. The predicting model of critical strain is described by the function of εc=4.58×10-3Z0.09. Electron microscopic analysis show that the dynamic recrystallization occurs when the strain is 0.06 (T=400℃, ε=10 s-1, and the dynamic recrystallization grains fully grow up when the strain is 0.2.

  2. 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.

  3. Thermal dynamics of silver clusters grown on rippled silica surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bhatnagar, Mukul, E-mail: mkbh10@gmail.com [FCIPT, Institute for Plasma Research, Gandhinagar, Gujarat (India); Nirma University, Ahmedabad, Gujarat (India); Ranjan, Mukesh [FCIPT, Institute for Plasma Research, Gandhinagar, Gujarat (India); Nirma University, Ahmedabad, Gujarat (India); Jolley, Kenny; Lloyd, Adam; Smith, Roger [Dept. of Mathematical Sciences, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Mukherjee, Subroto [FCIPT, Institute for Plasma Research, Gandhinagar, Gujarat (India); Nirma University, Ahmedabad, Gujarat (India)

    2017-02-15

    Highlights: • Low energy oblique angle ion bombardment forms ripple pattern on silicon surface. • The ripple patterns have wavelengths between 20 and 45 nm and correspondingly low height. • Silver nanoparticles have been deposited at an angle of 70° on patterned silicon templates. • The as-deposited np are annealed in vacuo at temperature of 573 K for a time duration of 1 h. • MD simulation is used to model the process and compare the results to the experiment. • Results show that silver clusters grow preferentially along parallel to the rippled surface. • Mobility of silver atoms depends on the site to which they are bonded on this amorphous surface. • MD simulations show contour ordered coalescence which is dependent on ripple periodicity. - Abstract: Silver nanoparticles have been deposited on silicon rippled patterned templates at an angle of incidence of 70° to the surface normal. The templates are produced by oblique incidence argon ion bombardment and as the fluence increases, the periods and heights of the structures increase. Structures with periods of 20 nm, 35 nm and 45 nm have been produced. Moderate temperature vacuum annealing shows the phenomenon of cluster coalescence following the contour of the more exposed faces of the ripple for the case of 35 nm and 45 nm but not at 20 nm where the silver aggregates into larger randomly distributed clusters. In order to understand this effect, the morphological changes of silver nanoparticles deposited on an asymmetric rippled silica surface are investigated through the use of molecular dynamics simulations for different deposition angles of incidence between 0° and 70° and annealing temperatures between 500 K and 900 K. Near to normal incidence, clusters are observed to migrate over the entire surface but for deposition at 70°, a similar patterning is observed as in the experiment. The random distribution of clusters for the periodicity ≈ of 20 nm is linked to the geometry of the silica

  4. 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

  5. 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...

  6. 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.

  7. Critical current densities and vortex dynamics in FeTexSe1-x single crystals

    International Nuclear Information System (INIS)

    Taen, T.; Tsuchiya, Y.; Nakajima, Y.; Tamegai, T.

    2010-01-01

    The critical current density and the normalized relaxation rate are reported in FeTe 0.59 Se 0.41 single crystal. Critical current density is of order of 10 5 A/cm 2 , which is comparable to that in Co-doped BaFe 2 As 2 . In low temperature and low field region, the vortex dynamics of this system is well defined by the collective creep theory, which is quite similar to Co-doped BaFe 2 As 2 reported before. We also discuss the origin of the anomaly in the field dependence of the relaxation rate.

  8. 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.

  9. 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.

  10. Predicting critical transitions in dynamical systems from time series using nonstationary probability density modeling.

    Science.gov (United States)

    Kwasniok, Frank

    2013-11-01

    A time series analysis method for predicting the probability density of a dynamical system is proposed. A nonstationary parametric model of the probability density is estimated from data within a maximum likelihood framework and then extrapolated to forecast the future probability density and explore the system for critical transitions or tipping points. A full systematic account of parameter uncertainty is taken. The technique is generic, independent of the underlying dynamics of the system. The method is verified on simulated data and then applied to prediction of Arctic sea-ice extent.

  11. Dynamical simulation of a linear sigma model near the critical point

    Energy Technology Data Exchange (ETDEWEB)

    Wesp, Christian; Meistrenko, Alex; Greiner, Carsten [Institut fuer Theoretische Physik, Goethe-Universitaet Frankfurt, Max-von-Laue-Strasse 1, D-60438 Frankfurt (Germany); Hees, Hendrik van [Frankfurt Institute for Advanced Studies, Ruth-Moufang-Strasse 1, D-60438 Frankfurt (Germany)

    2014-07-01

    The intention of this study is the search for signatures of the chiral phase transition. To investigate the impact of fluctuations, e.g. of the baryon number, on the transition or a critical point, the linear sigma model is treated in a dynamical 3+1D numerical simulation. Chiral fields are approximated as classical fields, quarks are described by quasi particles in a Vlasov equation. Additional dynamic is implemented by quark-quark and quark-sigma-field interaction. For a consistent description of field-particle interactions, a new Monte-Carlo-Langevin-like formalism has been developed and is discussed.

  12. 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.

  13. Immobilizing live Escherichia coli for AFM studies of surface dynamics

    International Nuclear Information System (INIS)

    Lonergan, N.E.; Britt, L.D.; Sullivan, C.J.

    2014-01-01

    Atomic force microscopy (AFM) is a probe-based technique that permits high resolution imaging of live bacterial cells. However, stably immobilizing cells to withstand the probe-based lateral forces remains an obstacle in AFM mediated studies, especially those of live, rod shaped bacteria in nutrient media. Consequently, AFM has been under-utilized in the research of bacterial surface dynamics. The aim of the current study was to immobilize a less adherent Escherichia coli strain in a method that both facilitates AFM imaging in nutrient broth and preserves overall cell viability. Immobilization reagents and buffers were systematically evaluated and the cell membrane integrity was monitored in all sample preparations. As expected, the biocompatible gelatin coated surfaces facilitated stable cell attachment in lower ionic strength buffers, yet poorly immobilized cells in higher ionic strength buffers. In comparison, poly-L-lysine surfaces bound cells in both low and high ionic strength buffers. The benefit of the poly-L-lysine binding capacity was offset by the compromised membrane integrity exhibited by cells on poly-L-lysine surfaces. However, the addition of divalent cations and glucose to the immobilization buffer was found to mitigate this unfavorable effect. Ultimately, immobilization of E. coli cells on poly-L-lysine surfaces in a lower ionic strength buffer supplemented with Mg 2+ and Ca 2+ was determined to provide optimal cell attachment without compromising the overall cell viability. Cells immobilized in this method were stably imaged in media through multiple division cycles. Furthermore, permeability assays indicated that E. coli cells recover from the hypoosmotic stress caused by immobilization in low ionic strength buffers. Taken together, this data suggests that stable immobilization of viable cells on poly-L-lysine surfaces can be accomplished in lower ionic strength buffers that are supplemented with divalent cations for membrane stabilization while

  14. Simulation Based Exploration of Critical Zone Dynamics in Intensively Managed Landscapes

    Science.gov (United States)

    Kumar, P.

    2017-12-01

    The advent of high-resolution measurements of topographic and (vertical) vegetation features using areal LiDAR are enabling us to resolve micro-scale ( 1m) landscape structural characteristics over large areas. Availability of hyperspectral measurements is further augmenting these LiDAR data by enabling the biogeochemical characterization of vegetation and soils at unprecedented spatial resolutions ( 1-10m). Such data have opened up novel opportunities for modeling Critical Zone processes and exploring questions that were not possible before. We show how an integrated 3-D model at 1m grid resolution can enable us to resolve micro-topographic and ecological dynamics and their control on hydrologic and biogeochemical processes over large areas. We address the computational challenge of such detailed modeling by exploiting hybrid CPU and GPU computing technologies. We show results of moisture, biogeochemical, and vegetation dynamics from studies in the Critical Zone Observatory for Intensively managed Landscapes (IMLCZO) in the Midwestern United States.

  15. A power law of order 1/4 for critical mean field Swendsen-Wang dynamics

    CERN Document Server

    Long, Yun; Ning, Weiyang; Peres, Yuval

    2014-01-01

    The Swendsen-Wang dynamics is a Markov chain widely used by physicists to sample from the Boltzmann-Gibbs distribution of the Ising model. Cooper, Dyer, Frieze and Rue proved that on the complete graph K_n the mixing time of the chain is at most O(\\sqrt{n}) for all non-critical temperatures. In this paper the authors show that the mixing time is \\Theta(1) in high temperatures, \\Theta(\\log n) in low temperatures and \\Theta(n^{1/4}) at criticality. They also provide an upper bound of O(\\log n) for Swendsen-Wang dynamics for the q-state ferromagnetic Potts model on any tree of n vertices.

  16. Relative criterion for validity of a semiclassical approach to the dynamics near quantum critical points.

    Science.gov (United States)

    Wang, Qian; Qin, Pinquan; Wang, Wen-ge

    2015-10-01

    Based on an analysis of Feynman's path integral formulation of the propagator, a relative criterion is proposed for validity of a semiclassical approach to the dynamics near critical points in a class of systems undergoing quantum phase transitions. It is given by an effective Planck constant, in the relative sense that a smaller effective Planck constant implies better performance of the semiclassical approach. Numerical tests of this relative criterion are given in the XY model and in the Dicke model.

  17. Analysis of critical neutron- scattering data from iron and dynamical scaling theory

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage

    1970-01-01

    Experimental three- axis spectrometer data of critical neutron- scattering data from Fe are reanalyzed and compared with the recent theoretical prediction by P. Resibois and C. Piette. The reason why the spin- diffusion parameter did not obey the prediction of dynamical scaling theory is indicated....... Double- axis spectrometer data have previously been interpreted in terms of a non- Lorentzian susceptibility. It is shown that with proper corrections for the inelasticity of the scattering the data are consistent with a Lorentzian form of susceptibility....

  18. Dynamical effects and the critical behavior of random-field systems (invited)

    International Nuclear Information System (INIS)

    Shapir, Y.

    1985-01-01

    A variety of phenomena is observed experimentally in random-field (RF) systems realized by the application of an external field to diluted antiferromagnets. At low temperatures, infinitely long hysteretic effects are manifested by the history dependence of the final states: long-range order is observed if the field is applied after cooling, while domain states are reached when field cooled. While no indications for critical fluctuations are detected in 2-D systems, scaling behavior, for both the correlation length and the specific heat, is observed in 3-D systems over an intermediate range of temperatures. The related critical properties seem to be well described by the corresponding ones in the 2-D pure Ising model. The renormalization-group approach, which yields for the equilibrium critical exponents their values of the pure model in d-2 dimensions, is reviewed. A generalization of the dimensional-reduction approach, which accounts self-consistently for renormalized responses of the RF system, is presented. The dynamical effects are implicitly incorporated through the variation in the critical response between the local and the global regimes, associated with short- and long-time scales, respectively. In both regimes the lower critical dimension is found to be d = 2 in accordance with stability arguments. The short-time critical behavior indicates a dimensional reduction by one for the 3-D thermal exponents, in agreement with the experimental results

  19. Dynamical effects and the critical behavior of random-field systems

    International Nuclear Information System (INIS)

    Shapir, Y.

    1985-01-01

    A variety of phenomena is observed experimentally in random-field (RF) systems realized by the application of an external field to diluted antiferromagnets. At low temperatures, infinitely long hysteretic effects are manifested by the history dependence of the final states: long-range order is observed if the field is applied after cooling, while domain states are reached when field cooled. While no indications for critical fluctuations are detected in 2-D systems, scaling behavior, for both the correlation length and the specific heat, is observed in 3-D systems over an intermediate range of temperatures. The related critical properties seem to be well described by the corresponding ones in the 2-D pure Ising model. The renormalization-group approach, which yields for the equilibrium critical exponents their values of the pure model in d-2 dimensions, is reviewed. A generalization of the dimensional-reduction approach, which accounts self-consistently for renormalized responses of the RF system, is presented. The dynamical effects are implicitly incorporated through the variation in the critical response between the local and the global regimes, associated with short- and long-time scales, respectively. In both regimes the lower critical dimension is found to be d = 2 in accordance with stability arguments. The short-time critical behavior indicates a dimensional reduction by one for the 3-D thermal exponents, in agreement with the experimental results. 37 references

  20. Nano hydroxyapatite-blasted titanium surface affects pre-osteoblast morphology by modulating critical intracellular pathways.

    Science.gov (United States)

    Bezerra, Fábio; Ferreira, Marcel R; Fontes, Giselle N; da Costa Fernandes, Célio Jr; Andia, Denise C; Cruz, Nilson C; da Silva, Rodrigo A; Zambuzzi, Willian F

    2017-08-01

    Although, intracellular signaling pathways are proposed to predict the quality of cell-surface relationship, this study addressed pre-osteoblast behavior in response to nano hydroxyapatite (HA)-blasted titanium (Ti) surface by exploring critical intracellular pathways and pre-osteoblast morphological change. Physicochemical properties were evaluated by atomic force microscopy (AFM) and wettability considering water contact angle of three differently texturized Ti surfaces: Machined (Mac), Dual acid-etching (DAE), and nano hydroxyapatite-blasted (nHA). The results revealed critical differences in surface topography, impacting the water contact angle and later the osteoblast performance. In order to evaluate the effect of those topographical characteristics on biological responses, we have seeded pre-osteoblast cells on the Ti discs for up to 4 h and subjected the cultures to biological analysis. First, we have observed pre-osteoblasts morphological changes resulting from the interaction with the Ti texturized surfaces whereas the cells cultured on nHA presented a more advanced spreading process when compared with the cells cultured on the other surfaces. These results argued us for analyzing the molecular machinery and thus, we have shown that nHA promoted a lower Bax/Bcl2 ratio, suggesting an interesting anti-apoptotic effect, maybe explained by the fact that HA is a natural element present in bone composition. Thereafter, we investigated the potential effect of those surfaces on promoting pre-osteoblast adhesion and survival signaling by performing crystal violet and immunoblotting approaches, respectively. Our results showed that nHA promoted a higher pre-osteoblast adhesion supported by up-modulating FAK and Src activations, both signaling transducers involved during eukaryotic cell adhesion. Also, we have shown Ras-Erk stimulation by the all evaluated surfaces. Finally, we showed that all Ti-texturing surfaces were able to promote osteoblast differentiation

  1. The surface energy, thermal vibrations of dislocation lines and the critical crack extension force

    International Nuclear Information System (INIS)

    Chiang, Chien.

    1979-09-01

    The connections between atomic structure and mechanical properties of metals are interested by many physicist and mechanists recently. The authors of this paper try to connect the fracture of materials with the surface energy and dislocation properties, which may be treated with lattice dynamics and electron theory of solids. It shows that to combine the knowledge of solid state physics and fracture mechanics is quite important. (author)

  2. 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.

  3. Dynamic critical phenomena in two-dimensional fully frustrated Coulomb gas model with disorder

    International Nuclear Information System (INIS)

    Zhang Wei; Luo Mengbo

    2008-01-01

    The dynamic critical phenomena near depinning transition in two-dimensional fully frustrated square lattice Coulomb gas model with disorders was studied using Monte Carlo technique. The ground state of the model system with disorder σ=0.3 is a disordered state. The dependence of charge current density J on electric field E was investigated at low temperatures. The nonlinear J-E behavior near critical depinning field can be described by a scaling function proposed for three-dimensional flux line system [M.B. Luo, X. Hu, Phys. Rev. Lett. 98 (2007) 267002]. We evaluated critical exponents and found an Arrhenius creep motion for field region E c /2 c . The scaling law of the depinning transition is also obtained from the scaling function

  4. Adaptive Dynamic Surface Control for Generator Excitation Control System

    Directory of Open Access Journals (Sweden)

    Zhang Xiu-yu

    2014-01-01

    Full Text Available For the generator excitation control system which is equipped with static var compensator (SVC and unknown parameters, a novel adaptive dynamic surface control scheme is proposed based on neural network and tracking error transformed function with the following features: (1 the transformation of the excitation generator model to the linear systems is omitted; (2 the prespecified performance of the tracking error can be guaranteed by combining with the tracking error transformed function; (3 the computational burden is greatly reduced by estimating the norm of the weighted vector of neural network instead of the weighted vector itself; therefore, it is more suitable for the real time control; and (4 the explosion of complicity problem inherent in the backstepping control can be eliminated. It is proved that the new scheme can make the system semiglobally uniformly ultimately bounded. Simulation results show the effectiveness of this control scheme.

  5. Optimizing critical heat flux enhancement through nano-particle-based surface modifications

    International Nuclear Information System (INIS)

    Truong, B.; Hu, L. W.; Buongiorno, J.

    2008-01-01

    Colloidal dispersions of nano-particles, also known as nano-fluids, have shown to yield significant Critical Heat Flux (CHF) enhancement. The CHF enhancement mechanism in nano-fluids is due to the buildup of a porous layer of nano-particles upon boiling. Unlike microporous coatings that had been studied extensively, nano-particles have the advantages of forming a thin layer on the substrate with surface roughness ranges from the sub-micron to several microns. By tuning the chemical properties it is possible to coat the nano-particles in colloidal dispersions onto the desired surface, as has been demonstrated in engineering thin film industry. Building on recent work conducted at MIT, this paper illustrates the maximum CHF enhancement that can be achieved based on existing correlations. Optimization of the CHF enhancement by incorporation of key factors, such as the surface wettability and roughness, will also be discussed. (authors)

  6. The influence of the radiation pressure force on possible critical surfaces in binary systems

    International Nuclear Information System (INIS)

    Vanbeveren, D.

    1978-01-01

    Using a spherically symmetric approximation for the radiation pressure force to compute a possible critical surface for binary systems, previous authors found that the surface opens up at the far side of the companion. It is shown that this effect may be unreal, and could be a consequence of the simple approximation for the radiation pressure force, Due to the influence of the radiation force, mass will be lost over the whole surface of the star. In that way much mass could leave the system in massive binary systems. On the basis of evolutionary models, including mass loss by stellar wind, the results were applied on the X-ray binaries 3U 1700 - 37 and HD 77581. (Auth.)

  7. Neutralized wettability effect of superhydrophilic Cr-layered surface on pool boiling critical heat flux

    International Nuclear Information System (INIS)

    Son, Hong Hyun; Jeong, Ui Ju; Seo, Gwang Hyeok; Jeun, Gyoo Dong; Kim, Sung Joong

    2016-01-01

    The former method is deemed challenging due to longer development period and license issue. In this regard, FeCrAl, Cr, and SiC have been received positive attention as ATF coating materials because they are highly resistant to high temperature steam reaction causing massive hydrogen generation. In this study, Cr was selected as a target deposition material on the metal substrate because we found that Cr-layered surface becomes superhydrophilic, favorable to delaying the triggering of the critical heat flux (CHF). Thus in order to investigate the effect of Cr-layered superhydrophilic surfaces (under explored coating conditions) on pool boiling heat transfer, pool boiling experiment was conducted in the saturated deionized water under atmospheric pressure. As a physical vapor deposition (PVD) method, the DC magnetron sputtering technique was introduced to develop Cr-layered nanostructure. As a control variable of DC sputtering, substrate temperature was selected. Surface wettability and nanostructure were analyzed as major surface parameters on the CHF. We believe that highly dense micro/nano structure without nucleation cavities and inner pores neutralized the wettability effect on the CHF. Moreover, superhydrophilic surface with deficient cavity density rather hinders active nucleation. This emphasizes the importance of micro/nano structure surface for enhanced boiling heat transfer.

  8. 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

  9. A novel reformulation of the Theory of Critical Distances to design notched metals against dynamic loading

    International Nuclear Information System (INIS)

    Yin, T.; Tyas, A.; Plekhov, O.; Terekhina, A.; Susmel, L.

    2015-01-01

    Highlights: • The proposed method is successful in estimating dynamic strength of metals. • The critical distance varies as the loading/strain/displacement rate increases. • The reference strength varies as the loading/strain/displacement rate increases. • This method is recommended to be used with safety factors larger than 1.25. - Abstract: In the present study the linear-elastic Theory of Critical Distances (TCD) is reformulated to make it suitable for predicting the strength of notched metallic materials subjected to dynamic loading. The accuracy and reliability of the proposed reformulation of the TCD was checked against a number of experimental results generated by testing, under different loading/strain rates, notched cylindrical samples of aluminium alloy 6063-T5, titanium alloy Ti–6Al–4V, aluminium alloy AlMg6, and an AlMn alloy. To further validate the proposed design method also different data sets taken from the literature were considered. Such an extensive validation exercise allowed us to prove that the proposed reformulation of the TCD is successful in predicting the dynamic strength of notched metallic materials, this approach proving to be capable of estimates falling within an error interval of ±20%. Such a high level of accuracy is certainly remarkable, especially in light of the fact that it was reached without the need for explicitly modelling the stress vs. strain dynamic behaviour of the investigated ductile metals

  10. Molecular Dynamics Studies of Overbased Detergents on a Water Surface.

    Science.gov (United States)

    Bodnarchuk, M S; Dini, D; Heyes, D M; Breakspear, A; Chahine, S

    2017-07-25

    Molecular dynamics (MD) simulations are reported of model overbased detergent nanoparticles on a model water surface which mimic their behavior on a Langmuir trough or large water droplet in engine oil. The simulations predict that the structure of the nanoparticle on a water surface is different to when it is immersed in a bulk hydrophobic solvent. The surfactant tails are partly directed out of the water, while the carbonate core maximizes its extent of contact with the water. Umbrella sampling calculations of the potential of mean force between two particles showed that they are associated with varying degrees with a maximum binding free energy of ca. 10 k B T for the salicylate stabilized particle, ca. 8 k B T for a sulfurized alkyl phenate stabilized particle, and ca. 5 k B T for a sulfonate stabilized particle. The differences in the strength of attraction depend on the proximity of nearest approach and the energy penalty associated with the disruption of the hydration shell of water molecules around the calcium carbonate core when the two particles approach. This is greatest for the sulfonate particle, which partially loses the surfactant ions to the solution, and least for the salicylate, which forms the weakest water "cage". The particles are separated by a water hydration layer, even at the point of closest approach.

  11. Movement, demographics, and occupancy dynamics of a federally-threatened salamander: evaluating the adequacy of critical habitat

    Directory of Open Access Journals (Sweden)

    Nathan F. Bendik

    2016-03-01

    Full Text Available Critical habitat for many species is often limited to occupied localities. For rare and cryptic species, or those lacking sufficient data, occupied habitats may go unrecognized, potentially hindering species recovery. Proposed critical habitat for the aquatic Jollyville Plateau salamander (Eurycea tonkawae and two sister species were delineated based on the assumption that surface habitat is restricted to springs and excludes intervening stream reaches. To test this assumption, we performed two studies to understand aspects of individual, population, and metapopulation ecology of E. tonkawae. First, we examined movement and population demographics using capture-recapture along a spring-influenced stream reach. We then extended our investigation of stream habitat use with a study of occupancy and habitat dynamics in multiple headwater streams. Indications of extensive stream channel use based on capture-recapture results included frequent movements of >15 m, and high juvenile abundance downstream of the spring. Initial occupancy of E. tonkawae was associated with shallow depths, maidenhair fern presence and low temperature variation (indicative of groundwater influence, although many occupied sites were far from known springs. Additionally, previously dry sites were three times more likely to be colonized than wet sites. Our results indicate extensive use of stream habitats, including intermittent ones, by E. tonkawae. These areas may be important for maintaining population connectivity or even as primary habitat patches. Restricting critical habitat to occupied sites will result in a mismatch with actual habitat use, particularly when assumptions of habitat use are untested, thus limiting the potential for recovery.

  12. 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

  13. The dynamics of nucleation and growth of a particle in the ternary alloy melt with anisotropic surface tension.

    Science.gov (United States)

    Chen, Ming-Wen; Li, Lin-Yan; Guo, Hui-Min

    2017-08-28

    The dynamics of nucleation and growth of a particle affected by anisotropic surface tension in the ternary alloy melt is studied. The uniformly valid asymptotic solution for temperature field, concentration field, and interface evolution of nucleation and particle growth is obtained by means of the multiple variable expansion method. The asymptotic solution reveals the critical radius of nucleation in the ternary alloy melt and an inward melting mechanism of the particle induced by the anisotropic effect of surface tension. The critical radius of nucleation is dependent on isotropic surface tension, temperature undercooling, and constitutional undercooling in the ternary alloy melt, and the solute diffusion melt decreases the critical radius of nucleation. Immediately after a nucleus forms in the initial stage of solidification, the anisotropic effect of surface tension makes some parts of its interface grow inward while some parts grow outward. Until the inward melting attains a certain distance (which is defined as "the melting depth"), these parts of interface start to grow outward with other parts. The interface of the particle evolves into an ear-like deformation, whose inner diameter may be less than two times the critical radius of nucleation within a short time in the initial stage of solidification. The solute diffusion in the ternary alloy melt decreases the effect of anisotropic surface tension on the interface deformation.

  14. Correlation between the critical heat flux and the fractal surface roughness of zirconium alloy tubes

    International Nuclear Information System (INIS)

    Fong, R.W.L.; McRae, G.A.; Coleman, C.E.; Nitheanandan, T.; Sanderson, D.B.

    1999-10-01

    In CANDU fuel channels, Zircaloy calandria tubes isolate the hot pressure tubes from the cool heavy water moderator. The heavy-water moderator provides a backup heat sink during some postulated loss-of-coolant accidents. The decay heat from the fuel is transferred to the moderator to ensure fuel channel integrity during emergencies. Moderator temperature requirements are specified to ensure that the transfer of decay heat does not exceed the critical heat flux (CHF) on the outside surface of the calandria tube. An enhanced CHF provides increases in safety margin. Pool boiling experiments indicate the CHF is enhanced with glass-peening of the outside surface of the calandria tubes. The objective of this study was to evaluate the surface characteristics of glass-peened tubes and relate these characteristics to CHF. The micro-topologies of the tube surfaces were analysed using stereo-pair micrographs obtained from scanning electron microscopy (SEM) and photogrammetry techniques. A linear relationship correlated the CHF as a function of the 'fractal' surface roughness of the tubes. (author)

  15. Making the most of CZ seismics: Improving shallow critical zone characterization using surface-wave analysis

    Science.gov (United States)

    Pasquet, S.; Wang, W.; Holbrook, W. S.; Bodet, L.; Carr, B.; Flinchum, B. A.

    2017-12-01

    Estimating porosity and saturation in the shallow subsurface over large lateral scales is vitally important for understanding the development and evolution of the Critical Zone (CZ). Because elastic properties (P- and S-wave velocities) are particularly sensitive to porosity and saturation, seismic methods (in combination with petrophysical models) are effective tools for mapping CZ architecture and processes. While many studies employ P-wave refraction methods, fewer use the surface waves that are typically also recorded in those same surveys. Here we show the value of exploiting surface waves to extract supplementary shear-wave velocity (Vs) information in the CZ. We use a new, user-friendly, open-source MATLAB-based package (SWIP) to invert surface-wave data and estimate lateral variations of Vs in the CZ. Results from synthetics show that this approach enables the resolution of physical property variations in the upper 10-15 m below the surface with lateral scales of about 5 m - a vast improvement compared to P-wave tomography alone. A field example at a Yellowstone hydrothermal system also demonstrates the benefits of including Vs in the petrophysical models to estimate not only porosity but also saturation, thus highlighting subsurface gas pathways. In light of these results, we strongly suggest that surface-wave analysis should become a standard approach in CZ seismic surveys.

  16. The dynamics of marginality and self-organized criticality as a paradigm for turbulent transport

    International Nuclear Information System (INIS)

    Newman, D.E.; Carreras, B.A.; Diamond, P.H.; Hahm, T.S.

    1995-01-01

    A general paradigm, based on the concept of self-organized criticality (SOC), for turbulent transport in magnetically confined plasmas has been recently suggested as an explanation for some of the apparent discrepancies between most theoretical models of turbulent transport and experimental observations of the transport in magnetically confined plasmas. This model describes the dynamics of the transport without relying on the underlying local fluctuation mechanisms. Computations based on a cellular automata realization of such a model have found that noise driven SOC systems can maintain average profiles that are linearly stable (submarginal) and yet are able to sustain active transport dynamics. It is also found that the dominant scales in the transport dynamics in the absence of sheared flow are system scales rather than the underlying local fluctuation scales. The addition of sheared flow into the dynamics leads to a large reduction of the system-scale transport events and a commensurate increase in the fluctuation-scale transport events needed to maintain the constant flux. The dynamics of these models and the potential ramifications for transport studies are discussed

  17. Pool boiling characteristics and critical heat flux mechanisms of microporous surfaces and enhancement through structural modification

    Science.gov (United States)

    Ha, Minseok; Graham, Samuel

    2017-08-01

    Experimental studies have shown that microporous surfaces induce one of the highest enhancements in critical heat flux (CHF) during pool boiling. However, microporous surfaces may also induce a very large surface superheat (>100 °C) which is not desirable for applications such as microelectronics cooling. While the understanding of the CHF mechanism is the key to enhancing boiling heat transfer, a comprehensive understanding is not yet available. So far, three different theories for the CHF of microporous surfaces have been suggested: viscous-capillary model, hydrodynamic instability model, and dryout of the porous coatings. In general, all three theories account for some aspects of boiling phenomena. In this study, the theories are examined through their correlations with experimental data on microporous surfaces during pool boiling using deionized (DI) water. It was found that the modulation of the vapor-jet through the pore network enables a higher CHF than that of a flat surface based on the hydrodynamic instability theory. In addition, it was found that as the heat flux increases, a vapor layer grows in the porous coatings described by a simple thermal resistance model which is responsible for the large surface superheat. Once the vapor layer grows to fill the microporous structure, transition to film boiling occurs and CHF is reached. By disrupting the formation of this vapor layer through the fabrication of channels to allow vapor escape, an enhancement in the CHF and heat transfer coefficient was observed, allowing CHF greater than 3500 kW/m2 at a superheat less than 50 °C.

  18. SACS2: Dynamic and Formal Safety Analysis Method for Complex Safety Critical System

    International Nuclear Information System (INIS)

    Koh, Kwang Yong; Seong, Poong Hyun

    2009-01-01

    Fault tree analysis (FTA) is one of the most widely used safety analysis technique in the development of safety critical systems. However, over the years, several drawbacks of the conventional FTA have become apparent. One major drawback is that conventional FTA uses only static gates and hence can not capture dynamic behaviors of the complex system precisely. Although several attempts such as dynamic fault tree (DFT), PANDORA, formal fault tree (FFT) and so on, have been made to overcome this problem, they can not still do absolute or actual time modeling because they adapt relative time concept and can capture only sequential behaviors of the system. Second drawback of conventional FTA is its lack of rigorous semantics. Because it is informal in nature, safety analysis results heavily depend on an analyst's ability and are error-prone. Finally reasoning process which is to check whether basic events really cause top events is done manually and hence very labor-intensive and timeconsuming for the complex systems. In this paper, we propose a new safety analysis method for complex safety critical system in qualitative manner. We introduce several temporal gates based on timed computational tree logic (TCTL) which can represent quantitative notion of time. Then, we translate the information of the fault trees into UPPAAL query language and the reasoning process is automatically done by UPPAAL which is the model checker for time critical system

  19. An efficient search method for finding the critical slip surface using the compositional Monte Carlo technique

    International Nuclear Information System (INIS)

    Goshtasbi, K.; Ahmadi, M; Naeimi, Y.

    2008-01-01

    Locating the critical slip surface and the associated minimum factor of safety are two complementary parts in a slope stability analysis. A large number of computer programs exist to solve slope stability problems. Most of these programs, however, have used inefficient and unreliable search procedures to locate the global minimum factor of safety. This paper presents an efficient and reliable method to determine the global minimum factor of safety coupled with a modified version of the Monte Carlo technique. Examples arc presented to illustrate the reliability of the proposed method

  20. 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.

  1. 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

  2. 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

  3. Near-surface eddy dynamics in the Southern Ocean

    Directory of Open Access Journals (Sweden)

    Marilisa Trani

    2011-12-01

    Full Text Available The Antarctic Circumpolar Current (ACC is a crucial component of the global ocean conveyor belt, acting as a zonal link among the major ocean basins but, to some extent, limiting meridional exchange and tending to isolate the ocean south of it from momentum and heat income. In this work we investigate one of the most important mechanisms contributing to the poleward transfer of properties in the Southern Ocean, that is the eddy component of the dynamics. For this particular purpose, observations obtained from near-surface drifters have been used: they represent a very useful data set to analyse the eddy field because of their ability to catch a large number of scales of motion while providing a quasi-synoptic coverage of the investigated area. Estimates of the eddy heat and momentum fluxes are carried out using data taken from the Global Drifter Program databank; they refer to Surface Velocity Program drifter trajectories collected in the area south of 35°S between 1995 and 2006. Eddy kinetic energies, variance ellipses, momentum and heat fluxes have been calculated using the pseudo-Eulerian method, showing patterns in good agreement with those present in the literature based on observational and model data, although there are some quantitative differences. The eddy fluxes have been separated into their rotational and divergent portions, the latter being responsible for the meridional transports. The associated zonal and depth-exponentially integrated meridional heat transport exhibits values spanning over a range between -0.4 PW and –1.1 PW in the ACC region, consistent with previous estimates.

  4. Approximate critical surface of the bond-mixed square-lattice Ising model

    International Nuclear Information System (INIS)

    Levy, S.V.F.; Tsallis, C.; Curado, E.M.F.

    1979-09-01

    The critical surface of the quenched bond-mixed square-lattice spin-1/2 first-neighbour-interaction ferromagnetic Ising model (with exchange interactions J 1 and J 2 ) has been investigated. Through renormalization group and heuristical procedures, a very accurate (error inferior to 3x10 -4 in the variables t sub(i) = th (J sub(i)/k sub(b)T)) approximate numerical proposal for all points of this surface is presented. This proposal simultaneously satisfies all the available exact results concerning the surface, namely P sub(c) = 1/2, t sub(c) = √2 - 1, both limiting slopes in these points, and t 2 = (1-t 1 )/(1+t 1 ) for p = 1/2. Furthemore an analytic approximation (namely (1 - p) 1n(1 + t 1 ) + p 1n(1 + t 2 ) =(1/2)1n 2) is also proposed. In what concerns the available exact results, it only fails in reproducing one of the two limiting slopes, where there is an error of 1% in the derivative: these facts result in an estimated error less than 10 -3 (in the t-variables) for any points in the surface. (Author) [pt

  5. External Thermal Insulation Composite Systems: Critical Parameters for Surface Hygrothermal Behaviour

    Directory of Open Access Journals (Sweden)

    Eva Barreira

    2014-01-01

    Full Text Available External Thermal Insulation Composite Systems (ETICS are often used in Europe. Despite its thermal advantages, low cost, and ease of application, this system has serious problems of biological growth causing the cladding defacement. Recent studies pointed that biological growth is due to high values of surface moisture content, which mostly results from the combined effect of exterior surface condensation, wind-driven rain, and drying process. Based on numerical simulation, this paper points the most critical parameters involved in hygrothermal behaviour of ETICS, considering the influence of thermal and hygric properties of the external rendering, the effect of the characteristics of the façade, and the consequences of the exterior and interior climate on exterior surface condensation, wind-driven rain, and drying process. The model used was previously validated by comparison with the results of an “in situ” campaign. The results of the sensitivity analyses show that relative humidity and temperature of the exterior air, atmospheric radiation, and emissivity of the exterior rendering are the parameters that most influence exterior surface condensation. Wind-driven rain depends mostly on horizontal rain, building’s height, wind velocity, and orientation. The drying capacity is influenced by short-wave absorbance, incident solar radiation, and orientation.

  6. An analysis of critical heat flux on the external surface of the reactor vessel lower head

    International Nuclear Information System (INIS)

    Yang, Soo Hyung; Baek, Won Pil; Chang, Soon Heung

    1999-01-01

    CHF (Critical heat flux) on the external surface of the reactor vessel lower head is major key in the evaluation on the feasibility of IVR-EVC (In-Vessel Retention through External Vessel Cooling) concept. To identify the CHF on the external surface, considerable works have been performed. Through the review on the previous works related to the CHF on the external surface, liquid subcooling, induced flow along the external surface, ICI (In-Core Instrument) nozzle and minimum gap are identified as major parameters. According to the present analysis, the effects of the ICI nozzle and minimum gap on CHF are pronounced at the upstream of test vessel: on the other hand, the induced flow considerably affects the CHF at downstream of test vessel. In addition, the subcooling effect is shown at all of test vessel, and decreases with the increase in the elevation of test vessel. In the real application of the IVR-EVC concept, vertical position is known as a limiting position, at which thermal margin is the minimum. So, it is very important to precisely predict the CHF at vertical position in a viewpoint of gaining more thermal margins. However, the effects of the liquid subcooling and induced flow do not seem to be adequately included in the CHF correlations suggested by previous works, especially at the downstream positions

  7. A novel critical infrastructure resilience assessment approach using dynamic Bayesian networks

    Science.gov (United States)

    Cai, Baoping; Xie, Min; Liu, Yonghong; Liu, Yiliu; Ji, Renjie; Feng, Qiang

    2017-10-01

    The word resilience originally originates from the Latin word "resiliere", which means to "bounce back". The concept has been used in various fields, such as ecology, economics, psychology, and society, with different definitions. In the field of critical infrastructure, although some resilience metrics are proposed, they are totally different from each other, which are determined by the performances of the objects of evaluation. Here we bridge the gap by developing a universal critical infrastructure resilience metric from the perspective of reliability engineering. A dynamic Bayesian networks-based assessment approach is proposed to calculate the resilience value. A series, parallel and voting system is used to demonstrate the application of the developed resilience metric and assessment approach.

  8. Classical dynamics of the Abelian Higgs model from the critical point and beyond

    Directory of Open Access Journals (Sweden)

    G.C. Katsimiga

    2015-09-01

    Full Text Available We present two different families of solutions of the U(1-Higgs model in a (1+1 dimensional setting leading to a localization of the gauge field. First we consider a uniform background (the usual vacuum, which corresponds to the fully higgsed-superconducting phase. Then we study the case of a non-uniform background in the form of a domain wall which could be relevantly close to the critical point of the associated spontaneous symmetry breaking. For both cases we obtain approximate analytical nodeless and nodal solutions for the gauge field resulting as bound states of an effective Pöschl–Teller potential created by the scalar field. The two scenaria differ only in the scale of the characteristic localization length. Numerical simulations confirm the validity of the obtained analytical solutions. Additionally we demonstrate how a kink may be used as a mediator driving the dynamics from the critical point and beyond.

  9. Calculations of critical micelle concentration by dissipative particle dynamics simulations: the role of chain rigidity.

    Science.gov (United States)

    Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V

    2013-09-05

    Micelle formation in surfactant solutions is a self-assembly process governed by complex interplay of solvent-mediated interactions between hydrophilic and hydrophobic groups, which are commonly called heads and tails. However, the head-tail repulsion is not the only factor affecting the micelle formation. For the first time, we present a systematic study of the effect of chain rigidity on critical micelle concentration and micelle size, which is performed with the dissipative particle dynamics simulation method. Rigidity of the coarse-grained surfactant molecule was controlled by the harmonic bonds set between the second-neighbor beads. Compared to flexible molecules with the nearest-neighbor bonds being the only type of bonded interactions, rigid molecules exhibited a lower critical micelle concentration and formed larger and better-defined micelles. By varying the strength of head-tail repulsion and the chain rigidity, we constructed two-dimensional diagrams presenting how the critical micelle concentration and aggregation number depend on these parameters. We found that the solutions of flexible and rigid molecules that exhibited approximately the same critical micelle concentration could differ substantially in the micelle size and shape depending on the chain rigidity. With the increase of surfactant concentration, primary micelles of more rigid molecules were found less keen to agglomeration and formation of nonspherical aggregates characteristic of flexible molecules.

  10. Critical Domain Problem for the Reaction–Telegraph Equation Model of Population Dynamics

    Directory of Open Access Journals (Sweden)

    Weam Alharbi

    2018-04-01

    Full Text Available A telegraph equation is believed to be an appropriate model of population dynamics as it accounts for the directional persistence of individual animal movement. Being motivated by the problem of habitat fragmentation, which is known to be a major threat to biodiversity that causes species extinction worldwide, we consider the reaction–telegraph equation (i.e., telegraph equation combined with the population growth on a bounded domain with the goal to establish the conditions of species survival. We first show analytically that, in the case of linear growth, the expression for the domain’s critical size coincides with the critical size of the corresponding reaction–diffusion model. We then consider two biologically relevant cases of nonlinear growth, i.e., the logistic growth and the growth with a strong Allee effect. Using extensive numerical simulations, we show that in both cases the critical domain size of the reaction–telegraph equation is larger than the critical domain size of the reaction–diffusion equation. Finally, we discuss possible modifications of the model in order to enhance the positivity of its solutions.

  11. Water pollution abatement programme. The Czech Republic. Project 4.2. Assessing critical loads of acidity to surface waters in the Czech Republic. Critical loads of acidity to surface waters, north-eastern Bohemia and northern Moravia, The Czech Republic

    Energy Technology Data Exchange (ETDEWEB)

    Lien, L.; Raclavsky, K.; Raclavska, H.; Matysek, D.; Hovind, H.

    1996-01-01

    This report discusses estimates of critical loads of acidity to surface waters and their exceedances, for north-eastern Bohemia and Moravia in The Czech Republic. The survey covers 13 400 km{sup 2}, or 17% of the area of the country. Varying critical loads were observed within the examined region. 19% of the examined area showed exceedance of critical load and another 11% was close to exceedance. The survey should continue in Bohemia. 24 refs., 20 figs., 4 tabs.

  12. 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...

  13. Optodynamics: dynamic aspects of laser beam-surface interaction

    International Nuclear Information System (INIS)

    Možina, J; Diaci, J

    2012-01-01

    This paper presents a synthesis of the results of our original research in the area of laser-material interaction and pulsed laser material processing with a special emphasis on the dynamic aspects of laser beam-surface interaction, which include the links between the laser material removal and the resulting material motion. In view of laser material processing, a laser beam is not only considered as a tool but also as a generator of information about the material transformation. The information is retained and conveyed by different kinds of optically induced mechanical waves. Several generation/detection schemes have been developed to extract this information, especially in the field of non-destructive material evaluation. Blast and acoustic waves, which propagate in the air surrounding the work-piece, have been studied using microphone detection as well as various setups of the laser beam deflection probe. Stress waves propagating through the work-piece have been studied using piezoelectric transducers and laser interferometers.

  14. Nonuniversal critical behaviour in a model for charge density wave dynamics

    International Nuclear Information System (INIS)

    Ritala, R.K.; Hertz, J.A.

    1986-02-01

    We have studied short range fluctuations around the infinite-range model of charge density wave (CDW) dynamics. We find that the inhomogeneity of the local field, which is neglected in the infinite-range approximation has a dramatic effect on the transition. In the Bethe approximation the critical behaviour is nonuniversal. In particular, the current exponent is ζ = 3/2 log(z-1)/[log(z)]+log(1+f/J)], where z is the number of neighbors, f the pinning strength, and J the elastic coupling. (orig.)

  15. Dynamical scaling and critical scattering in pure and disordered ferromagnets probed by NSE

    Energy Technology Data Exchange (ETDEWEB)

    Alba, M. [LLB, CEA-CNRS UMR12, CEA-Saclay, 91191 Gif/Yvette Cedex (France)]. E-mail: michel.alba@cea.fr; Pouget, S. [DRFMC/SPSMS, CEN-Grenoble, 17 rue des Martyrs, 38054 Grenoble (France); Fouquet, P. [ILL, 6 rue Jules Horowitz, 38042 Grenoble (France); Farago, B. [ILL, 6 rue Jules Horowitz, 38042 Grenoble (France); Pappas, C. [Hahn-Meitner Institut, Glienickerstr. 100, 14109 Berlin (Germany)

    2007-07-15

    We have studied the 3D Heisenberg ferromagnetic model system CdCr{sub 2} {sub x} In{sub 2-2} {sub x} S{sub 4} in the ferromagnetic and reentrant phases as a function of temperature and momentum transfer using neutron spin echo (NSE) spectroscopy. The results from the pure sample CdCr{sub 2}S{sub 4} are in excellent agreement with the predictions of the renormalization group theory. In the presence of disorder, we see the evolution from a simple critical ferromagnetic scattering with single fast relaxation times to a more complex slow dynamics characteristic of spin glasses.

  16. A critical oscillation constant as a variable of time scales for half-linear dynamic equations

    Czech Academy of Sciences Publication Activity Database

    Řehák, Pavel

    2010-01-01

    Roč. 60, č. 2 (2010), s. 237-256 ISSN 0139-9918 R&D Projects: GA AV ČR KJB100190701 Institutional research plan: CEZ:AV0Z10190503 Keywords : dynamic equation * time scale * half-linear equation * (non)oscillation criteria * Hille-Nehari criteria * Kneser criteria * critical constant * oscillation constant * Hardy inequality Subject RIV: BA - General Mathematics Impact factor: 0.316, year: 2010 http://link.springer.com/article/10.2478%2Fs12175-010-0009-7

  17. Finite-temperature spin dynamics in a perturbed quantum critical Ising chain with an E₈ symmetry.

    Science.gov (United States)

    Wu, Jianda; Kormos, Márton; Si, Qimiao

    2014-12-12

    A spectrum exhibiting E₈ symmetry is expected to arise when a small longitudinal field is introduced in the transverse-field Ising chain at its quantum critical point. Evidence for this spectrum has recently come from neutron scattering measurements in cobalt niobate, a quasi-one-dimensional Ising ferromagnet. Unlike its zero-temperature counterpart, the finite-temperature dynamics of the model has not yet been determined. We study the dynamical spin structure factor of the model at low frequencies and nonzero temperatures, using the form factor method. Its frequency dependence is singular, but differs from the diffusion form. The temperature dependence of the nuclear magnetic resonance (NMR) relaxation rate has an activated form, whose prefactor we also determine. We propose NMR experiments as a means to further test the applicability of the E₈ description for CoNb₂O₆.

  18. Signals for the QCD phase transition and critical point in a Langevin dynamical model

    International Nuclear Information System (INIS)

    Herold, Christoph; Bleicher, Marcus; Yan, Yu-Peng

    2013-01-01

    The search for the critical point is one of the central issues that will be investigated in the upcoming FAIR project. For a profound theoretical understanding of the expected signals we go beyond thermodynamic studies and present a fully dynamical model for the chiral and deconfinement phase transition in heavy ion collisions. The corresponding order parameters are propagated by Langevin equations of motions on a thermal background provided by a fluid dynamically expanding plasma of quarks. By that we are able to describe nonequilibrium effects occurring during the rapid expansion of a hot fireball. For an evolution through the phase transition the formation of a supercooled phase and its subsequent decay crucially influence the trajectories in the phase diagram and lead to a significant reheating of the quark medium at highest baryon densities. Furthermore, we find inhomogeneous structures with high density domains along the first order transition line within single events.

  19. Dynamic data-driven integrated flare model based on self-organized criticality

    Science.gov (United States)

    Dimitropoulou, M.; Isliker, H.; Vlahos, L.; Georgoulis, M. K.

    2013-05-01

    Context. We interpret solar flares as events originating in active regions that have reached the self-organized critical state. We describe them with a dynamic integrated flare model whose initial conditions and driving mechanism are derived from observations. Aims: We investigate whether well-known scaling laws observed in the distribution functions of characteristic flare parameters are reproduced after the self-organized critical state has been reached. Methods: To investigate whether the distribution functions of total energy, peak energy, and event duration follow the expected scaling laws, we first applied the previously reported static cellular automaton model to a time series of seven solar vector magnetograms of the NOAA active region 8210 recorded by the Imaging Vector Magnetograph on May 1 1998 between 18:59 UT and 23:16 UT until the self-organized critical state was reached. We then evolved the magnetic field between these processed snapshots through spline interpolation, mimicking a natural driver in our dynamic model. We identified magnetic discontinuities that exceeded a threshold in the Laplacian of the magnetic field after each interpolation step. These discontinuities were relaxed in local diffusion events, implemented in the form of cellular automaton evolution rules. Subsequent interpolation and relaxation steps covered all transitions until the end of the processed magnetograms' sequence. We additionally advanced each magnetic configuration that has reached the self-organized critical state (SOC configuration) by the static model until 50 more flares were triggered, applied the dynamic model again to the new sequence, and repeated the same process sufficiently often to generate adequate statistics. Physical requirements, such as the divergence-free condition for the magnetic field, were approximately imposed. Results: We obtain robust power laws in the distribution functions of the modeled flaring events with scaling indices that agree well

  20. 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

  1. 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.

  2. Quantum critical matter. Quantum phase transitions with multiple dynamics and Weyl superconductors

    International Nuclear Information System (INIS)

    Meng, Tobias

    2012-01-01

    In this PhD thesis, the physics of quantum critical matter and exotic quantum state close to quantum phase transitions is investigated. We will focus on three different examples that highlight some of the interesting phenomena related to quantum phase transitions. Firstly, we discuss the physics of quantum phase transitions in quantum wires as a function of an external gate voltage when new subbands are activated. We find that at these transitions, strong correlations lead to the formation of an impenetrable gas of polarons, and identify criteria for possible instabilities in the spin- and charge sectors of the model. Our analysis is based on the combination of exact resummations, renormalization group techniques and Luttinger liquid approaches. Secondly, we turn to the physics of multiple divergent time scales close to a quantum critical point. Using an appropriately generalized renormalization group approach, we identify that the presence of multiple dynamics at a quantum phase transition can lead to the emergence of new critical scaling exponents and thus to the breakdown of the usual scaling schemes. We calculate the critical behavior of various thermodynamic properties and detail how unusual physics can arise. It is hoped that these results might be helpful for the interpretation of experimental scaling puzzles close to quantum critical points. Thirdly, we turn to the physics of topological transitions, and more precisely the physics of Weyl superconductors. The latter are the superconducting variant of the topologically non-trivial Weyl semimetals, and emerge at the quantum phase transition between a topological superconductor and a normal insulator upon perturbing the transition with a time reversal symmetry breaking perturbation, such as magnetism. We characterize the topological properties of Weyl superconductors and establish a topological phase diagram for a particular realization in heterostructures. We discuss the physics of vortices in Weyl

  3. Characterization of neutron leakage probability, k /SUB eff/ , and critical core surface mass density of small reactor assemblies through the Trombay criticality formula

    International Nuclear Information System (INIS)

    Kumar, A.; Rao, K.S.; Srinivasan, M.

    1983-01-01

    The Trombay criticality formula (TCF) has been derived by incorporating a number of well-known concepts of criticality physics to enable prediction of changes in critical size or k /SUB eff/ following alterations in geometrical and physical parameters of uniformly reflected small reactor assemblies characterized by large neutron leakage from the core. The variant parameters considered are size, shape, density and diluent concentration of the core, and density and thickness of the reflector. The effect of these changes (except core size) manifests, through sigma /SUB c/ the critical surface mass density of the ''corresponding critical core,'' that sigma, the massto-surface-area ratio of the core,'' is essentially a measure of the product /rho/ extended to nonspherical systems and plays a dominant role in the TCF. The functional dependence of k /SUB eff/ on sigma/sigma /SUB c/ , the system size relative to critical, is expressed in the TCF through two alternative representations, namely the modified Wigner rational form and, an exponential form, which is given

  4. Computational multi-fluid dynamics predictions of critical heat flux in boiling flow

    International Nuclear Information System (INIS)

    Mimouni, S.; Baudry, C.; Guingo, M.; Lavieville, J.; Merigoux, N.; Mechitoua, N.

    2016-01-01

    Highlights: • A new mechanistic model dedicated to DNB has been implemented in the Neptune_CFD code. • The model has been validated against 150 tests. • Neptune_CFD code is a CFD tool dedicated to boiling flows. - Abstract: Extensive efforts have been made in the last five decades to evaluate the boiling heat transfer coefficient and the critical heat flux in particular. Boiling crisis remains a major limiting phenomenon for the analysis of operation and safety of both nuclear reactors and conventional thermal power systems. As a consequence, models dedicated to boiling flows have being improved. For example, Reynolds Stress Transport Model, polydispersion and two-phase flow wall law have been recently implemented. In a previous work, we have evaluated computational fluid dynamics results against single-phase liquid water tests equipped with a mixing vane and against two-phase boiling cases. The objective of this paper is to propose a new mechanistic model in a computational multi-fluid dynamics tool leading to wall temperature excursion and onset of boiling crisis. Critical heat flux is calculated against 150 tests and the mean relative error between calculations and experimental values is equal to 8.3%. The model tested covers a large physics scope in terms of mass flux, pressure, quality and channel diameter. Water and R12 refrigerant fluid are considered. Furthermore, it was found that the sensitivity to the grid refinement was acceptable.

  5. Computational multi-fluid dynamics predictions of critical heat flux in boiling flow

    Energy Technology Data Exchange (ETDEWEB)

    Mimouni, S., E-mail: stephane.mimouni@edf.fr; Baudry, C.; Guingo, M.; Lavieville, J.; Merigoux, N.; Mechitoua, N.

    2016-04-01

    Highlights: • A new mechanistic model dedicated to DNB has been implemented in the Neptune-CFD code. • The model has been validated against 150 tests. • Neptune-CFD code is a CFD tool dedicated to boiling flows. - Abstract: Extensive efforts have been made in the last five decades to evaluate the boiling heat transfer coefficient and the critical heat flux in particular. Boiling crisis remains a major limiting phenomenon for the analysis of operation and safety of both nuclear reactors and conventional thermal power systems. As a consequence, models dedicated to boiling flows have being improved. For example, Reynolds Stress Transport Model, polydispersion and two-phase flow wall law have been recently implemented. In a previous work, we have evaluated computational fluid dynamics results against single-phase liquid water tests equipped with a mixing vane and against two-phase boiling cases. The objective of this paper is to propose a new mechanistic model in a computational multi-fluid dynamics tool leading to wall temperature excursion and onset of boiling crisis. Critical heat flux is calculated against 150 tests and the mean relative error between calculations and experimental values is equal to 8.3%. The model tested covers a large physics scope in terms of mass flux, pressure, quality and channel diameter. Water and R12 refrigerant fluid are considered. Furthermore, it was found that the sensitivity to the grid refinement was acceptable.

  6. Analytical description of critical dynamics for two-dimensional dissipative nonlinear maps

    International Nuclear Information System (INIS)

    Méndez-Bermúdez, J.A.; Oliveira, Juliano A. de; Leonel, Edson D.

    2016-01-01

    The critical dynamics near the transition from unlimited to limited action diffusion for two families of well known dissipative nonlinear maps, namely the dissipative standard and dissipative discontinuous maps, is characterized by the use of an analytical approach. The approach is applied to explicitly obtain the average squared action as a function of the (discrete) time and the parameters controlling nonlinearity and dissipation. This allows to obtain a set of critical exponents so far obtained numerically in the literature. The theoretical predictions are verified by extensive numerical simulations. We conclude that all possible dynamical cases, independently on the map parameter values and initial conditions, collapse into the universal exponential decay of the properly normalized average squared action as a function of a normalized time. The formalism developed here can be extended to many other different types of mappings therefore making the methodology generic and robust. - Highlights: • We analytically approach scaling properties of a family of two-dimensional dissipative nonlinear maps. • We derive universal scaling functions that were obtained before only approximately. • We predict the unexpected condition where diffusion and dissipation compensate each other exactly. • We find a new universal scaling function that embraces all possible dissipative behaviors.

  7. One-dimensional critical heat flux concerning surface orientation and gap size effects

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yong Hoon; Suh, Kune Y. E-mail: kysuh@snu.ac.kr

    2003-12-01

    Tests were conducted to examine the critical heat flux (CHF) on a one-dimensional downward heating rectangular channel having a narrow gap by changing the orientation of the copper test heater assembly in a pool of saturated water under atmospheric pressure. The test parameters include both the gap sizes of 1, 2, 5 and 10 mm, and the surface orientation angles from the downward-facing position (180 deg.) to the vertical position (90 deg.), respectively. Also, the CHF experiments were performed for pool boiling with varying heater surface orientations in the unconfined space at atmospheric pressure using the rectangular test section. It was observed that the CHF generally decreases as the surface inclination angle increases and as the gap size decreases. In consistency with several studies reported in the literature, it was found that there exists a transition angle at which the CHF changes with a rapid slope. An engineering correlation is developed for the CHF during natural convective boiling in the inclined, confined rectangular channels with the aid of dimensional analysis. This correlation agrees with the experimental data of this study within {+-}20%.

  8. Towards a dynamic assessment of raw materials criticality: Linking agent-based demand — With material flow supply modelling approaches

    International Nuclear Information System (INIS)

    Knoeri, Christof; Wäger, Patrick A.; Stamp, Anna; Althaus, Hans-Joerg; Weil, Marcel

    2013-01-01

    Emerging technologies such as information and communication-, photovoltaic- or battery technologies are expected to increase significantly the demand for scarce metals in the near future. The recently developed methods to evaluate the criticality of mineral raw materials typically provide a ‘snapshot’ of the criticality of a certain material at one point in time by using static indicators both for supply risk and for the impacts of supply restrictions. While allowing for insights into the mechanisms behind the criticality of raw materials, these methods cannot account for dynamic changes in products and/or activities over time. In this paper we propose a conceptual framework intended to overcome these limitations by including the dynamic interactions between different possible demand and supply configurations. The framework integrates an agent-based behaviour model, where demand emerges from individual agent decisions and interaction, into a dynamic material flow model, representing the materials' stocks and flows. Within the framework, the environmental implications of substitution decisions are evaluated by applying life-cycle assessment methodology. The approach makes a first step towards a dynamic criticality assessment and will enhance the understanding of industrial substitution decisions and environmental implications related to critical metals. We discuss the potential and limitation of such an approach in contrast to state-of-the-art methods and how it might lead to criticality assessments tailored to the specific circumstances of single industrial sectors or individual companies. - Highlights: ► Current criticality assessment methods provide a ‘snapshot’ at one point in time. ► They do not account for dynamic interactions between demand and supply. ► We propose a conceptual framework to overcomes these limitations. ► The framework integrates an agent-based behaviour model with a dynamic material flow model. ► The approach proposed makes

  9. Dynamic Stability Analysis and Critical Speed of Rotor supported by a Worn Fluid film Journal Bearings

    Directory of Open Access Journals (Sweden)

    Adnan naji jameel

    2016-03-01

    Full Text Available In this paper, the effect of wear in the fluid film journal bearings on the dynamic stability of rotor bearing system has been studied depending on the development of new analytical equations for motion, instability threshold speed and steady state harmonic response for rotor with offset disc supported by worn journal bearings. Finite element method had been used for modeling the rotor bearing system. The analytical model is verified by comparing its results with that obtained numerically for a rotor supported on the short bearings. The analytical and numerical results showed good agreement with about 8.5% percentage error in the value of critical speed and about 3.5% percentage error in the value of harmonic response. The results obtained show that the wear in journal bearing decrease the instability threshold speed by 2.5% for wear depth 0.02 mm and 12.5% for wear depth 0.04 mm as well as decrease critical speed by 4.2% and steady state harmonic response amplitude by 4.3% for wear depth 0.02 mm and decrease the critical speed by 7.1% and steady state harmonic response amplitude by 13.9% for wear depth 0.04 mm.

  10. Critical behaviour of the randomly stirred dynamical Potts model: novel universality class and effects of compressibility

    International Nuclear Information System (INIS)

    Antonov, N V; Kapustin, A S

    2012-01-01

    Critical behaviour of the dynamical Potts model, subjected to vivid turbulent mixing, is studied by means of the renormalization group. The advecting velocity field is modelled by Kraichnan’s rapid-change ensemble: Gaussian statistics with a given pair correlator 〈vv〉∝δ(t − t′) k −d−ξ , where k is the wave number, d is the dimension of space and 0 < ξ < 2 is an arbitrary exponent. The system exhibits different types of infrared scaling behaviour, associated with four infrared attractors of the renormalization group equations. In addition to the known asymptotic regimes (equilibrium Potts model and passive scalar field), the existence of a new, strongly non-equilibrium type of critical behaviour (universality class) is established, where the self-interaction of the order parameter and the turbulent mixing are equally important. The corresponding critical dimensions and the regions of stability for all the regimes are calculated in the leading order of the double expansion in ξ and ε = 6 − d. Special attention is paid to the effects of compressibility of the fluid, because they lead to interesting crossover phenomena. (paper)

  11. Non-critical string theory formulation of microtubule dynamics and quantum aspects of brain function

    CERN Document Server

    Mavromatos, Nikolaos E

    1995-01-01

    Microtubule (MT) networks, subneural paracrystalline cytosceletal structures, seem to play a fundamental role in the neurons. We cast here the complicated MT dynamics in the form of a 1+1-dimensional non-critical string theory, thus enabling us to provide a consistent quantum treatment of MTs, including enviromental {\\em friction} effects. We suggest, thus, that the MTs are the microsites, in the brain, for the emergence of stable, macroscopic quantum coherent states, identifiable with the {\\em preconscious states}. Quantum space-time effects, as described by non-critical string theory, trigger then an {\\em organized collapse} of the coherent states down to a specific or {\\em conscious state}. The whole process we estimate to take {\\cal O}(1\\,{\\rm sec}), in excellent agreement with a plethora of experimental/observational findings. The {\\em microscopic arrow of time}, endemic in non-critical string theory, and apparent here in the self-collapse process, provides a satisfactory and simple resolution to the age...

  12. Dynamic balancing of super-critical rotating structures using slow-speed data via parametric excitation

    Science.gov (United States)

    Tresser, Shachar; Dolev, Amit; Bucher, Izhak

    2018-02-01

    High-speed machinery is often designed to pass several "critical speeds", where vibration levels can be very high. To reduce vibrations, rotors usually undergo a mass balancing process, where the machine is rotated at its full speed range, during which the dynamic response near critical speeds can be measured. High sensitivity, which is required for a successful balancing process, is achieved near the critical speeds, where a single deflection mode shape becomes dominant, and is excited by the projection of the imbalance on it. The requirement to rotate the machine at high speeds is an obstacle in many cases, where it is impossible to perform measurements at high speeds, due to harsh conditions such as high temperatures and inaccessibility (e.g., jet engines). This paper proposes a novel balancing method of flexible rotors, which does not require the machine to be rotated at high speeds. With this method, the rotor is spun at low speeds, while subjecting it to a set of externally controlled forces. The external forces comprise a set of tuned, response dependent, parametric excitations, and nonlinear stiffness terms. The parametric excitation can isolate any desired mode, while keeping the response directly linked to the imbalance. A software controlled nonlinear stiffness term limits the response, hence preventing the rotor to become unstable. These forces warrant sufficient sensitivity required to detect the projection of the imbalance on any desired mode without rotating the machine at high speeds. Analytical, numerical and experimental results are shown to validate and demonstrate the method.

  13. Towards the Verification of Safety-critical Autonomous Systems in Dynamic Environments

    Directory of Open Access Journals (Sweden)

    Adina Aniculaesei

    2016-12-01

    Full Text Available There is an increasing necessity to deploy autonomous systems in highly heterogeneous, dynamic environments, e.g. service robots in hospitals or autonomous cars on highways. Due to the uncertainty in these environments, the verification results obtained with respect to the system and environment models at design-time might not be transferable to the system behavior at run time. For autonomous systems operating in dynamic environments, safety of motion and collision avoidance are critical requirements. With regard to these requirements, Macek et al. [6] define the passive safety property, which requires that no collision can occur while the autonomous system is moving. To verify this property, we adopt a two phase process which combines static verification methods, used at design time, with dynamic ones, used at run time. In the design phase, we exploit UPPAAL to formalize the autonomous system and its environment as timed automata and the safety property as TCTL formula and to verify the correctness of these models with respect to this property. For the runtime phase, we build a monitor to check whether the assumptions made at design time are also correct at run time. If the current system observations of the environment do not correspond to the initial system assumptions, the monitor sends feedback to the system and the system enters a passive safe state.

  14. A Modified Critical State Two-surface Plasticity Model for Sand

    DEFF Research Database (Denmark)

    Bakmar, Christian LeBlanc; Hededal, O.; Ibsen, Lars Bo

    This paper provides background information and documentation for the implementation of a robust plasticity model as a user-subroutine in the commercial finite difference code, FLAC3D by Itasca. The plasticity model presented is equal to the 3 dimensional critical state two-surface plasticity model...... volumetric and stress-strain behaviour under monotonic and cyclic loading and thereby related observations like accumulation of pore pressure, cyclic mobility and cyclic liquefaction. The plasticity model is implemented with an integration scheme based on the general return mapping algorithm. The integration...... scheme faces convergence difficulties, primarily at very low mean effective stresses. The convergence problems are addressed by suitable correction strategies designed to add robustness, stability and efficiency to the integration scheme. An outline of all model parameters is given with suggestions...

  15. 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.

  16. Determination of Critical Conditions for Puncturing Almonds Using Coupled Response Surface Methodology and Genetic Algorithm

    Directory of Open Access Journals (Sweden)

    Mahmood Mahmoodi-Eshkaftaki

    2013-01-01

    Full Text Available In this study, the effect of seed moisture content, probe diameter and loading velocity (puncture conditions on some mechanical properties of almond kernel and peeled almond kernel is considered to model a relationship between the puncture conditions and rupture energy. Furthermore, distribution of the mechanical properties is determined. The main objective is to determine the critical values of mechanical properties significant for peeling machines. The response surface methodology was used to find the relationship between the input parameters and the output responses, and the fitness function was applied to measure the optimal values using the genetic algorithm. Two-parameter Weibull function was used to describe the distribution of mechanical properties. Based on the Weibull parameter values, i.e. shape parameter (β and scale parameter (η calculated for each property, the mechanical distribution variations were completely described and it was confirmed that the mechanical properties are rule governed, which makes the Weibull function suitable for estimating their distributions. The energy model estimated using response surface methodology shows that the mechanical properties relate exponentially to the moisture, and polynomially to the loading velocity and probe diameter, which enabled successful estimation of the rupture energy (R²=0.94. The genetic algorithm calculated the critical values of seed moisture, probe diameter, and loading velocity to be 18.11 % on dry mass basis, 0.79 mm, and 0.15 mm/min, respectively, and optimum rupture energy of 1.97·10-³ J. These conditions were used for comparison with new samples, where the rupture energy was experimentally measured to be 2.68 and 2.21·10-³ J for kernel and peeled kernel, respectively, which was nearly in agreement with our model results.

  17. Atomistic interactions of clusters on surfaces using molecular dynamics and hyper molecular dynamics

    International Nuclear Information System (INIS)

    Sanz-Navarro, Carlos F.

    2002-01-01

    The work presented in this thesis describes the results of Molecular Dynamics (MD) simulations applied to the interaction of silver clusters with graphite surfaces and some numerical and theoretical methods concerning the extension of MD simulations to longer time scales (hyper-MD). The first part of this thesis studies the implantation of clusters at normal incidence onto a graphite surface in order to determine the scaling of the penetration depth (PD) against the impact energy. A comparison with experimental results is made with good agreement. The main physical observations of the impact process are described and analysed. It is shown that there is a threshold impact velocity above which the linear dependence on PD on impact energy changes to a linear dependence on velocity. Implantation of silver clusters at oblique incidence is also considered. The second part of this work analyses the validity and feasibility of the three minimisation methods for the hyper-MD simulation method whereby time scales of an MD simulation can be extended. A correct mathematical basis for the iterative method is derived. It is found that one of the iterative methods, upon which hyper-lD is based, is very likely to fail in high-dimensional situations because it requires a too expensive convergence. Two new approximations to the hyper-MD approach are proposed, which reduce the computational effort considerably. Both approaches, although not exact, can help to search for some of the most likely transitions in the system. Some examples are given to illustrate this. (author)

  18. The Ramifications of Meddling with Systems Governed by Self-organized Critical Dynamics

    Science.gov (United States)

    Carreras, B. A.; Newman, D. E.; Dobson, I.

    2002-12-01

    Complex natural, well as man-made, systems often exhibit characteristics similar to those seen in self-organized critical (SOC) systems. The concept of self-organized criticality brings together ideas of self-organization of nonlinear dynamical systems with the often-observed near critical behavior of many natural phenomena. These phenomena exhibit self-similarities over extended ranges of spatial and temporal scales. In those systems, scale lengths may be described by fractal geometry and time scales that lead to 1/f-like power spectra. Natural applications include modeling the motion of tectonics plates, forest fires, magnetospheric dynamics, spin glass systems, and turbulent transport. In man-made systems, applications have included traffic dynamics, power and communications networks, and financial markets among many others. Simple cellular automata models such as the running sandpile model have been very useful in reproducing the complexity and characteristics of these systems. One characteristic property of the SOC systems is that they relax through what we call events. These events can happen over all scales of the system. Examples of these events are: earthquakes in the case of plate tectonic; fires in forest evolution extinction in the co evolution of biological species; and blackouts in power transmission systems. In a time-averaged sense, these systems are subcritical (that is, they lie in an average state that should not trigger any events) and the relaxation events happen intermittently. The time spent in a subcritical state relative to the time of the events varies from one system to another. For instance, the chance of finding a forest on fire is very low with the frequency of fires being on the order of one fire every few years and with many of these fires small and inconsequential. Very large fires happen over time periods of decades or even centuries. However, because of their consequences, these large but infrequent events are the important ones

  19. Dynamic surface tension measurements of ionic surfactants using maximum bubble pressure tensiometry

    Science.gov (United States)

    Ortiz, Camilla U.; Moreno, Norman; Sharma, Vivek

    Dynamic surface tension refers to the time dependent variation in surface tension, and is intimately linked with the rate of mass transfer of a surfactant from liquid sub-phase to the interface. The diffusion- or adsorption-limited kinetics of mass transfer to interfaces is said to impact the so-called foamability and the Gibbs-Marangoni elasticity of surfaces. Dynamic surface tension measurements carried out with conventional methods like pendant drop analysis, Wilhelmy plate, etc. are limited in their temporal resolution (>50 ms). In this study, we describe design and application of maximum bubble pressure tensiometry for the measurement of dynamic surface tension effects at extremely short (1-50 ms) timescales. Using experiments and theory, we discuss the overall adsorption kinetics of charged surfactants, paying special attention to the influence of added salt on dynamic surface tension.

  20. Influence of the heater material on the critical heat load at boiling of liquids on surfaces with different sizes

    Science.gov (United States)

    Anokhina, E. V.

    2010-05-01

    Data on critical heat loads q cr for the saturated and unsaturated pool boiling of water and ethanol under atmospheric pressure are reported. It is found experimentally that the critical heat load does not necessarily coincide with the heat load causing burnout of the heater, which should be taken into account. The absolute values of q cr for the boiling of water and ethanol on copper surfaces 65, 80, 100, 120, and 200 μm in diameter; tungsten surface 100 μm in diameter; and nichrome surface 100 μm in diameter are obtained experimentally.

  1. 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.

  2. 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.

  3. Mapping the surface of MNKr2 and CopZ - identification of residues critical for metallotransfer

    International Nuclear Information System (INIS)

    Jones, C.E.; Cobine, P.A.; Dameron, C.T.

    2001-01-01

    Full text: Cells utilise a network of proteins that include CPx-type ATPases and metallochaperones to balance intracellular copper concentration. The Menkes ATPase has six N-terminal domains which bind Cu(I) and are critical for ATPase function. The NMR solution structure of the second domain (MNKr2) shows that the structure adopts an 'open-faced β-sandwich' fold, in which two α-helices lie over a single four stranded β-sheet. The global fold is identical to the bacterial copper chaperone CopZ MNKr2 is unable to substitute for CopZ in copper transfer to the cop operon represser, CopY. To investigate how structure affects function we have analysed the surface features of MNKr2 and CopZ Despite having the same global fold, MNKr2 and CopZ have contrasting electrostatic surfaces, which may partially explain the inability of MNKr2 to transfer copper to CopY

  4. 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

  5. An analytic model of pool boiling critical heat flux on an immerged downward facing curved surface

    International Nuclear Information System (INIS)

    He, Hui; Pan, Liang-ming; Wu, Yao; Chen, De-qi

    2015-01-01

    Highlights: • Thin liquid film and supplement of liquid contribute to the CHF. • CHF increases from the bottom to the upper of the lowerhead. • Evaporation of thin liquid film is dominant nearby bottom region. • The subcooling has significant effects on the CHF. - Abstract: In this paper, an analytical model of the critical heat flux (CHF) on the downward facing curved surface for pool boiling has been proposed, which hypothesizes that the CHF on the downward facing curved is composed of two parts, i.e. the evaporation of the thin liquid film underneath the elongated bubble adhering to the lower head outer surface and the depletion of supplement of liquid due to the relative motion of vapor bubbles along with the downward facing curved. The former adopts the Kelvin–Helmholtz instability analysis of vapor–liquid interface of the vapor jets which penetrating in the thin liquid film. When the heat flux closing to the CHF point, the vapor–liquid interface becomes highly distorted, which block liquid to feed the thin liquid film and the thin liquid film will dry out gradually. While the latter considers that the vapor bubbles move along with the downward facing curved surface, and the liquid in two-phase boundary layer enter the liquid film that will be exhausted when the CHF occurs. Based on the aforementioned mechanism and the energy balance between the thin liquid film evaporation and water feeding, and taking the subcooling of the bulk water into account, the mathematic model about the downward facing curved surface CHF has been proposed. The CHF of the downward facing curved surface for pool boiling increases along with the downward facing orientation except in the vicinity of bottom center region, because in this region the vapor bubble almost stagnates and the evaporation of the thin liquid film is dominant. In addition, the subcooling has significant effect on the CHF. Comparing the result of this model with the published experimental results show

  6. Critical analysis of the condensation of water vapor at external surface of the duct

    Science.gov (United States)

    Kumar, Dileep; Memon, Rizwan Ahmed; Memon, Abdul Ghafoor; Ali, Intizar; Junejo, Awais

    2018-01-01

    In this paper, the effects of contraction of the insulation of the air duct of heating, ventilation, and air conditioning (HVAC) system is investigated. The compression of the insulation contracts it at joint, turn and other points of the duct. The energy loss and the condensation resulted from this contraction are also estimated. A mathematical model is developed to simulate the effects of this contraction on the heat gain, supply air temperature and external surface temperature of the duct. The simulation uses preliminary data obtained from an HVAC system installed in a pharmaceutical company while varying the operating conditions. The results reveal that insulation thickness should be kept greater than 30 mm and the volume flow rate of the selected air distribution system should be lower than 1.4m3/s to subside condensation on the external surface of the duct. Additionally, the optimum insulation thickness was determined by considering natural gas as an energy source and fiberglass as an insulation material. The optimum insulation thickness determined for different duct sizes varies from 28 to 45 mm, which is greater than the critical insulation thickness. Therefore, the chances of condensation on the external surface of the duct could be avoided at an optimum insulation thickness. Moreover, the effect of pressure loss coefficient of the duct fitting of air distribution system is estimated. The electricity consumption in air handling unit (AHU) decreases from 2.1 to 1.5 kW by decreasing the pressure loss coefficient from 1.5 to 0.5.

  7. Critical ionisation velocity and the dynamics of a coaxial plasma gun

    International Nuclear Information System (INIS)

    Raadu, M.A.

    1978-01-01

    The dynamics of an ionising wave in a coaxial plasma gun with an azimuthal bias magnetic field is analysed in a theoretical model. Only the radial dependence is treated and instead of including a treatment of the energy balance two separate physical assumptions are made. In the first case it is assumed that the total internal electric field is given by the critical ionisation velocity condition and in the second that the ionisation rate is constant. For consistency wall sheaths are assumed to match the internal plasma potential to that of the walls. On the basis of momentum and particle balance the radial dependence of the electron density, current density, electric field and drift velocity are found. An electron source is required at the cathode and the relative contribution from ionisation within the plasma is deduced. The assumption that there are no ion sources at the electrodes leads to a restriction on the possible values of the axial electric field. (author)

  8. Inhomogeneous quasi-adiabatic driving of quantum critical dynamics in weakly disordered spin chains

    International Nuclear Information System (INIS)

    Rams, Marek M; Mohseni, Masoud; Campo, Adolfo del

    2016-01-01

    We introduce an inhomogeneous protocol to drive a weakly disordered quantum spin chain quasi-adiabatically across a quantum phase transition and minimize the residual energy of the final state. The number of spins that simultaneously reach the critical point is controlled by the length scale in which the magnetic field is modulated, introducing an effective size that favors adiabatic dynamics. The dependence of the residual energy on this length scale and the velocity at which the magnetic field sweeps out the chain is shown to be nonmonotonic. We determine the conditions for an optimal suppression of the residual energy of the final state and show that inhomogeneous driving can outperform conventional adiabatic schemes based on homogeneous control fields by several orders of magnitude. (paper)

  9. Linking seasonal surface water dynamics with methane emissions and export from small, forested wetlands

    Science.gov (United States)

    Hondula, K. L.; Palmer, M.

    2017-12-01

    One of the biggest uncertainties about global methane sources and sinks is attributed to uncertainties regarding wetland area and its dynamics. This is exacerbated by confusion over the role of small, shallow water bodies like Delmarva bay wetlands that could be categorized as both wetlands and ponds. These small inland water bodies are often poorly quantified due to their size, closed forest canopies, and inter- and intra-annual variability in surface water extent. We are studying wetland-rich areas on the Delmarva Peninsula in the U.S. mid-Atlantic to address this uncertainty at the scale of individual wetland ecosystems ( 1m depth). We estimated the size and temporal variability of the methane emissions source area by combining these measurements with daily estimates of the extent of surface water inundation derived from water level monitoring and a high-resolution digital elevation model. This knowledge is critical for informing land use decisions (e.g. restoring wetlands specifically for climate mitigation), the jurisdiction of environmental policies in the US, and for resolving major outstanding discrepancies in our understanding of the global methane budget.

  10. 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.

  11. 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.

  12. 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.

  13. Towards a dynamic assessment of raw materials criticality: linking agent-based demand--with material flow supply modelling approaches.

    Science.gov (United States)

    Knoeri, Christof; Wäger, Patrick A; Stamp, Anna; Althaus, Hans-Joerg; Weil, Marcel

    2013-09-01

    Emerging technologies such as information and communication-, photovoltaic- or battery technologies are expected to increase significantly the demand for scarce metals in the near future. The recently developed methods to evaluate the criticality of mineral raw materials typically provide a 'snapshot' of the criticality of a certain material at one point in time by using static indicators both for supply risk and for the impacts of supply restrictions. While allowing for insights into the mechanisms behind the criticality of raw materials, these methods cannot account for dynamic changes in products and/or activities over time. In this paper we propose a conceptual framework intended to overcome these limitations by including the dynamic interactions between different possible demand and supply configurations. The framework integrates an agent-based behaviour model, where demand emerges from individual agent decisions and interaction, into a dynamic material flow model, representing the materials' stocks and flows. Within the framework, the environmental implications of substitution decisions are evaluated by applying life-cycle assessment methodology. The approach makes a first step towards a dynamic criticality assessment and will enhance the understanding of industrial substitution decisions and environmental implications related to critical metals. We discuss the potential and limitation of such an approach in contrast to state-of-the-art methods and how it might lead to criticality assessments tailored to the specific circumstances of single industrial sectors or individual companies. Copyright © 2013 Elsevier B.V. All rights reserved.

  14. Critical heat flux on micro-structured zircaloy surfaces for flow boiling of water at low pressures

    International Nuclear Information System (INIS)

    Haas, C.; Miassoedov, A.; Schulenberg, T.; Wetzel, T.

    2012-01-01

    The influence of surface structure on critical heat flux for flow boiling of water was investigated for Zircaloy tubes in a vertical annular test section. The objectives were to find suitable surface modification processes for Zircaloy tubes and to test their critical heat flux performance in comparison to the smooth tube. Surface structures with micro-channels, porous layer, oxidized layer, and elevations in micro- and nano-scale were produced on a section of a Zircaloy cladding tube. These modified tubes were tested in an internally heated vertical annulus with a heated length of 326 mm and an inner and outer diameter of 9.5 and 18 mm. The experiments were performed with mass fluxes of 250 and 400 kg/(m 2 s), outlet pressures between 120 and 300 kPa, and constant inlet subcooling enthalpy of 167 kJ/kg. Only a small influence of modified surface structures on critical heat flux was observed for the pressure of 120 kPa in the present test section geometry. However, with increasing pressure the critical heat flux could increase up to 29% using the surface structured tubes with micro-channels, porous and oxidized layers. Capillary effects and increased nucleation site density are assumed to improve the critical heat flux performance. (authors)

  15. A tri-objective, dynamic weapon assignment model for surface ...

    African Journals Online (AJOL)

    2015-05-11

    May 11, 2015 ... metaheuristic for solving the vehicle routing problem with time .... them the dynamic programming formulation by Bradford [3] in 1961, the nonlinear pro- ..... The concept of multi-objective optimisation naturally gives rise to the ...

  16. Dynamic of the vapor near an evaporating surface

    International Nuclear Information System (INIS)

    Anders, A.; Anders, S.; Timofeev, I.B.; Yusupaliev, U.

    1987-01-01

    The electrical characteristics of a plasma-dynamic accelerator with a gas fill are studied. The dynamics of a dense plasma jet in air at atmospheric pressure was studied with the help of ultrafast photography and the schlieren technique. It is shown that for impulsive injection of a dense plasma jet into the atmosphere a spherical shock wave and a cloud of intensely radiating plasma, from which under certain conditions a stable long-lived toroidal or spherical plasma configuration forms, are produced

  17. Quench dynamics near a quantum critical point: Application to the sine-Gordon model

    International Nuclear Information System (INIS)

    De Grandi, C.; Polkovnikov, A.; Gritsev, V.

    2010-01-01

    We discuss the quench dynamics near a quantum critical point focusing on the sine-Gordon model as a primary example. We suggest a unified approach to sudden and slow quenches, where the tuning parameter λ(t) changes in time as λ(t)∼υt r , based on the adiabatic expansion of the excitation probability in powers of υ. We show that the universal scaling of the excitation probability can be understood through the singularity of the generalized adiabatic susceptibility χ 2r+2 (λ), which for sudden quenches (r=0) reduces to the fidelity susceptibility. In turn this class of susceptibilities is expressed through the moments of the connected correlation function of the quench operator. We analyze the excitations created after a sudden quench of the cosine potential using a combined approach of form-factors expansion and conformal perturbation theory for the low-energy and high-energy sector, respectively. We find the general scaling laws for the probability of exciting the system, the density of excited quasiparticles, the entropy and the heat generated after the quench. In the two limits where the sine-Gordon model maps to hard-core bosons and free massive fermions we provide the exact solutions for the quench dynamics and discuss the finite temperature generalizations.

  18. Friction and diffusion dynamics of adsorbates at surfaces

    NARCIS (Netherlands)

    Fusco, C.

    2005-01-01

    A theoretical study of the motion of adsorbates (e. g. atoms, molecules or clusters) on solid surfaces is presented, with a focus on surface diffusion and atomic-scale friction. These two phenomena are inextricably linked, because when an atomic or molecular adsorbate diffuses, or is pulled, it

  19. Dynamics of wetting on smooth and rough surfaces.

    NARCIS (Netherlands)

    Cazabat, A.M.; Cohen Stuart, M.A.

    1987-01-01

    The rate of spreading of non-volatile liquids on smooth and on rough surfaces was investigated. The radius of the wetted spot was found to agree with recently proposed scaling laws (t 1/10 for capillarity driven andt 1/8 for gravity driven spreading) when the surface was smooth. However, the

  20. The approximate determination of the critical temperature of a liquid by measuring surface tension versus the temperature

    International Nuclear Information System (INIS)

    Maroto, J A; Nieves, F J de las; Quesada-Perez, M

    2004-01-01

    A classical experience in a physics student laboratory is to determine the surface tension of a liquid versus the temperature and to check the linear appearance of the obtained graph. In this work we show a simple method to estimate the critical temperature of three liquids by using experimental data of surface tension at different temperatures. By a logarithm fitting between surface tension and temperature, the critical temperature can be determined and compared with data from the literature. For two liquids (butanol and nitrobenzene) the comparison is acceptable but the differences are too high for the third liquid (water). By discussing the results it seems to be clear that the difference between the critical temperature of the liquid and the maximum temperature of the surface tension measurements is the determining factor in obtaining acceptable results. From this study it is possible to obtain more information on the liquid characteristics from surface tension measurements that are currently carried out in a student laboratory. Besides, in this paper it is shown how to select the most suitable liquids which provide both acceptable values for the critical temperature and measurements of the surface tension at moderate temperatures. The complementary use of numerical methods permits us to offer a complete experience for the students with a simple laboratory experiment which we recommend for physics students in advanced university courses

  1. 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.

  2. Catchment organisation, free energy dynamics and network control on critical zone water flows

    Science.gov (United States)

    Zehe, E.; Ehret, U.; Kleidon, A.; Jackisch, C.; Scherer, U.; Blume, T.

    2012-04-01

    as that these flow structures organize and dominate flows of water, dissolved matter and sediments during rainfall driven conditions at various scales: - Surface connected vertical flow structures of anecic worm burrows or soil cracks organize and dominated vertical flows at the plot scale - this is usually referred to as preferential flow; - Rill networks at the soil surface organise and dominate hillslope scale overland flow response and sediment yields; - Subsurface pipe networks at the bedrock interface organize and dominate hillslope scale lateral subsurface water and tracer flows; - The river net organizes and dominates flows of water, dissolved matter and sediments to the catchment outlet and finally across continental gradients to the sea. Fundamental progress with respect to the parameterization of hydrological models, subscale flow networks and to understand the adaptation of hydro-geo ecosystems to change could be achieved by discovering principles that govern the organization of catchments flow networks in particular at least during steady state conditions. This insight has inspired various scientists to suggest principles for organization of ecosystems, landscapes and flow networks; as Bejans constructural law, Minimum Energy Expenditure , Maximum Entropy Production. In line with these studies we suggest that a thermodynamic/energetic treatment of the catchment is might be a key for understanding the underlying principles that govern organisation of flow and transport. Our approach is to employ a) physically based hydrological model that address at least all the relevant hydrological processes in the critical zone in a coupled way, behavioural representations of the observed organisation of flow structures and textural elements, that are consistent with observations in two well investigated research catchments and have been tested against distributed observations of soil moisture and catchment scale discharge; to simulate the full concert of hydrological

  3. Toward an improved understanding of the role of transpiration in critical zone dynamics

    Science.gov (United States)

    Mitra, B.; Papuga, S. A.

    2012-12-01

    Evapotranspiration (ET) is an important component of the total water balance across any ecosystem. In subalpine mixed-conifer ecosystems, transpiration (T) often dominates the total water flux and therefore improved understanding of T is critical for accurate assessment of catchment water balance and for understanding of the processes that governs the complex dynamics across critical zone (CZ). The interaction between T and plant vegetation not only modulates soil water balance but also influences water transit time and hydrochemical flux - key factors in our understanding of how the CZ evolves and responds. Unlike an eddy covariance system which provides only an integrated ET flux from an ecosystem, a sap flow system can provide an estimate of the T flux from the ecosystem. By isolating T, the ecohydrological drivers of this major water loss from the CZ can be identified. Still, the species composition of mixed-conifer ecosystems vary and the drivers of T associated with each species are expected to be different. Therefore, accurate quantification of T from a mixed-conifer requires knowledge of the unique transpiration dynamics of each of the tree species. Here, we installed a sap flow system within two mixed-conifer study sites of the Jemez River Basin - Santa Catalina Mountains Critical Zone Observatory (JRB - SCM CZO). At both sites, we identified the dominant tree species and installed sap flow sensors on healthy representatives for each of those species. At the JRB CZO site, sap sensors were installed in fir (4) and spruce (4) trees; at the SCM CZO site, sap sensors were installed at white fir (4) and maple (4) and one dead tree. Meteorological data as well as soil temperature (Ts) and soil moisture (θ) at multiple depths were also collected from each of the two sites. Preliminary analysis of two years of sap flux rate at JRB - SCM CZO shows that the environmental drivers of fir, spruce, and maple are different and also vary throughout the year. For JRB fir

  4. 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.

  5. Dynamics of transportan in bicelles is surface charge dependent

    Energy Technology Data Exchange (ETDEWEB)

    Barany-Wallje, Elsa; Andersson, August; Graeslund, Astrid; Maeler, Lena [Stockholm University, Department of Biochemistry and Biophysics, Arrhenius Laboratories (Sweden)], E-mail: lena.maler@dbb.su.se

    2006-06-15

    In this study we investigated the dynamic behavior of the chimeric cell-penetrating peptide transportan in membrane-like environments using NMR. Backbone amide {sup 15}N spin relaxation was used to investigate the dynamics in two bicelles: neutral DMPC bicelles and partly negatively charged DMPG-containing bicelles. The structure of the peptide as judged from CD and chemical shifts is similar in the two cases. Both the overall motion as well as the local dynamics is, however, different in the two types of bicelles. The overall dynamics of the peptide is significantly slower in the partly negatively charged bicelle environment, as evidenced by longer global correlation times for all measured sites. The local motion, as judged from generalized order parameters, is for all sites in the peptide more restricted when bound to negatively charged bicelles than when bound to neutral bicelles (increase in S{sup 2} is on average 0.11 {+-} 0.07). The slower dynamics of transportan in charged membrane model systems cause significant line broadening in the proton NMR spectrum, which in certain cases limits the observation of {sup 1}H signals for transportan when bound to the membrane. The effect of transportan on DMPC and DHPC motion in zwitterionic bicelles was also investigated, and the motion of both components in the bicelle was found to be affected.

  6. Dynamics of transportan in bicelles is surface charge dependent

    International Nuclear Information System (INIS)

    Barany-Wallje, Elsa; Andersson, August; Graeslund, Astrid; Maeler, Lena

    2006-01-01

    In this study we investigated the dynamic behavior of the chimeric cell-penetrating peptide transportan in membrane-like environments using NMR. Backbone amide 15 N spin relaxation was used to investigate the dynamics in two bicelles: neutral DMPC bicelles and partly negatively charged DMPG-containing bicelles. The structure of the peptide as judged from CD and chemical shifts is similar in the two cases. Both the overall motion as well as the local dynamics is, however, different in the two types of bicelles. The overall dynamics of the peptide is significantly slower in the partly negatively charged bicelle environment, as evidenced by longer global correlation times for all measured sites. The local motion, as judged from generalized order parameters, is for all sites in the peptide more restricted when bound to negatively charged bicelles than when bound to neutral bicelles (increase in S 2 is on average 0.11 ± 0.07). The slower dynamics of transportan in charged membrane model systems cause significant line broadening in the proton NMR spectrum, which in certain cases limits the observation of 1 H signals for transportan when bound to the membrane. The effect of transportan on DMPC and DHPC motion in zwitterionic bicelles was also investigated, and the motion of both components in the bicelle was found to be affected

  7. 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.

  8. DMPD: IRAK1: a critical signaling mediator of innate immunity. [Dynamic Macrophage Pathway CSML Database

    Lifescience Database Archive (English)

    Full Text Available 17890055 IRAK1: a critical signaling mediator of innate immunity. Gottipati S, Rao ...IRAK1: a critical signaling mediator of innate immunity. PubmedID 17890055 Title IRAK1: a critical signaling mediator

  9. Oscillon dynamics and rogue wave generation in Faraday surface ripples.

    Science.gov (United States)

    Xia, H; Maimbourg, T; Punzmann, H; Shats, M

    2012-09-14

    We report new experimental results which suggest that the generation of extreme wave events in the Faraday surface ripples is related to the increase in the horizontal mobility of oscillating solitons (oscillons). The analysis of the oscillon trajectories in a horizontal plane shows that at higher vertical acceleration, oscillons move chaotically, merge and form enclosed areas on the water surface. The probability of the formation of such craters, which precede large wave events, increases with the increase in horizontal mobility.

  10. Sustainability from the Occurrence of Critical Dynamic Power System Blackout Determined by Using the Stochastic Event Tree Technique

    Directory of Open Access Journals (Sweden)

    Muhammad Murtadha Othman

    2017-06-01

    Full Text Available With the advent of advanced technology in smart grid, the implementation of renewable energy in a stressed and complicated power system operation, aggravated by a competitive electricity market and critical system contingencies, this will inflict higher probabilities of the occurrence of a severe dynamic power system blackout. This paper presents the proposed stochastic event tree technique used to assess the sustainability against the occurrence of dynamic power system blackout emanating from implication of critical system contingencies such as the rapid increase in total loading condition and sensitive initial transmission line tripping. An extensive analysis of dynamic power system blackout has been carried out in a case study of the following power systems: IEEE RTS-79 and IEEE RTS-96. The findings have shown that the total loading conditions and sensitive transmission lines need to be given full attention by the utility to prevent the occurrence of dynamic power system blackout.

  11. Surface dynamics and mechanics in liquid crystal polymer coatings

    Science.gov (United States)

    Liu, Danqing; Broer, Dirk J.

    2015-03-01

    Based on liquid crystal networks we developed `smart' coatings with responsive surface topographies. Either by prepatterning or by the formation of self-organized structures they can be switched on and off in a pre-designed manner. Here we provide an overview of our methods to generate coatings that form surface structures upon the actuation by light. The coating oscillates between a flat surface and a surface with pre-designed 3D micro-patterns by modulating a light source. With recent developments in solid state lighting, light is an attractive trigger medium as it can be integrated in a device for local control or can be used remotely for flood or localized exposure. The basic principle of formation of surface topographies is based on the change of molecular organization in ordered liquid crystal polymer networks. The change in order leads to anisotropic dimensional changes with contraction along the director and expansion to the two perpendicular directions and an increase in volume by the formation of free volume. These two effects work in concert to provide local expansion and contraction in the coating steered by the local direction of molecular orientation. The surface deformation, expressed as the height difference between the activated regions and the non-activated regions divided by the initial film thickness, is of the order of 20%. Switching occurs immediately when the light is switched `on' and `off' and takes several tens of seconds.

  12. Dynamic superhydrophobic behavior in scalable random textured polymeric surfaces

    Science.gov (United States)

    Moreira, David; Park, Sung-hoon; Lee, Sangeui; Verma, Neil; Bandaru, Prabhakar R.

    2016-03-01

    Superhydrophobic (SH) surfaces, created from hydrophobic materials with micro- or nano- roughness, trap air pockets in the interstices of the roughness, leading, in fluid flow conditions, to shear-free regions with finite interfacial fluid velocity and reduced resistance to flow. Significant attention has been given to SH conditions on ordered, periodic surfaces. However, in practical terms, random surfaces are more applicable due to their relative ease of fabrication. We investigate SH behavior on a novel durable polymeric rough surface created through a scalable roll-coating process with varying micro-scale roughness through velocity and pressure drop measurements. We introduce a new method to construct the velocity profile over SH surfaces with significant roughness in microchannels. Slip length was measured as a function of differing roughness and interstitial air conditions, with roughness and air fraction parameters obtained through direct visualization. The slip length was matched to scaling laws with good agreement. Roughness at high air fractions led to a reduced pressure drop and higher velocities, demonstrating the effectiveness of the considered surface in terms of reduced resistance to flow. We conclude that the observed air fraction under flow conditions is the primary factor determining the response in fluid flow. Such behavior correlated well with the hydrophobic or superhydrophobic response, indicating significant potential for practical use in enhancing fluid flow efficiency.

  13. INTRODUCTION: Surface Dynamics, Phonons, Adsorbate Vibrations and Diffusion

    Science.gov (United States)

    Bruch, L. W.

    2004-07-01

    understanding of the underlying factors determining the optical quality of GaInNAs, such as composition, growth and annealing conditions. We are still far from establishing an understanding of the band structure and its dependence on composition. Fundamental electronic interactions such as electron-electron and electron-phonon scattering, dependence of effective mass on composition, strain and orientation, quantum confinement effects, effects of localized nitrogen states on high field transport and on galvanometric properties, and mechanisms for light emission in these materials, are yet to be fully understood. Nature and formation mechanisms of grown-in and processing-induced defects that are important for material quality and device performance are still unknown. Such knowledge is required in order to design strategies to efficiently control and eliminate harmful defects. For many potential applications (such as solar cells, HBTs) it is essential to get more information on the transport properties of dilute nitride materials. The mobility of minority carriers is known to be low in GaInNAs and related material. The experimental values are far from reaching the theoretical ones, due to defects and impurities introduced in the material during the growth. The role of the material inhomogeneities on the lateral carrier transport also needs further investigation. From the device's point of view most attention to date has been focused on the GaInNAs/GaAs system, mainly because of its potential for optoelectronic devices covering the 1.3-1.55 µm data and telecommunications wavelength bands. As is now widely appreciated, these GaAs-compatible structures allow monolithic integration of AlGaAs-based distributed Bragg reflector mirrors (DBRs) for vertical cavity surface-emitting lasers with low temperature sensitivity and compatibility with AlOx-based confinement techniques. In terms of conventional edge-emitting lasers (EELs), the next step is to extend the wavelength range for cw room

  14. Effect of surface modification and hybridization on dynamic ...

    Indian Academy of Sciences (India)

    Storage and loss modulus values increased after treatments with simultaneous decrease in tan values. Roystonea regia and glass fibres were used together with varying proportions as reinforcement in epoxy matrix to study the hybridization effect on dynamic mechanical properties. Storage and loss modulus values ...

  15. Stochastic dynamic stiffness of surface footing for offshore wind turbines

    DEFF Research Database (Denmark)

    Vahdatirad, Mohammadjavad; Andersen, Lars Vabbersgaard; Ibsen, Lars Bo

    2014-01-01

    Highlights •This study concerns the stochastic dynamic stiffness of foundations for large offshore wind turbines. •A simple model of wind turbine structure with equivalent coupled springs at the base is utilized. •The level of uncertainties is quantified through a sensitivity analysis. •Estimation...

  16. Dynamical models for sand ripples beneath surface waves

    DEFF Research Database (Denmark)

    Andersen, Ken Haste; Chabanol, M.-L.; v. Hecke, M.

    2001-01-01

    We introduce order parameter models for describing the dynamics of sand ripple patterns under oscillatory flow. A crucial ingredient of these models is the mass transport between adjacent ripples, which we obtain from detailed numerical simulations for a range of ripple sizes. Using this mass tra...

  17. Effect of colored noise on the critical dynamics of the Time-Dependent Landau-Ginzburg Model A

    International Nuclear Information System (INIS)

    Korutcheva, E.; Rubia, J. de la

    1999-08-01

    By using the dynamical renormalization-group method, we show that the introduction of an additive colored noise with weak long-range correlations in the Time-Dependent Landau-Ginzburg Model A, does not give perturbative corrections for the dynamical critical exponent at least up to order O(ε 2 ). This result differs for a system with random quenched impurities, where a similar type of impurity correlation leads to corrections even of order O(ε). (author)

  18. 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...

  19. [Importance of cleaning and disinfection of critical surfaces in dental health services. Impact of an intervention program].

    Science.gov (United States)

    Véliz, Elena; Vergara, Teresa; Pearcy, Mercedes; Dabanch, Jeannette

    Introduction Dental care has become a challenge for healthcare associated infection prevention programs, since the environment, within other factors, plays an important role in the transmission chain. Materials and Methods An intervention program was designed for the Dental Unit of Hospital Militar de Santiago, between years 2014 and 2015. The program contemplated 3 stages: diagnostic, intervention and evaluation stage. Objective To improve the safety of critical surfaces involved in dental healthcare. Results During the diagnostic stage, the cleaning and disinfection process was found to be deficient. The most contaminated critical surface was the instrument holder unit, then the clean area and lamp handle. The surfaces that significantly reduced their contamination, after the intervention, were the clean area and the instrument carrier unit. Conclusion Training in the processes of cleaning and disinfecting surfaces and dental equipment is one of the cost-effective strategies in preventing healthcare-associated infections (HCAI), with simple and easy-to-apply methods.

  20. Surface wettability effects on critical heat flux of boiling heat transfer using nanoparticle coatings

    KAUST Repository

    Hsu, Chin-Chi; Chen, Ping-Hei

    2012-01-01

    This study investigates the effects of surface wettability on pool boiling heat transfer. Nano-silica particle coatings were used to vary the wettability of the copper surface from superhydrophilic to superhydrophobic by modifying surface topography

  1. Molecular dynamics simulation of uranium compound adsorption on solid surface

    International Nuclear Information System (INIS)

    Omori, Yuki; Takizawa, Yuji; Okamoto, Tsuyoshi

    2010-01-01

    Particles mixed in the UF6 gas have the property of accumulating on the inside of piping or units. This type of accumulation will cause material unaccounted for (MUF) in the UF6 gas processing facilities. Development of a calculation model for estimating the accumulation rate of uranium compounds has been expected. And predicting possible part of the units where uranium compounds adsorb will contribute to design an effective detection system. The purpose of this study is to take the basic knowledge of the particle's adsorption mechanism from the microscopic point of view. In simulation analysis, UF5 model particle is produced, then two types of solid surfaces are prepared; one is a solid surface at rest and the other is a moving solid surface. The result obtained by the code 'PABS' showed that when the solid surface moves at a lower velocity, the particle's adsorption process dominates over the particle's breakup one. Besides the velocity of the solid surface, other principal factors affecting an adsorption ratio were also discussed. (author)

  2. Nonlinear friction dynamics on polymer surface under accelerated movement

    Directory of Open Access Journals (Sweden)

    Yuuki Aita

    2017-04-01

    Full Text Available Nonlinear phenomena on the soft material surface are one of the most exciting topics of chemical physics. However, only a few reports exist on the friction phenomena under accelerated movement, because friction between two solid surfaces is considered a linear phenomenon in many cases. We aim to investigate how nonlinear accelerated motion affects friction on solid surfaces. In the present study, we evaluate the frictional forces between two polytetrafluoroethylene (PTFE resins using an advanced friction evaluation system. On PTFE surfaces, the normalized delay time δ, which is the time lag in the response of the friction force to the accelerated movement, is observed in the pre-sliding friction process. Under high-velocity conditions, kinetic friction increases with velocity. Based on these experimental results, we propose a two-phase nonlinear model including a pre-sliding process (from the beginning of sliding of a contact probe to the establishment of static friction and a kinetic friction process. The present model consists of several factors including velocity, acceleration, stiffness, viscosity, and vertical force. The findings reflecting the viscoelastic properties of soft material is useful for various fields such as in the fabrication of clothes, cosmetics, automotive materials, and virtual reality systems as well as for understanding friction phenomena on soft material surfaces.

  3. 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

  4. 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

  5. Dynamical phases of attractive particles sliding on a structured surface

    International Nuclear Information System (INIS)

    Hasnain, J; Jungblut, S; Dellago, C

    2015-01-01

    Inspired by experiments on quartz crystal microbalance setups, we study the mobility of a monolayer of Lennard-Jones particles driven over a hexagonal external potential. We pay special attention to the changes in the dynamical phases that arise when the lattice constant of the external substrate potential and the Lennard-Jones interaction are mismatched. We find that if the average particle separation is such that the particles repel each other, or interact harmonically, the qualitative behavior of the system is akin to that of a monolayer of purely repulsive Yukawa particles. On the other hand, if the particles typically attract each other, the ensuing dynamical states are determined entirely by the relative strength of the Lennard-Jones interaction with respect to that of the external potential. (paper)

  6. CSDMS2.0: Computational Infrastructure for Community Surface Dynamics Modeling

    Science.gov (United States)

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

    2012-12-01

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

  7. Dynamical structure of the turbulent boundary layer on rough surface

    Czech Academy of Sciences Publication Activity Database

    Uruba, Václav; Jonáš, Pavel; Hladík, Ondřej

    2011-01-01

    Roč. 11, č. 1 (2011), s. 603-604 ISSN 1617-7061 R&D Projects: GA ČR GA101/08/1112; GA ČR GAP101/10/1230 Institutional research plan: CEZ:AV0Z20760514 Keywords : turbulent boundary layer * rough wall * hairpin vortex Subject RIV: BK - Fluid Dynamics http://onlinelibrary.wiley.com/doi/10.1002/pamm.201110291/abstract

  8. Surface dynamics and mechanics in liquid crystal polymer coatings

    NARCIS (Netherlands)

    Liu, D.; Broer, D.J.; Chien, L.-C.; Coles, H.J.; Kikuchi, H.; Smalyukh, I.I.

    2015-01-01

    Based on liquid crystal networks we developed 'smart' coatings with responsive surface topographies. Either by prepatterning or by the formation of self-organized structures they can be switched on and off in a pre-designed manner. Here we provide an overview of our methods to generate coatings that

  9. Body surface adaptations to boundary-layer dynamics

    NARCIS (Netherlands)

    Videler, J.J.

    1995-01-01

    Evolutionary processes have adapted nektonic animals to interact efficiently with the water that surrounds them. Not all these adaptations serve the same purpose. This paper concentrates on reduction of drag due to friction in the boundary layer close to the body surface. Mucus, compliant skins,

  10. Dynamic and Impure Perovskite Structured Metal Oxide Surfaces

    DEFF Research Database (Denmark)

    Hansen, Karin Vels; Norrman, Kion; Traulsen, Marie Lund

    2017-01-01

    Surfaces of LSF and LSCF perovskite model electrodes were investigated using a variety of analytical methods on flat model electrodes that were prepared as either pellets or as thin films on top of YSZ pellets in other to throw more light on the widely discussed segregation of layers and particles...

  11. Reaction and Aggregation Dynamics of Cell Surface Receptors

    Science.gov (United States)

    Wang, Michelle Dong

    This dissertation is composed of both theoretical and experimental studies of cell surface receptor reaction and aggregation. Project I studies the reaction rate enhancement due to surface diffusion of a bulk dissolved ligand with its membrane embedded target, using numerical calculations. The results show that the reaction rate enhancement is determined by ligand surface adsorption and desorption kinetic rates, surface and bulk diffusion coefficients, and geometry. In particular, we demonstrate that the ligand surface adsorption and desorption kinetic rates, rather than their ratio (the equilibrium constant), are important in rate enhancement. The second and third projects are studies of acetylcholine receptor clusters on cultured rat myotubes using fluorescence techniques after labeling the receptors with tetramethylrhodamine -alpha-bungarotoxin. The second project studies when and where the clusters form by making time-lapse movies. The movies are made from overlay of the pseudocolored total internal reflection fluorescence (TIRF) images of the cluster, and the schlieren images of the cell cultures. These movies are the first movies made using TIRF, and they clearly show the cluster formation from the myoblast fusion, the first appearance of clusters, and the eventual disappearance of clusters. The third project studies the fine structural features of individual clusters observed under TIRF. The features were characterized with six parameters by developing a novel fluorescence technique: spatial fluorescence autocorrelation. These parameters were then used to study the feature variations with age, and with treatments of drugs (oligomycin and carbachol). The results show little variation with age. However, drug treatment induced significant changes in some parameters. These changes were different for oligomycin and carbachol, which indicates that the two drugs may eliminate clusters through different mechanisms.

  12. Critical surface of the quenched bond-diluted cubic model in self-dual lattice: renormalisation group approach

    International Nuclear Information System (INIS)

    Silva, E.P. da; Tsallis, C.

    1991-01-01

    We propose a quite simple real space renormalisation group which enables us to calculate (for the first time as far as we know, and presumably with high precision) the critical surface of the quenched bond-diluted discrete N-vector ferromagnet. (author)

  13. 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.

  14. Dynamic Critical Rainfall-Based Flash Flood Early Warning and Forecasting for Medium-Small Rivers

    Science.gov (United States)

    Liu, Z.; Yang, D.; Hu, J.

    2012-04-01

    China is extremely frequent food disasters hit countries, annual flood season flash floods triggered by rainfall, mudslides, landslides have caused heavy casualties and property losses, not only serious threaten the lives of the masses, but the majority of seriously restricting the mountain hill areas of economic and social development and the people become rich, of building a moderately prosperous society goals. In the next few years, China will focus on prevention and control area in the flash flood disasters initially built "for the surveillance, communications, forecasting, early warning and other non-engineering measure based, non-engineering measures and the combinations of engineering measures," the mitigation system. The latest progresses on global torrential flood early warning and forecasting techniques are reviewed in this paper, and then an early warning and forecasting approach is proposed on the basis of a distributed hydrological model according to dynamic critical rainfall index. This approach has been applied in Suichuanjiang River basin in Jiangxi province, which is expected to provide valuable reference for building a national flash flood early warning and forecasting system as well as control of such flooding.

  15. Dynamical susceptibility near a long-wavelength critical point with a nonconserved order parameter

    Science.gov (United States)

    Klein, Avraham; Lederer, Samuel; Chowdhury, Debanjan; Berg, Erez; Chubukov, Andrey

    2018-04-01

    We study the dynamic response of a two-dimensional system of itinerant fermions in the vicinity of a uniform (Q =0 ) Ising nematic quantum critical point of d - wave symmetry. The nematic order parameter is not a conserved quantity, and this permits a nonzero value of the fermionic polarization in the d - wave channel even for vanishing momentum and finite frequency: Π (q =0 ,Ωm)≠0 . For weak coupling between the fermions and the nematic order parameter (i.e., the coupling is small compared to the Fermi energy), we perturbatively compute Π (q =0 ,Ωm)≠0 over a parametrically broad range of frequencies where the fermionic self-energy Σ (ω ) is irrelevant, and use Eliashberg theory to compute Π (q =0 ,Ωm) in the non-Fermi-liquid regime at smaller frequencies, where Σ (ω )>ω . We find that Π (q =0 ,Ω ) is a constant, plus a frequency-dependent correction that goes as |Ω | at high frequencies, crossing over to |Ω| 1 /3 at lower frequencies. The |Ω| 1 /3 scaling holds also in a non-Fermi-liquid regime. The nonvanishing of Π (q =0 ,Ω ) gives rise to additional structure in the imaginary part of the nematic susceptibility χ″(q ,Ω ) at Ω >vFq , in marked contrast to the behavior of the susceptibility for a conserved order parameter. This additional structure may be detected in Raman scattering experiments in the d - wave geometry.

  16. Critical current density, vortex dynamics, and phase diagram of single-crystal FeSe

    Science.gov (United States)

    Sun, Yue; Pyon, Sunseng; Tamegai, Tsuyoshi; Kobayashi, Ryo; Watashige, Tatsuya; Kasahara, Shigeru; Matsuda, Yuji; Shibauchi, Takasada

    2015-10-01

    We present a comprehensive study of the vortex pinning and dynamics in a high-quality FeSe single crystal which is free from doping-introduced inhomogeneities and charged quasiparticle scattering because of its innate superconductivity. The critical current density Jc is found to be almost isotropic and reaches a value of ˜3 ×104 A /cm2 at 2 K (self-field) for both H ∥c and a b . The normalized magnetic relaxation rate S (=∣d ln M /d ln t ∣ ) shows a temperature-insensitive plateau behavior in the intermediate temperature range with a relatively high creep rate (S ˜ 0.02 under zero field), which is interpreted in the framework of the collective creep theory. A crossover from the elastic to plastic creep is observed, while the fishtail effect is absent for both H ∥c and a b . Based on this observation, the origin of the fishtail effect is also discussed. Combining the results of Jc and S , the vortex motion in the FeSe single crystal is found to be dominated by sparse, strong pointlike pinning from nanometer-sized defects or imperfections. The weak collective pinning is also observed and proved in the form of large bundles. Besides, the vortex phase diagram of FeSe is also constructed and discussed.

  17. Evolution of dynamic susceptibility in molecular glass formers-a critical assessment

    International Nuclear Information System (INIS)

    Brodin, A; Gainaru, C; Porokhonskyy, V; Roessler, E A

    2007-01-01

    Dielectric, depolarized light scattering (LS) and optical Kerr effect (OKE) data are critically discussed in an attempt to achieve a common interpretation of the evolution of dynamic susceptibility in molecular glass formers at temperatures down to the glass transition T g . The so-called intermediate power-law, observed in OKE data below a certain temperature T x , is identified with the excess wing, long since known from dielectric spectroscopy, with a temperature-independent exponent. This is in contrast with several recent analyses that concluded a considerable temperature dependence of spectral shapes. We introduce a new approach to disentangle α-peak and excess wing contributions in the dielectric spectra, which allows for frequency-temperature superposition (FTS) of the α-process at all temperatures above T g . From the LS spectra we conclude, in particular, that FTS holds even at temperatures well above the melting point, i.e. in normal equilibrium liquids. Attempting to correlate the fragility and stretching, our conclusions are opposite to those made previously. Specifically, we observe that a high fragility is associated with a less stretched relaxation function

  18. 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...

  19. 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

  20. Effect of surface topography upon micro-impact dynamics

    International Nuclear Information System (INIS)

    Mohammadpour, M; Morris, N J; Leighton, M; Rahnejat, H

    2016-01-01

    Often the effect of interactions at nano-scale determines the tribological performance of load bearing contacts. This is particularly the case for lightly loaded conjunctions where a plethora of short range kinetic interactions occur. It is also true of larger load bearing conjunctions where boundary interactions become dominant. At the diminutive scale of fairly smooth surface topography the cumulative discrete interactions give rise to the dominance of boundary effects rather than the bulk micro-scale phenomena, based on continuum mechanics. The integration of the manifold localized discrete interactions into a continuum is the pre-requisite to the understanding of characteristic boundary effects, which transcend the physical length scales and affect the key observed system attributes. These are energy efficiency and vibration refinement. This paper strives to present such an approach. It is shown that boundary and near boundary interactions can be adequately described by surface topographical measures, as well the thermodynamic conditions. (paper)

  1. Dynamic surface-pressure instrumentation for rods in parallel flow

    International Nuclear Information System (INIS)

    Mulcahy, T.M.; Lawrence, W.

    1979-01-01

    Methods employed and experience gained in measuring random fluid boundary layer pressures on the surface of a small diameter cylindrical rod subject to dense, nonhomogeneous, turbulent, parallel flow in a relatively noise-contaminated flow loop are described. Emphasis is placed on identification of instrumentation problems; description of transducer construction, mounting, and waterproofing; and the pretest calibration required to achieve instrumentation capable of reliable data acquisition

  2. Dirac and Weyl fermion dynamics on two-dimensional surface

    International Nuclear Information System (INIS)

    Kavalov, A.R.; Sedrakyan, A.G.; Kostov, I.K.

    1986-01-01

    Fermions on 2-dimensional surface, embedded into a 3-dimensional space are investigated. The determinant of induced Dirac operator for the Dirac and Weyl fermions is calculated. The reparametrization-invariant effective action is determined by conformal anomaly (giving Liouville action) and also by Lorentz anomaly leading to Wess-Zumino term, the structure of which at d=3 is determined by the Hopf topological invariant of the S 3 → S 2 map

  3. Experimental studies of photon-surface interaction dynamics in the alkali halides

    International Nuclear Information System (INIS)

    Haglund, R.F. Jr.; Tolk, N.H.

    1986-01-01

    We describe recent measurements which have provided, in unprecedented detail, insights into the electronic mechanisms through which energy carried into a material by photon irradiation is absorbed, localized and rechanneled to produce desorption, surface modification, erosion and damage. The specific object of these studies has been desorption induced by electronic transition in alkali halide crystals, with particular emphasis on the dynamics of changes in the surface and near-surface regions. In our experiments, the irradiating ultraviolet photons are provided by a synchrotron storage ring, and the dynamical information about desorption products is obtained from optical measurements of the quantum states, yields and velocity distributions of neutral ground-state and excited-state atoms ejected from the surface of the irradiating material. These studies have shown that the dominant exit channels in photon-induced particle emission are those producing ground-state and excited-state neutral atoms. Using dynamical information about these desorbing neutral species, obtained, for example, by laser-induced fluorescence and laser Doppler spectroscopy, we are generating an increasingly comprehensive picture of the dynamics of electronic energy flow into and out of pure crystalline surfaces in these prototypical dielectrics. We are also beginning to be able to relate desorption dynamics to specific materials properties, and to discriminate between pure surface and near-surface effects in these materials. Applications of these techniques to the problem of photon-induced surface damage and to analysis of surface dynamics in dielectric materials are discussed, and the relationships between these nearly ideal model materials and the non-crystalline, covalently bonded materials more typical of real optical elements are pointed out. 19 refs., 13 figs

  4. Dynamics of radon-222 near below ground surface

    International Nuclear Information System (INIS)

    Fukui, Masami; Katsurayama, Kousuke; Nishimura, Susumu.

    1986-01-01

    The concentrations and variation of 222 Rn were investigated both in unconfined groundwater and in the aerated zone to obtain information as to the behavior of Rn close to ground surface. The Rn concentrations in unconfined groundwater near the surface were depletive by the extent of about 50 % compared with that of lower part in a borehole, then the continuous extraction of groundwater causes pronounced increase of the concentration. The method, which monitors continuously the Rn concentration in such surroundings, was developed, where the unconfined groundwater extracted was injected into another borehole and sprayed gas was measured using an ionization chamber. The read-out values of this system well followed the variation of concentrations caused by the meteorological parameter, especially infiltrating water. The increase of 222 Rn concentration in the aerated zone above the water level was clearly observed following the ascendant of groundwater level caused by the infiltrating water, whereas the change of concentration in soil air just below the ground surface obeyed mainly to the wetness of soil and unconfined groundwater level rather than atmospheric pressure. (author)

  5. Dynamical Quantum Phase Transitions in Spin Chains with Long-Range Interactions: Merging Different Concepts of Nonequilibrium Criticality

    Science.gov (United States)

    Žunkovič, Bojan; Heyl, Markus; Knap, Michael; Silva, Alessandro

    2018-03-01

    We theoretically study the dynamics of a transverse-field Ising chain with power-law decaying interactions characterized by an exponent α , which can be experimentally realized in ion traps. We focus on two classes of emergent dynamical critical phenomena following a quantum quench from a ferromagnetic initial state: The first one manifests in the time-averaged order parameter, which vanishes at a critical transverse field. We argue that such a transition occurs only for long-range interactions α ≤2 . The second class corresponds to the emergence of time-periodic singularities in the return probability to the ground-state manifold which is obtained for all values of α and agrees with the order parameter transition for α ≤2 . We characterize how the two classes of nonequilibrium criticality correspond to each other and give a physical interpretation based on the symmetry of the time-evolved quantum states.

  6. 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.

  7. Critical Dynamics of the Xy-Model on the One-Dimensional Superlattice by Position Space Renormalization Group

    Science.gov (United States)

    Lima, J. P. De; Gonçalves, L. L.

    The critical dynamics of the isotropic XY-model on the one-dimensional superlattice is considered in the framework of the position space renormalization group theory. The decimation transformation is introduced by considering the equations of motion of the operators associated to the excitations of the system, and it corresponds to an extension of the procedure introduced by Stinchcombe and dos Santos (J. Phys. A18, L597 (1985)) for the homogeneous lattice. The dispersion relation is obtained exactly and the static and dynamic scaling forms are explicitly determined. The dynamic critical exponent is also obtained and it is shown that it is identical to the one of the XY-model on the homogeneous chain.

  8. 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.

  9. Molecular dynamics simulations of diffusion and clustering along critical isotherms of medium-chain n-alkanes.

    Science.gov (United States)

    Mutoru, J W; Smith, W; O'Hern, C S; Firoozabadi, A

    2013-01-14

    Understanding the transport properties of molecular fluids in the critical region is important for a number of industrial and natural systems. In the literature, there are conflicting reports on the behavior of the self diffusion coefficient D(s) in the critical region of single-component molecular systems. For example, D(s) could decrease to zero, reach a maximum, or remain unchanged and finite at the critical point. Moreover, there is no molecular-scale understanding of the behavior of diffusion coefficients in molecular fluids in the critical regime. We perform extensive molecular dynamics simulations in the critical region of single-component fluids composed of medium-chain n-alkanes-n-pentane, n-decane, and n-dodecane-that interact via anisotropic united-atom potentials. For each system, we calculate D(s), and average molecular cluster sizes κ(cl) and numbers N(cl) at various cluster lifetimes τ, as a function of density ρ in the range 0.2ρ(c) ≤ ρ ≤ 2.0ρ(c) at the critical temperature T(c). We find that D(s) decreases with increasing ρ but remains finite at the critical point. Moreover, for any given τ critical point.

  10. 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.

  11. 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.

  12. A dynamic modelling approach for estimating critical loads of nitrogen based on plant community changes under a changing climate

    International Nuclear Information System (INIS)

    Belyazid, Salim; Kurz, Dani; Braun, Sabine; Sverdrup, Harald; Rihm, Beat; Hettelingh, Jean-Paul

    2011-01-01

    A dynamic model of forest ecosystems was used to investigate the effects of climate change, atmospheric deposition and harvest intensity on 48 forest sites in Sweden (n = 16) and Switzerland (n = 32). The model was used to investigate the feasibility of deriving critical loads for nitrogen (N) deposition based on changes in plant community composition. The simulations show that climate and atmospheric deposition have comparably important effects on N mobilization in the soil, as climate triggers the release of organically bound nitrogen stored in the soil during the elevated deposition period. Climate has the most important effect on plant community composition, underlining the fact that this cannot be ignored in future simulations of vegetation dynamics. Harvest intensity has comparatively little effect on the plant community in the long term, while it may be detrimental in the short term following cutting. This study shows: that critical loads of N deposition can be estimated using the plant community as an indicator; that future climatic changes must be taken into account; and that the definition of the reference deposition is critical for the outcome of this estimate. - Research highlights: → Plant community changes can be used to estimate critical loads of nitrogen. → Climate change is decisive for future changes of geochemistry and plant communities. → Climate change cannot be ignored in estimates of critical loads. → The model ForSAFE-Veg was successfully used to set critical loads of nitrogen. - Plant community composition can be used in dynamic modelling to estimate critical loads of nitrogen deposition, provided the appropriate reference deposition, future climate and target plant communities are defined.

  13. DMPD: Toll like receptors and autoimmunity: a critical appraisal. [Dynamic Macrophage Pathway CSML Database

    Lifescience Database Archive (English)

    Full Text Available 17959357 Toll like receptors and autoimmunity: a critical appraisal. Papadimitraki ...ml) Show Toll like receptors and autoimmunity: a critical appraisal. PubmedID 17959357 Title Toll like receptors and auto

  14. On Equivalence between Critical Probabilities of Dynamic Gossip Protocol and Static Site Percolation

    Science.gov (United States)

    Ishikawa, Tetsuya; Hayakawa, Tomohisa

    The relationship between the critical probability of gossip protocol on the square lattice and the critical probability of site percolation on the square lattice is discussed. Specifically, these two critical probabilities are analytically shown to be equal to each other. Furthermore, we present a way of evaluating the critical probability of site percolation by approximating the saturation of gossip protocol. Finally, we provide numerical results which support the theoretical analysis.

  15. Cellular automaton model for hydrogen transport dynamics through metallic surface

    International Nuclear Information System (INIS)

    Shimura, K.; Yamaguchi, K.; Terai, T.; Yamawaki, M.

    2002-01-01

    Hydrogen re-emission and re-combination at the surface of first wall materials are a crucial issue for the understanding of the fuel recycling and for the tritium inventory in plasma facing materials. It is know to be difficult to model the transient behaviour of those processes due to their complex time-transient nature. However, cellular automata (CA) are powerful tools to model such complex systems because of their nature of discreteness in both dependent and independent variables. Then the system can be represented by the fully local interactions between cells. For that reason, complex physical and chemical systems can be described by fairly simple manner. In this study, the kinetics of desorption of adsorbed hydrogen from an ideal metallic surface is modelled in CA. Thermal desorption is simulated with this model and the comparison with the theory of rate processes is performed to identify the validity of this model. The overall results show that this model is reasonable to express the desorption kinetics

  16. Dynamic modeling of the tradeoff between productivity and safety in critical engineering systems

    International Nuclear Information System (INIS)

    Cowing, Michelle M.; Elisabeth Pate-Cornell, M.; Glynn, Peter W.

    2004-01-01

    Short-term tradeoffs between productivity and safety often exist in the operation of critical facilities such as nuclear power plants, offshore oil platforms, or simply individual cars. For example, interruption of operations for maintenance on demand can decrease short-term productivity but may be needed to ensure safety. Operations are interrupted for several reasons: scheduled maintenance, maintenance on demand, response to warnings, subsystem failure, or a catastrophic accident. The choice of operational procedures (e.g. timing and extent of scheduled maintenance) generally affects the probabilities of both production interruptions and catastrophic failures. In this paper, we present and illustrate a dynamic probabilistic model designed to describe the long-term evolution of such a system through the different phases of operation, shutdown, and possibly accident. The model's parameters represent explicitly the effects of different components' performance on the system's safety and reliability through an engineering probabilistic risk assessment (PRA). In addition to PRA, a Markov model is used to track the evolution of the system and its components through different performance phases. The model parameters are then linked to different operations strategies, to allow computation of the effects of each management strategy on the system's long-term productivity and safety. Decision analysis is then used to support the management of the short-term trade-offs between productivity and safety in order to maximize long-term performance. The value function is that of plant managers, within the constraints set by local utility commissions and national (e.g. energy) agencies. This model is illustrated by the case of outages (planned and unplanned) in nuclear power plants to show how it can be used to guide policy decisions regarding outage frequency and plant lifetime, and more specifically, the choice of a reactor tripping policy as a function of the state of the

  17. Consciousness viewed in the framework of brain phase space dynamics, criticality, and the Renormalization Group

    International Nuclear Information System (INIS)

    Werner, Gerhard

    2013-01-01

    The topic of this paper will be addressed in three stages: I will first review currently prominent theoretical conceptualizations of the neurobiology of consciousness and, where appropriate, identify ill-advised and flawed notions in theoretical neuroscience that may impede viewing consciousness as a phenomenon in the physics of brain. In this context, I will also introduce relevant facts that tend not to receive adequate attention in much of the current consciousness discourse. Next, I will review the evidence that accrued in the last decade that identifies the resting brain as being in a state of criticality. In the framework of state phase dynamics of statistical physics, this observational evidence also entails that the resting brain is poised at the brink of a second order phase transition. On this basis, I will in the third stage propose applying the framework of the Renormalization Group to viewing consciousness as a phenomenon in statistical physics. In physics, concepts of phase space transitions and the Renormalization Group are powerful tools for interpreting phenomena involving many scales of length and time in complex systems. The significance of these concepts lies in their accounting for the emergence of different levels of new collective behaviors in complex systems, each level with its distinct macroscopic physics, organization, and laws, as a new pattern of reality. In this framework, I propose to view subjectivity as the symbolic description of the physical brain state of consciousness that emerges as one of the levels of phase transitions of the brain-body-environment system, along the trajectory of Renormalization Group Transformations

  18. Poverty alleviation strategies in eastern China lead to critical ecological dynamics.

    Science.gov (United States)

    Zhang, Ke; Dearing, John A; Dawson, Terence P; Dong, Xuhui; Yang, Xiangdong; Zhang, Weiguo

    2015-02-15

    Poverty alleviation linked to agricultural intensification has been achieved in many regions but there is often only limited understanding of the impacts on ecological dynamics. A central need is to observe long term changes in regulating and supporting services as the basis for assessing the likelihood of sustainable agriculture or ecological collapse. We show how the analyses of 55 time-series of social, economic and ecological conditions can provide an evolutionary perspective for the modern Lower Yangtze River Basin region since the 1950s with powerful insights about the sustainability of modern ecosystem services. Increasing trends in provisioning ecosystem services within the region over the past 60 years reflect economic growth and successful poverty alleviation but are paralleled by steep losses in a range of regulating ecosystem services mainly since the 1980s. Increasing connectedness across the social and ecological domains after 1985 points to a greater uniformity in the drivers of the rural economy. Regime shifts and heightened levels of variability since the 1970s in local ecosystem services indicate progressive loss of resilience across the region. Of special concern are water quality services that have already passed critical transitions in several areas. Viewed collectively, our results suggest that the regional social-ecological system passed a tipping point in the late 1970s and is now in a transient phase heading towards a new steady state. However, the long-term relationship between economic growth and ecological degradation shows no sign of decoupling as demanded by the need to reverse an unsustainable trajectory. Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.

  19. Dynamic potential and surface morphology study of sertraline membrane sensors

    Science.gov (United States)

    Khater, M.M.; Issa, Y.M.; Hassib, H.B.; Mohammed, S.H.

    2014-01-01

    New rapid, sensitive and simple electrometric method was developed to determine sertraline hydrochloride (Ser-Cl) in its pure raw material and pharmaceutical formulations. Membrane sensors based on heteropolyacids as ion associating material were prepared. Silicomolybdic acid (SMA), silicotungstic acid (STA) and phosphomolybdic acid (PMA) were used. The slope and limit of detection are 50.00, 60.00 and 53.24 mV/decade and 2.51, 5.62 and 4.85 μmol L−1 for Ser-ST, Ser-PM and Ser-SM membrane sensors, respectively. Linear range is 0.01–10.00 for the three sensors. These new sensors were used for the potentiometric titration of Ser-Cl using sodium tetraphenylborate as titrant. The surface morphologies of the prepared membranes with and without the modifier (ion-associate) were studied using scanning and atomic force microscopes. PMID:26257944

  20. Gallium surface diffusion on GaAs (001) surfaces measured by crystallization dynamics of Ga droplets

    International Nuclear Information System (INIS)

    Bietti, Sergio; Somaschini, Claudio; Esposito, Luca; Sanguinetti, Stefano; Fedorov, Alexey

    2014-01-01

    We present accurate measurements of Ga cation surface diffusion on GaAs surfaces. The measurement method relies on atomic force microscopy measurement of the morphology of nano–disks that evolve, under group V supply, from nanoscale group III droplets, earlier deposited on the substrate surface. The dependence of the radius of such nano-droplets on crystallization conditions gives direct access to Ga diffusion length. We found an activation energy for Ga on GaAs(001) diffusion E A =1.31±0.15 eV, a diffusivity prefactor of D 0  = 0.53(×2.1±1) cm 2 s −1 that we compare with the values present in literature. The obtained results permit to better understand the fundamental physics governing the motion of group III ad–atoms on III–V crystal surfaces and the fabrication of designable nanostructures.

  1. Measuring and modeling surface sorption dynamics of organophosphate flame retardants on impervious surfaces

    Data.gov (United States)

    U.S. Environmental Protection Agency — The data presented in this data file is a product of a journal publication. The dataset contains measured and model predicted OPFRs gas-phase and surface-phase...

  2. A novel approach to locomotion learning: Actor-Critic architecture using central pattern generators and dynamic motor primitives.

    Science.gov (United States)

    Li, Cai; Lowe, Robert; Ziemke, Tom

    2014-01-01

    In this article, we propose an architecture of a bio-inspired controller that addresses the problem of learning different locomotion gaits for different robot morphologies. The modeling objective is split into two: baseline motion modeling and dynamics adaptation. Baseline motion modeling aims to achieve fundamental functions of a certain type of locomotion and dynamics adaptation provides a "reshaping" function for adapting the baseline motion to desired motion. Based on this assumption, a three-layer architecture is developed using central pattern generators (CPGs, a bio-inspired locomotor center for the baseline motion) and dynamic motor primitives (DMPs, a model with universal "reshaping" functions). In this article, we use this architecture with the actor-critic algorithms for finding a good "reshaping" function. In order to demonstrate the learning power of the actor-critic based architecture, we tested it on two experiments: (1) learning to crawl on a humanoid and, (2) learning to gallop on a puppy robot. Two types of actor-critic algorithms (policy search and policy gradient) are compared in order to evaluate the advantages and disadvantages of different actor-critic based learning algorithms for different morphologies. Finally, based on the analysis of the experimental results, a generic view/architecture for locomotion learning is discussed in the conclusion.

  3. A Novel Approach to Locomotion Learning: Actor-Critic Architecture using Central Pattern Generators and Dynamic Motor Primitives

    Directory of Open Access Journals (Sweden)

    Cai eLi

    2014-10-01

    Full Text Available In this article, we propose an architecture of a bio-inspired controller that addresses the problem of learning different locomotion gaits for different robot morphologies. The modelling objective is split into two: baseline motion modelling and dynamics adaptation. Baseline motion modelling aims to achieve fundamental functions of a certain type of locomotion and dynamics adaptation provides a ``reshaping function for adapting the baseline motion to desired motion. Based on this assumption, a three-layer architecture is developed using central pattern generators (CPGs, a bio-inspired locomotor center for the the baseline motion and dynamic motor primitives (DMPs, a model with universal ``reshaping functions. In this article, we use this architecture with the actor-critic algorithms for finding a good ``reshaping function. In order to demonstrate the learning power of the actor-critic based architecture, we tested it on two experiments: 1 learning to crawl on a humanoid and, 2 learning to gallop on a puppy robot. Two types of actor-critic algorithms (policy search and policy gradient are compared in order to evaluate the advantages and disadvantages of different actor-critic based learning algorithms for different morphologies. Finally, based on the analysis of the experimental results, a generic view/architecture for locomotion learning is discussed in the conclusion.

  4. Splash Dynamics of Watercolors on Dry, Wet, and Cooled Surfaces

    Science.gov (United States)

    Baron, David; Vaidya, Ashwin; Su, Haiyan

    2015-11-01

    In his classic study in 1908, A.M. Worthington gave a thorough account of splashes and their formation through visualization experiments. In more recent times, there has been renewed interest in this subject, and much of the underlying physics behind Worthington's experiments has now been clarified. One specific set of such recent studies, which motivates this paper, concerns the fluid dynamics behind Jackson Pollock's drip paintings. The physical processes and the mathematical structures hidden in his works have received serious attention and made the scientific pursuit of art a compelling area of exploration. Our work explores the interaction of watercolors with watercolor paper. Specifically, we conduct experiments to analyze the settling patterns of droplets of watercolor paint on wet and frozen paper. Variations in paint viscosity, paper roughness, paper temperature, and the height of a released droplet are examined from time of impact, through its transient stages, until its final, dry state. Observable phenomena such as paint splashing, spreading, fingering, branching, rheological deposition, and fractal patterns are studied in detail and classified in terms of the control parameters.

  5. Ultrafast electron dynamics at alkali/ice structures adsorbed on a metal surface

    International Nuclear Information System (INIS)

    Meyer, Michael

    2011-01-01

    mediated by tunneling through a potential barrier which is determined by the thickness of the ice layer. In the second system electron solvation at small alkali/water clusters directly prepared at the metal substrate is investigated. In these experiments the average number of water molecules in such a cluster can be controlled so that the population and stabilization dynamics of excess electrons can be investigated as a function of D 2 O coverage. Two main effects are observed: (i) the alkalis are solvated by a reorientation of the surrounding solvent molecules in the cluster; and (ii) above a critical number of water molecules per alkali excess electrons can localize at the clusters where they are energetically stabilized. This critical ratio depends on the type of alkali and is inversely proportional to the alkali-induced dipole moment. Finally, it is demonstrated that trapped electrons in crystalline ice adsorbed on Ru(001) can very efficiently mediate chemical reactions via dissociative electron attachment. When electronegative molecules like CFCl 3 are coadsorbed with crystalline ice a DEA process between trapped electrons and CFCl 3 molecules occurs, resulting in the formation of .CFCl 2 radicals and Cl - anions. These results suggest that photoexcited trapped electrons can play an important role in heterogeneous chemical processes on ice surfaces and could thus be relevant in the polar stratosphere chemistry.

  6. 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.

  7. Modeling land-surface/atmosphere dynamics for CHAMMP

    International Nuclear Information System (INIS)

    Gutowski, W.J. Jr.

    1993-01-01

    Project progress is described on a DOE CHAMP project to model the land-surface/atmosphere coupling in a heterogeneous environment. This work is a collaboration between scientists at Iowa State University and the University of New Hampshire. Work has proceeded in two areas: baseline model coupling and data base development for model validation. The core model elements (land model, atmosphere model) have been ported to the Principal Investigator's computing system and baseline coupling has commenced. The initial target data base is the set of observations from the FIFE field campaign, which is in the process of being acquired. For the remainder of the project period, additional data from the region surrounding the FIFE site and from other field campaigns will be acquired to determine how to best extrapolate results from the initial target region to the rest of the globe. In addition, variants of the coupled model will be used to perform experiments examining resolution requirements and coupling strategies for land-atmosphere coupling in a heterogeneous environment

  8. Calculation of surface potentials at the silica–water interface using molecular dynamics: Challenges and opportunities

    Science.gov (United States)

    Lowe, Benjamin M.; Skylaris, Chris-Kriton; Green, Nicolas G.; Shibuta, Yasushi; Sakata, Toshiya

    2018-04-01

    Continuum-based methods are important in calculating electrostatic properties of interfacial systems such as the electric field and surface potential but are incapable of providing sufficient insight into a range of fundamentally and technologically important phenomena which occur at atomistic length-scales. In this work a molecular dynamics methodology is presented for interfacial electric field and potential calculations. The silica–water interface was chosen as an example system, which is highly relevant for understanding the response of field-effect transistors sensors (FET sensors). Detailed validation work is presented, followed by the simulated surface charge/surface potential relationship. This showed good agreement with experiment at low surface charge density but at high surface charge density the results highlighted challenges presented by an atomistic definition of the surface potential. This methodology will be used to investigate the effect of surface morphology and biomolecule addition; both factors which are challenging using conventional continuum models.

  9. 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.

  10. Transmission-lattice based geometric phase analysis for evaluating the dynamic deformation of a liquid surface.

    Science.gov (United States)

    Shi, Wenxiong; Huang, Xianfu; Liu, Zhanwei

    2014-05-05

    Quantitatively measuring a dynamic liquid surface often presents a challenge due to high transparency, fluidity and specular reflection. Here, a novel Transmission-Lattice based Geometric Phase Analysis (TLGPA) method is introduced. In this method, a special lattice is placed underneath a liquid to be tested and, when viewed from above, the phase of the transmission-lattice image is modulated by the deformation of the liquid surface. Combining this with multi-directional Newton iteration algorithms, the dynamic deformation field of the liquid surface can be calculated from the phase variation of a series of transmission-lattice images captured at different moments. The developed method has the advantage of strong self-adaption ability to initial lattice rotational errors and this is discussed in detail. Dynamic 3D ripples formation and propagation was investigated and the results obtained demonstrated the feasibility of the method.

  11. Dynamic, electronically switchable surfaces for membrane protein microarrays.

    Science.gov (United States)

    Tang, C S; Dusseiller, M; Makohliso, S; Heuschkel, M; Sharma, S; Keller, B; Vörös, J

    2006-02-01

    Microarray technology is a powerful tool that provides a high throughput of bioanalytical information within a single experiment. These miniaturized and parallelized binding assays are highly sensitive and have found widespread popularity especially during the genomic era. However, as drug diagnostics studies are often targeted at membrane proteins, the current arraying technologies are ill-equipped to handle the fragile nature of the protein molecules. In addition, to understand the complex structure and functions of proteins, different strategies to immobilize the probe molecules selectively onto a platform for protein microarray are required. We propose a novel approach to create a (membrane) protein microarray by using an indium tin oxide (ITO) microelectrode array with an electronic multiplexing capability. A polycationic, protein- and vesicle-resistant copolymer, poly(l-lysine)-grafted-poly(ethylene glycol) (PLL-g-PEG), is exposed to and adsorbed uniformly onto the microelectrode array, as a passivating adlayer. An electronic stimulation is then applied onto the individual ITO microelectrodes resulting in the localized release of the polymer thus revealing a bare ITO surface. Different polymer and biological moieties are specifically immobilized onto the activated ITO microelectrodes while the other regions remain protein-resistant as they are unaffected by the induced electrical potential. The desorption process of the PLL-g-PEG is observed to be highly selective, rapid, and reversible without compromising on the integrity and performance of the conductive ITO microelectrodes. As such, we have successfully created a stable and heterogeneous microarray of biomolecules by using selective electronic addressing on ITO microelectrodes. Both pharmaceutical diagnostics and biomedical technology are expected to benefit directly from this unique method.

  12. Is there an association between airborne and surface microbes in the critical care environment?

    Science.gov (United States)

    Smith, J; Adams, C E; King, M F; Noakes, C J; Robertson, C; Dancer, S J

    2018-04-09

    There are few data and no accepted standards for air quality in the intensive care unit (ICU). Any relationship between airborne pathogens and hospital-acquired infection (HAI) risk in the ICU remains unknown. First, to correlate environmental contamination of air and surfaces in the ICU; second, to examine any association between environmental contamination and ICU-acquired staphylococcal infection. Patients, air, and surfaces were screened on 10 sampling days in a mechanically ventilated 10-bed ICU for a 10-month period. Near-patient hand-touch sites (N = 500) and air (N = 80) were screened for total colony count and Staphylococcus aureus. Air counts were compared with surface counts according to proposed standards for air and surface bioburden. Patients were monitored for ICU-acquired staphylococcal infection throughout. Overall, 235 of 500 (47%) surfaces failed the standard for aerobic counts (≤2.5 cfu/cm 2 ). Half of passive air samples (20/40: 50%) failed the 'index of microbial air' contamination (2 cfu/9 cm plate/h), and 15/40 (37.5%) active air samples failed the clean air standard (<10 cfu/m 3 ). Settle plate data were closer to the pass/fail proportion from surfaces and provided the best agreement between air parameters and surfaces when evaluating surface benchmark values of 0-20 cfu/cm 2 . The surface standard most likely to reflect hygiene pass/fail results compared with air was 5 cfu/cm 2 . Rates of ICU-acquired staphylococcal infection were associated with surface counts per bed during 72h encompassing sampling days (P = 0.012). Passive air sampling provides quantitative data analogous to that obtained from surfaces. Settle plates could serve as a proxy for routine environmental screening to determine the infection risk in ICU. Copyright © 2018 The Healthcare Infection Society. Published by Elsevier Ltd. All rights reserved.

  13. 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.

  14. 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.

  15. 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.

  16. Switch of Sensitivity Dynamics Revealed with DyGloSA Toolbox for Dynamical Global Sensitivity Analysis as an Early Warning for System's Critical Transition

    Science.gov (United States)

    Baumuratova, Tatiana; Dobre, Simona; Bastogne, Thierry; Sauter, Thomas

    2013-01-01

    Systems with bifurcations may experience abrupt irreversible and often unwanted shifts in their performance, called critical transitions. For many systems like climate, economy, ecosystems it is highly desirable to identify indicators serving as early warnings of such regime shifts. Several statistical measures were recently proposed as early warnings of critical transitions including increased variance, autocorrelation and skewness of experimental or model-generated data. The lack of automatized tool for model-based prediction of critical transitions led to designing DyGloSA – a MATLAB toolbox for dynamical global parameter sensitivity analysis (GPSA) of ordinary differential equations models. We suggest that the switch in dynamics of parameter sensitivities revealed by our toolbox is an early warning that a system is approaching a critical transition. We illustrate the efficiency of our toolbox by analyzing several models with bifurcations and predicting the time periods when systems can still avoid going to a critical transition by manipulating certain parameter values, which is not detectable with the existing SA techniques. DyGloSA is based on the SBToolbox2 and contains functions, which compute dynamically the global sensitivity indices of the system by applying four main GPSA methods: eFAST, Sobol's ANOVA, PRCC and WALS. It includes parallelized versions of the functions enabling significant reduction of the computational time (up to 12 times). DyGloSA is freely available as a set of MATLAB scripts at http://bio.uni.lu/systems_biology/software/dyglosa. It requires installation of MATLAB (versions R2008b or later) and the Systems Biology Toolbox2 available at www.sbtoolbox2.org. DyGloSA can be run on Windows and Linux systems, -32 and -64 bits. PMID:24367574

  17. Switch of sensitivity dynamics revealed with DyGloSA toolbox for dynamical global sensitivity analysis as an early warning for system's critical transition.

    Science.gov (United States)

    Baumuratova, Tatiana; Dobre, Simona; Bastogne, Thierry; Sauter, Thomas

    2013-01-01

    Systems with bifurcations may experience abrupt irreversible and often unwanted shifts in their performance, called critical transitions. For many systems like climate, economy, ecosystems it is highly desirable to identify indicators serving as early warnings of such regime shifts. Several statistical measures were recently proposed as early warnings of critical transitions including increased variance, autocorrelation and skewness of experimental or model-generated data. The lack of automatized tool for model-based prediction of critical transitions led to designing DyGloSA - a MATLAB toolbox for dynamical global parameter sensitivity analysis (GPSA) of ordinary differential equations models. We suggest that the switch in dynamics of parameter sensitivities revealed by our toolbox is an early warning that a system is approaching a critical transition. We illustrate the efficiency of our toolbox by analyzing several models with bifurcations and predicting the time periods when systems can still avoid going to a critical transition by manipulating certain parameter values, which is not detectable with the existing SA techniques. DyGloSA is based on the SBToolbox2 and contains functions, which compute dynamically the global sensitivity indices of the system by applying four main GPSA methods: eFAST, Sobol's ANOVA, PRCC and WALS. It includes parallelized versions of the functions enabling significant reduction of the computational time (up to 12 times). DyGloSA is freely available as a set of MATLAB scripts at http://bio.uni.lu/systems_biology/software/dyglosa. It requires installation of MATLAB (versions R2008b or later) and the Systems Biology Toolbox2 available at www.sbtoolbox2.org. DyGloSA can be run on Windows and Linux systems, -32 and -64 bits.

  18. 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.

  19. Measurements of the surface impedance and the ac critical field of superconducting thin tin films at 10 GHz

    International Nuclear Information System (INIS)

    Spencer, G.L.

    1976-01-01

    The surface impedances and ac critical fields of superconducting thin tin films were studied. These experiments were performed using a superconducting frequency stabilized microwave cavity of high Q. Measurements of the power losses in the cavity and the center frequency of the cavity were used to determine the surface impedance and the critical field of a thin film sample placed in the cavity. In this case a theoretical treatment based on a model proposed by I.O. Kulik was used to fit the data. The general agreement between the modified Kulik treatment and the data, obtained in this experiment, was substantial. The second method was to modify the thin film data to correspond to a bulk situation. This modification was accomplished by taking into account the measuring techniques used and the geometric consideration inherent in the experiment. The comparison between the modified experimental data and calculations obtained from the Mattis-Bardeen bulk model was generally very good. One aspect of the results which was not explained was the presence of a slight increase in the surface resistance in the vicinity of the transition temperature. The critical field measurements were compared to the (1 - (T/T/sub c/)/sup 1/2) dependence predicted by Bardeen. If it is assumed that substantial microwave heating took place in the sample near T/sub c/, then remarkable agreement with the Bardeen model can be reached

  20. 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.

  1. 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.

  2. Enhanced pool boiling critical heat flux induced by capillary wicking effect of a Cr-sputtered superhydrophilic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Son, Hong Hyun; Seo, Gwang Hyeok; Kim, Sung Joong [Hanyang University, Seoul (Korea, Republic of)

    2016-10-15

    In light of boiling heat transfer, the smooth surface potentially reduces active nucleation of bubbles and rewetting of dry spots near the critical heat flux (CHF). This kind of process is highly likely to deteriorate the CHF. Thus, it is essential to produce appropriate microstructures on the surface for the enhancement of the CHF. In this study, to investigate the microstructural effect of thin film-fabricated surfaces on the pool boiling CHF, we controlled the surface roughness in a narrow range of 0.1-0.25 μm and its morphologies, in the form of micro-scratches using PVD sputtering technique. Specifically for DC magnetron sputtering, pure chromium (Cr) was selected as a target material owing to its high oxidation resistance. In order to analyze the CHF trend with changes in roughness, we introduced existing capillary wicking-based models because superhydrophilic characteristics of microstructures are highly related to the capillary wicking behaviors in micro-flow channels. After Cr sputtering under given conditions, the Cr-sputtered surfaces showed superhydrophilic characteristics and its capability became more enhanced with an increase of surface roughness. Judging from spreading behavior of a liquid droplet, the presence of micro-wicking channels, coupled with Cr nanostructures, effectively enhanced the advancing rate of drop base diameter. The CHF exhibited an increasing trend with increasing surface roughness. However, the enhancement ratio agreed poorly with the predictions of the roughness factor-based models, all of which originated from a conventional static force balance.

  3. 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)

  4. 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...

  5. 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

  6. Sea Surface Temperature Modeling using Radial Basis Function Networks With a Dynamically Weighted Particle Filter

    KAUST Repository

    Ryu, Duchwan

    2013-03-01

    The sea surface temperature (SST) is an important factor of the earth climate system. A deep understanding of SST is essential for climate monitoring and prediction. In general, SST follows a nonlinear pattern in both time and location and can be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle filter to estimate the parameters of the dynamic model. We analyze the SST observed in the Caribbean Islands area after a hurricane using the proposed dynamic model. Comparing to the traditional grid-based approach that requires a supercomputer due to its high computational demand, our approach requires much less CPU time and makes real-time forecasting of SST doable on a personal computer. Supplementary materials for this article are available online. © 2013 American Statistical Association.

  7. 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

  8. 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.

  9. 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.

  10. Critical and Creative Reflective Inquiry: Surfacing Narratives to Enable Learning and Inform Action

    Science.gov (United States)

    Cardiff, Shaun

    2012-01-01

    Narratives are being increasingly used in nursing and action research. In this participatory action research study, nurse leaders of an acute care of the older person unit collectively, critically and creatively reflected on lived experiences in order to explore the concept of person-centred leadership within their own practice. This paper…

  11. 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

  12. Determination of the Critical Stress Associated with Dynamic Phase Transformation in Steels by Means of Free Energy Method

    Directory of Open Access Journals (Sweden)

    Clodualdo Aranas

    2018-05-01

    Full Text Available The double differentiation method overestimates the critical stress associated with the initiation of dynamic transformation (DT because significant amounts of the dynamic phase must be present in order for its effect on the work hardening rate to be detectable. In this work, an alternative method (referred to here as the free energy method is presented based on the thermodynamic condition that the driving force is equal to the total energy obstacle during the exact moment of transformation. The driving force is defined as the difference between the DT critical stress (measured in the single-phase austenite region and the yield stress of the fresh ferrite that takes its place. On the other hand, the energy obstacle consists of the free energy difference between austenite and ferrite, and the work of shear accommodation and dilatation associated with the phase transformation. Here, the DT critical stresses in a C-Mn steel were calculated using the free energy method at temperatures ranging from 870 °C to 1070 °C. The results show that the calculated critical stress using the present approach appears to be more accurate than the values measured by the double differentiation method.

  13. A Scale-up Approach for Film Coating Process Based on Surface Roughness as the Critical Quality Attribute.

    Science.gov (United States)

    Yoshino, Hiroyuki; Hara, Yuko; Dohi, Masafumi; Yamashita, Kazunari; Hakomori, Tadashi; Kimura, Shin-Ichiro; Iwao, Yasunori; Itai, Shigeru

    2018-04-01

    Scale-up approaches for film coating process have been established for each type of film coating equipment from thermodynamic and mechanical analyses for several decades. The objective of the present study was to establish a versatile scale-up approach for film coating process applicable to commercial production that is based on critical quality attribute (CQA) using the Quality by Design (QbD) approach and is independent of the equipment used. Experiments on a pilot scale using the Design of Experiment (DoE) approach were performed to find a suitable CQA from surface roughness, contact angle, color difference, and coating film properties by terahertz spectroscopy. Surface roughness was determined to be a suitable CQA from a quantitative appearance evaluation. When surface roughness was fixed as the CQA, the water content of the film-coated tablets was determined to be the critical material attribute (CMA), a parameter that does not depend on scale or equipment. Finally, to verify the scale-up approach determined from the pilot scale, experiments on a commercial scale were performed. The good correlation between the surface roughness (CQA) and the water content (CMA) identified at the pilot scale was also retained at the commercial scale, indicating that our proposed method should be useful as a scale-up approach for film coating process.

  14. 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.

  15. 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.

  16. Quantum dynamics on potential energy surfaces. Simpler states and simpler dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Keller, Johannes Friedrich

    2015-09-25

    In this dissertation we analyze and simplify wave functions and observables in the context of quantum molecular dynamics. The two main topics we discuss are the structure of Hagedorn wave packets in position and phase space, and semiclassical approximations for the propagation of quantum expectations with nonnegative phase space densities. We provide algorithmic discretizations for these approximations and illustrate their validity and applicability by means of numerical experiments.

  17. 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.

  18. Emerging surface characterization techniques for carbon steel corrosion: a critical brief review

    OpenAIRE

    Dwivedi, D.; Lepkova, K.; Becker, T.

    2017-01-01

    Carbon steel is a preferred construction material in many industrial and domestic applications, including oil and gas pipelines, where corrosion mitigation using film-forming corrosion inhibitor formulations is a widely accepted method. This review identifies surface analytical techniques that are considered suitable for analysis of thin films at metallic substrates, but are yet to be applied to analysis of carbon steel surfaces in corrosive media or treated with corrosion inhibitors. The rev...

  19. 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.

  20. 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.

  1. 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.

  2. Trophic dynamics and fishery potentials of the Indian Occean - critical assessment

    Digital Repository Service at National Institute of Oceanography (India)

    Dalal, S.G.; Parulekar, A.H.

    A critical review of the status of the Indian Ocean marine fisheries reveals that the presently exploited annual catch is less than one third of the projected potentials as estimated from the biological productivity and exploratory fishery survey...

  3. 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

  4. The influence of the surface topography on the magnetization dynamics in soft magnetic thin films

    NARCIS (Netherlands)

    Craus, CB; Palasantzas, G; Chezan, AR; De Hosson, JTM; Boerma, DO; Niesen, L

    2005-01-01

    In this work we study the influence of surface roughness on the magnetization dynamics of soft magnetic nanocrystalline Fe-Zr-N thin films deposited (under identical conditions) onto a Si oxide, a thin polymer layer, and a thin Cu layer. The substrate temperature during deposition was approximately

  5. 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

  6. 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...

  7. 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

  8. Elasto-dynamic analysis of spinning nanodisks via a surface energy-based model

    Science.gov (United States)

    Kiani, Keivan

    2016-07-01

    Using the surface elasticity theory of Gurtin and Murdoch, in-plane vibrations of annular nanodisks due to their rotary motion are explored. By the imposition of non-classical boundary conditions on the innermost and outermost surfaces and employing Hamilton’s principle, the unknown elasto-dynamic fields of the bulk zone are determined via the finite element method. The roles of both nanodisk geometry and surface effect on the natural frequencies are addressed. Subsequently, forced vibrations of spinning nanodisks with fixed-free and free-free boundary conditions are comprehensively examined. The obtained results show that the maximum dynamic elastic fields grow in a parabolic manner as the steady angular velocity increases. By increasing the outermost radius, the maximum dynamic elastic field is magnified and the influence of the surface effect on the results reduced. This work can be considered as a pivotal step towards optimal design and dynamic analysis of nanorotors with disk-like parts, which are one of the basic building blocks of the upcoming advanced nanotechnologies.

  9. 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.

  10. Electron paramagnetic resonance and dynamic nuclear polarization of char suspensions: surface science and oximetry

    DEFF Research Database (Denmark)

    Clarkson, R B; Odintsov, B M; Ceroke, P J

    1998-01-01

    ; they can be calibrated and used for oximetry. Biological stability and low toxicity make chars good sensors for in vivo measurements. Scalar and dipolar interactions of water protons at the surfaces of chars may be utilized to produce dynamic nuclear polarization (DNP) of the nuclear spin population...

  11. 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.

  12. 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.

  13. Critical coupling of surface plasmons in graphene attenuated total reflection geometry

    Energy Technology Data Exchange (ETDEWEB)

    Cuevas, Mauro, E-mail: cuevas@df.uba.ar [Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) and Facultad de Ingeniería y Tecnología Informática, Universidad de Belgrano, Villanueva 1324, C1426BMJ, Buenos Aires (Argentina); Grupo de Electromagnetismo Aplicado, Departamento de Física, FCEN, Universidad de Buenos Aires and IFIBA, Ciudad Universitaria, Pabellón I, C1428EHA, Buenos Aires (Argentina)

    2016-12-09

    We study the optical response of an attenuated total reflection (ATR) structure in Otto configuration with graphene sheet, paying especial attention to the occurrence of total absorption. Our results show that due to excitation of surface plasmons on the graphene sheet, two different conditions of total absorption may occur. At these conditions, the energy loss of the surface plasmon by radiation is equal to its energy loss by absorption into the graphene sheet. We give necessary conditions on ATR parameters for the existence of total absorption. - Highlights: • Attenuated total reflection (ATR) structure with graphene sheet. • Surface plasmons and power matched condition. • Necessary conditions on ATR parameters for the existence of total absorption.

  14. Critical coupling of surface plasmons in graphene attenuated total reflection geometry

    International Nuclear Information System (INIS)

    Cuevas, Mauro

    2016-01-01

    We study the optical response of an attenuated total reflection (ATR) structure in Otto configuration with graphene sheet, paying especial attention to the occurrence of total absorption. Our results show that due to excitation of surface plasmons on the graphene sheet, two different conditions of total absorption may occur. At these conditions, the energy loss of the surface plasmon by radiation is equal to its energy loss by absorption into the graphene sheet. We give necessary conditions on ATR parameters for the existence of total absorption. - Highlights: • Attenuated total reflection (ATR) structure with graphene sheet. • Surface plasmons and power matched condition. • Necessary conditions on ATR parameters for the existence of total absorption.

  15. 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.

  16. 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.

  17. Phase transition in anisotropic holographic superfluids with arbitrary dynamical critical exponent z and hyperscaling violation factor α

    Energy Technology Data Exchange (ETDEWEB)

    Park, Miok [Korea Institute for Advanced Study, Seoul (Korea, Republic of); Park, Jiwon; Oh, Jae-Hyuk [Hanyang University, Department of Physics, Seoul (Korea, Republic of)

    2017-11-15

    Einstein-scalar-U(2) gauge field theory is considered in a spacetime characterized by α and z, which are the hyperscaling violation factor and the dynamical critical exponent, respectively. We consider a dual fluid system of such a gravity theory characterized by temperature T and chemical potential μ. It turns out that there is a superfluid phase transition where a vector order parameter appears which breaks SO(3) global rotation symmetry of the dual fluid system when the chemical potential becomes a certain critical value. To study this system for arbitrary z and α, we first apply Sturm-Liouville theory and estimate the upper bounds of the critical values of the chemical potential. We also employ a numerical method in the ranges of 1 ≤ z ≤ 4 and 0 ≤ α ≤ 4 to check if the Sturm-Liouville method correctly estimates the critical values of the chemical potential. It turns out that the two methods are agreed within 10 percent error ranges. Finally, we compute free energy density of the dual fluid by using its gravity dual and check if the system shows phase transition at the critical values of the chemical potential μ{sub c} for the given parameter region of α and z. Interestingly, it is observed that the anisotropic phase is more favored than the isotropic phase for relatively small values of z and α. However, for large values of z and α, the anisotropic phase is not favored. (orig.)

  18. Experimental investigation of the discharge valve dynamics in a reciprocating compressor for trans-critical CO2 refrigeration cycle

    International Nuclear Information System (INIS)

    Ma Yuan; He Zhilong; Peng Xueyuan; Xing Ziwen

    2012-01-01

    The self-acting valve has a significant influence on the efficiency and reliability of the reciprocating compressor. In the trans-critical CO 2 cycle, the large density and high pressure difference across the valve cause serious bending and impact stresses in the valve, offering great challenges for successful valve design. Experimental investigation of the valve dynamics is required in order to design a self-acting valve with a high efficiency and long life span for the trans-critical CO 2 compressor. A semi-hermetic reciprocating compressor was developed for application in CO 2 refrigeration, and a test system was incorporated into the compressor performance test rig, with a focus on investigating the dynamics of the discharge valves. With the experimental results, the movement of the valve was discussed in detail for the trans-critical CO 2 compressor, allowing for the study of the thermodynamic performance of the compressor. While varying design parameters such as pressure ratio, valve lift, spring stiffness and compressor speed, the movement of the discharge valve in the reciprocating CO 2 compressor was measured in order to investigate the major factors that influence the valve dynamics. The average valve speed increased from 0.71 m/s to 0.81 m/s as the discharge pressure changed from 7.8 MPa to 12 MPa. The experimental methods and results discussed in this paper could provide useful information for both valve testing and the optimization of their reliability in trans-critical CO 2 compressors.

  19. 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.

  20. Great differences in the critical erosion threshold between surface and subsurface sediments: A field investigation of an intertidal mudflat, Jiangsu, China

    Science.gov (United States)

    Shi, Benwei; Wang, Ya Ping; Wang, Li Hua; Li, Peng; Gao, Jianhua; Xing, Fei; Chen, Jing Dong

    2018-06-01

    Understanding of bottom sediment erodibility is necessary for the sustainable management and protection of coastlines, and is of great importance for numerical models of sediment dynamics and transport. To investigate the dependence of sediment erodibility on degree of consolidation, we measured turbidity, waves, tidal currents, intratidal bed-level changes, and sediment properties on an exposed macrotidal mudflat during a series of tidal cycles. We estimated the water content of surface sediments (in the uppermost 2 cm of sediment) and sub-surface sediments (at 2 cm below the sediment surface). Bed shear stress values due to currents (τc), waves (τw), and combined current-wave action (τcw) were calculated using a hydrodynamic model. In this study, we estimate the critical shear stress for erosion using two approaches and both of them give similar results. We found that the critical shear stress for erosion (τce) was 0.17-0.18 N/m2 in the uppermost 0-2 cm of sediment and 0.29 N/m2 in sub-surface sediment layers (depth, 2 cm), as determined by time series of τcw values and intratidal bed-level changes, and values of τce, obtained using the water content of bottom sediments, were 0.16 N/m2 in the uppermost 2 cm and 0.28 N/m2 in the sub-surface (depth, 2 cm) sediment. These results indicate that the value of τce for sub-surface sediments (depth, 2 cm) is much greater than that for the uppermost sediments (depth, 0-2 cm), and that the τce value is mainly related to the water content, which is determined by the extent of consolidation. Our results have implications for improving the predictive accuracy of models of sediment transport and morphological evolution, by introducing variable τce values for corresponding sediment layers, and can also provide a mechanistic understanding of bottom sediment erodibility at different sediment depths on intertidal mudflats, as related to differences in the consolidation time.

  1. 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

  2. Emerging surface characterization techniques for carbon steel corrosion: a critical brief review

    Science.gov (United States)

    Dwivedi, D.; Lepkova, K.; Becker, T.

    2017-03-01

    Carbon steel is a preferred construction material in many industrial and domestic applications, including oil and gas pipelines, where corrosion mitigation using film-forming corrosion inhibitor formulations is a widely accepted method. This review identifies surface analytical techniques that are considered suitable for analysis of thin films at metallic substrates, but are yet to be applied to analysis of carbon steel surfaces in corrosive media or treated with corrosion inhibitors. The reviewed methods include time of flight-secondary ion mass spectrometry, X-ray absorption spectroscopy methods, particle-induced X-ray emission, Rutherford backscatter spectroscopy, Auger electron spectroscopy, electron probe microanalysis, near-edge X-ray absorption fine structure spectroscopy, X-ray photoemission electron microscopy, low-energy electron diffraction, small-angle neutron scattering and neutron reflectometry, and conversion electron Moessbauer spectrometry. Advantages and limitations of the analytical methods in thin-film surface investigations are discussed. Technical parameters of nominated analytical methods are provided to assist in the selection of suitable methods for analysis of metallic substrates deposited with surface films. The challenges associated with the applications of the emerging analytical methods in corrosion science are also addressed.

  3. A critical assessment of the JULES land surface model hydrology for humid tropical environments

    Science.gov (United States)

    Zulkafli, Z.; Buytaert, W.; Onof, C.; Lavado, W.; Guyot, J. L.

    2013-03-01

    Global land surface models (LSMs) such as the Joint UK Land Environment Simulator (JULES) are originally developed to provide surface boundary conditions for climate models. They are increasingly used for hydrological simulation, for instance to simulate the impacts of land use changes and other perturbations on the water cycle. This study investigates how well such models represent the major hydrological fluxes at the relevant spatial and temporal scales - an important question for reliable model applications in poorly understood, data-scarce environments. The JULES-LSM is implemented in a 360 000 km2 humid tropical mountain basin of the Peruvian Andes-Amazon at 12-km grid resolution, forced with daily satellite and climate reanalysis data. The simulations are evaluated using conventional discharge-based evaluation methods, and by further comparing the magnitude and internal variability of the basin surface fluxes such as evapotranspiration, throughfall, and surface and subsurface runoff of the model with those observed in similar environments elsewhere. We find reasonably positive model efficiencies and high correlations between the simulated and observed streamflows, but high root-mean-square errors affecting the performance in smaller, upper sub-basins. We attribute this to errors in the water balance and JULES-LSM's inability to model baseflow. We also found a tendency to under-represent the high evapotranspiration rates of the region. We conclude that strategies to improve the representation of tropical systems to be (1) addressing errors in the forcing and (2) incorporating local wetland and regional floodplain in the subsurface representation.

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  5. Critical review: Copper runoff from outdoor copper surfaces at atmospheric conditions.

    Science.gov (United States)

    Hedberg, Yolanda S; Hedberg, Jonas F; Herting, Gunilla; Goidanich, Sara; Odnevall Wallinder, Inger

    2014-01-01

    This review on copper runoff dispersed from unsheltered naturally patinated copper used for roofing and facades summarizes and discusses influencing factors, available literature, and predictive models, and the importance of fate and speciation for environmental risk assessment. Copper runoff from outdoor surfaces is predominantly governed by electrochemical and chemical reactions and is highly dependent on given exposure conditions (size, inclination, geometry, degree of sheltering, and orientation), surface parameters (age, patina composition, and thickness), and site-specific environmental conditions (gaseous pollutants, chlorides, rainfall characteristics (amount, intensity, pH), wind direction, temperature, time of wetness, season). The corrosion rate cannot be used to assess the runoff rate. The extent of released copper varies largely between different rain events and is related to dry and wet periods, dry deposition prior to the rain event and prevailing rain and patina characteristics. Interpretation and use of copper runoff data for environmental risk assessment and management need therefore to consider site-specific factors and focus on average data of long-term studies (several years). Risk assessments require furthermore that changes in copper speciation, bioavailability aspects, and potential irreversible retention on solid surfaces are considered, factors that determine the environmental fate of copper runoff from outdoor surfaces.

  6. Measurement of supercritical CO2 critical flow: Effects of L/D and surface roughness

    International Nuclear Information System (INIS)

    Mignot, Guillaume P.; Anderson, Mark H.; Corradini, Michael L.

    2009-01-01

    The use of supercritical fluids (SCF) has been proposed for advanced power systems including advanced sodium reactors, since these fluids can provide higher thermal efficiency and reduced system component size. Data characterizing the behavior of SCF during a blowdown or rapid depressurization are essential to validate certain aspects of safety analyses. This paper describes the results of an experiment to measure the critical mass flux for numerous stagnation thermodynamic conditions, geometry and outlet tube roughness. It was found that a 1D homogeneous equilibrium model (HEM) was capable of relatively good (less than 10% error) prediction of the test data.

  7. Taking the Step towards a More Dynamic View on Raw Material Criticality: An Indicator Based Analysis for Germany and Japan

    Directory of Open Access Journals (Sweden)

    Simon Glöser-Chahoud

    2016-12-01

    Full Text Available Due to mounting concerns about the security of raw material supplies, numerous studies dealing with the quantification of supply risks and material criticality at the national level have been carried out in previous years. Regarding these studies, most approaches are indicator based static screening methods analyzing large numbers of raw materials and identifying those which are most critical for an economy. The majority of these screening methods quantify supply risks and vulnerabilities for one base year without taking into account temporal changes. Dynamic approaches for specific raw materials analyzing affected value chains in detail have been introduced recently; however, these studies do not intend to provide a screening of larger numbers of commodities. In this paper, we present a simple dynamic screening approach to assess raw material criticality at the country level building upon methods from innovation economics. The indicators applied in this study are only based on broadly available production and trade data, which makes this approach relatively easy to apply. We test our methodology on the example of Germany and Japan—two economies with highly specialized industries and low domestic raw material deposits, and, hence, high import dependency. The results are comparable to those of previously conducted multi indicator based static screening methods. However, they provide additional insight into temporal developments over the previous decade.

  8. Feedback control stabilization of critical dynamics via resource transport on multilayer networks: How glia enable learning dynamics in the brain

    Science.gov (United States)

    Virkar, Yogesh S.; Shew, Woodrow L.; Restrepo, Juan G.; Ott, Edward

    2016-10-01

    Learning and memory are acquired through long-lasting changes in synapses. In the simplest models, such synaptic potentiation typically leads to runaway excitation, but in reality there must exist processes that robustly preserve overall stability of the neural system dynamics. How is this accomplished? Various approaches to this basic question have been considered. Here we propose a particularly compelling and natural mechanism for preserving stability of learning neural systems. This mechanism is based on the global processes by which metabolic resources are distributed to the neurons by glial cells. Specifically, we introduce and study a model composed of two interacting networks: a model neural network interconnected by synapses that undergo spike-timing-dependent plasticity; and a model glial network interconnected by gap junctions that diffusively transport metabolic resources among the glia and, ultimately, to neural synapses where they are consumed. Our main result is that the biophysical constraints imposed by diffusive transport of metabolic resources through the glial network can prevent runaway growth of synaptic strength, both during ongoing activity and during learning. Our findings suggest a previously unappreciated role for glial transport of metabolites in the feedback control stabilization of neural network dynamics during learning.

  9. Improved High Resolution Models of Subduction Dynamics: Use of transversely isotropic viscosity with a free-surface

    Science.gov (United States)

    Liu, X.; Gurnis, M.; Stadler, G.; Rudi, J.; Ratnaswamy, V.; Ghattas, O.

    2017-12-01

    Dynamic topography, or uncompensated topography, is controlled by internal dynamics, and provide constraints on the buoyancy structure and rheological parameters in the mantle. Compared with other surface manifestations such as the geoid, dynamic topography is very sensitive to shallower and more regional mantle structure. For example, the significant dynamic topography above the subduction zone potentially provides a rich mine for inferring the rheological and mechanical properties such as plate coupling, flow, and lateral viscosity variations, all critical in plate tectonics. However, employing subduction zone topography in the inversion study requires that we have a better understanding of the topography from forward models, especially the influence of the viscosity formulation, numerical resolution, and other factors. One common approach to formulating a fault between the subducted slab and the overriding plates in viscous flow models assumes a thin weak zone. However, due to the large lateral variation in viscosity, topography from free-slip numerical models typically has artificially large magnitude as well as high-frequency undulations over subduction zone, which adds to the difficulty in making comparisons between model results and observations. In this study, we formulate a weak zone with the transversely isotropic viscosity (TI) where the tangential viscosity is much smaller than the viscosity in the normal direction. Similar with isotropic weak zone models, TI models effectively decouple subducted slabs from the overriding plates. However, we find that the topography in TI models is largely reduced compared with that in weak zone models assuming an isotropic viscosity. Moreover, the artificial `tooth paste' squeezing effect observed in isotropic weak zone models vanishes in TI models, although the difference becomes less significant when the dip angle is small. We also implement a free-surface condition in our numerical models, which has a smoothing

  10. 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.

  11. A review of the theories of non-critical strings and random surfaces

    International Nuclear Information System (INIS)

    Ambjoern, J.

    1988-11-01

    I review the basic properties of the theory of random surfaces. It is shown that the theory gives a correct description of strings in dimensions d≤1 and of matter fields with central charge c≤1. In this region it coincides with the new results of Knizhnik, Polyakov and Zamolodchikov. Analytical and numerical results for the discretized model and for the standard continuum string model for d>1 indicate a trivial theory in this region. (orig.)

  12. Let’s not forget the critical role of surface tension in xylem water relations

    Science.gov (United States)

    Jean-Christophe Domec

    2011-01-01

    The widely supported cohesion–tension theory of water transport explains the importance of a continuous water column and the mechanism of long-distance ascent of sap in plants (Dixon 1914, Tyree 2003, Angeles et al. 2004). The evaporation of water from the surfaces of mesophyll cells causes the air–water interface to retreat into the cellulose matrix of the plant cell...

  13. Probabilistic risk assessment of insecticide concentrations in agricultural surface waters: a critical appraisal.

    Science.gov (United States)

    Stehle, Sebastian; Knäbel, Anja; Schulz, Ralf

    2013-08-01

    Due to the specific modes of action and application patterns of agricultural insecticides, the insecticide exposure of agricultural surface waters is characterized by infrequent and short-term insecticide concentration peaks of high ecotoxicological relevance with implications for both monitoring and risk assessment. Here, we apply several fixed-interval strategies and an event-based sampling strategy to two generalized and two realistic insecticide exposure patterns for typical agricultural streams derived from FOCUS exposure modeling using Monte Carlo simulations. Sampling based on regular intervals was found to be inadequate for the detection of transient insecticide concentrations, whereas event-triggered sampling successfully detected all exposure incidences at substantially lower analytical costs. Our study proves that probabilistic risk assessment (PRA) concepts in their present forms are not appropriate for a thorough evaluation of insecticide exposure. Despite claims that the PRA approach uses all available data to assess exposure and enhances risk assessment realism, we demonstrate that this concept is severely biased by the amount of insecticide concentrations below detection limits and therefore by the sampling designs. Moreover, actual insecticide exposure is of almost no relevance for PRA threshold level exceedance frequencies and consequential risk assessment outcomes. Therefore, we propose a concept that features a field-relevant ecological risk analysis of agricultural insecticide surface water exposure. Our study quantifies for the first time the environmental and economic consequences of inappropriate monitoring and risk assessment concepts used for the evaluation of short-term peak surface water pollutants such as insecticides.

  14. Dynamic Mechanical Compression of Chondrocytes for Tissue Engineering: A Critical Review.

    Science.gov (United States)

    Anderson, Devon E; Johnstone, Brian

    2017-01-01

    Articular cartilage functions to transmit and translate loads. In a classical structure-function relationship, the tissue resides in a dynamic mechanical environment that drives the formation of a highly organized tissue architecture suited to its biomechanical role. The dynamic mechanical environment includes multiaxial compressive and shear strains as well as hydrostatic and osmotic pressures. As the mechanical environment is known to modulate cell fate and influence tissue development toward a defined architecture in situ , dynamic mechanical loading has been hypothesized to induce the structure-function relationship during attempts at in vitro regeneration of articular cartilage. Researchers have designed increasingly sophisticated bioreactors with dynamic mechanical regimes, but the response of chondrocytes to dynamic compression and shear loading remains poorly characterized due to wide variation in study design, system variables, and outcome measurements. We assessed the literature pertaining to the use of dynamic compressive bioreactors for in vitro generation of cartilaginous tissue from primary and expanded chondrocytes. We used specific search terms to identify relevant publications from the PubMed database and manually sorted the data. It was very challenging to find consensus between studies because of species, age, cell source, and culture differences, coupled with the many loading regimes and the types of analyses used. Early studies that evaluated the response of primary bovine chondrocytes within hydrogels, and that employed dynamic single-axis compression with physiologic loading parameters, reported consistently favorable responses at the tissue level, with upregulation of biochemical synthesis and biomechanical properties. However, they rarely assessed the cellular response with gene expression or mechanotransduction pathway analyses. Later studies that employed increasingly sophisticated biomaterial-based systems, cells derived from different

  15. Dynamic Mechanical Compression of Chondrocytes for Tissue Engineering: A Critical Review

    Directory of Open Access Journals (Sweden)

    Devon E. Anderson

    2017-12-01

    Full Text Available Articular cartilage functions to transmit and translate loads. In a classical structure–function relationship, the tissue resides in a dynamic mechanical environment that drives the formation of a highly organized tissue architecture suited to its biomechanical role. The dynamic mechanical environment includes multiaxial compressive and shear strains as well as hydrostatic and osmotic pressures. As the mechanical environment is known to modulate cell fate and influence tissue development toward a defined architecture in situ, dynamic mechanical loading has been hypothesized to induce the structure–function relationship during attempts at in vitro regeneration of articular cartilage. Researchers have designed increasingly sophisticated bioreactors with dynamic mechanical regimes, but the response of chondrocytes to dynamic compression and shear loading remains poorly characterized due to wide variation in study design, system variables, and outcome measurements. We assessed the literature pertaining to the use of dynamic compressive bioreactors for in vitro generation of cartilaginous tissue from primary and expanded chondrocytes. We used specific search terms to identify relevant publications from the PubMed database and manually sorted the data. It was very challenging to find consensus between studies because of species, age, cell source, and culture differences, coupled with the many loading regimes and the types of analyses used. Early studies that evaluated the response of primary bovine chondrocytes within hydrogels, and that employed dynamic single-axis compression with physiologic loading parameters, reported consistently favorable responses at the tissue level, with upregulation of biochemical synthesis and biomechanical properties. However, they rarely assessed the cellular response with gene expression or mechanotransduction pathway analyses. Later studies that employed increasingly sophisticated biomaterial-based systems, cells

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. The Mock Trial: A Dynamic Exercise for Thinking Critically about Management Theories, Topics, and Practices

    Science.gov (United States)

    Farmer, Kevin; Meisel, Steven I.; Seltzer, Joe; Kane, Kathleen

    2013-01-01

    The Mock Trial is an experiential exercise adapted from a law school process that encourages students to think critically about theories, topics, and the practice of management in an innovative classroom experience. Playing the role of attorneys and witnesses, learners ask questions and challenge assumptions by playing roles in a trial with…

  1. 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

  2. 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.

  3. Critical assessment of suitable methods used for determination of antibacterial properties at photocatalytic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Krysa, Josef, E-mail: Josef.Krysa@vscht.cz [Institute of Chemical Technology Prague, Department of Water Technology and Environmental Engineering, Technicka 5, CZ-166 28 Prague (Czech Republic); Musilova, Eva [Institute of Chemical Technology Prague, Department of Water Technology and Environmental Engineering, Technicka 5, CZ-166 28 Prague (Czech Republic); Zita, Jiri [Institute of Chemical Technology Prague, Department of Inorganic Technology, Technicka 5, CZ-166 28 Prague (Czech Republic)

    2011-11-15

    Highlights: {yields} Methods for antibacterial activity of irradiated TiO{sub 2} films were critically assessed. {yields} As test bacteria gram negative E. coli and gram positive E. faecalis were employed. {yields} The ISO glass adhesion method is more appropriate than method with bacteria suspension. {yields} Some improvements of the ISO method were suggested. - Abstract: This work describes the development of methods necessary for antibacterial effect evaluation on irradiated TiO{sub 2} layers. Two methods using bacteria suspensions and the glass adhesion method (based on ISO 27447:2009(E)) were critically assessed and compared. As test bacteria gram negative Escherichia coli and gram positive Enterococcus faecalis were employed. The method using 50 cm{sup 3} of bacteria suspension is convenient for testing layers with strong antibacterial effect (prepared from powder photocatalysts). For the evaluation of the antibacterial effect of sol gel layers, the glass adhesion method based on the ISO is more appropriate than the method with 3 cm{sup 3} of bacteria suspension. The reason is that the later does not allow a distinction between the inhibition effect of TiO{sub 2} and UV light itself. Some improvements of the ISO method were suggested, namely the use of gelatinous pills (CCM) of bacteria, using saline solution instead of nutrient broth for bacteria suspension preparation and the application of selective media for bacteria cultivation. Decreasing the light intensity from 0.6 mW cm{sup -2} to 0.2 mW cm{sup -2} (fulfilling the requirements of the ISO) results in almost negligible effect of UV light itself, thus enabling proper testing of the antibacterial properties of TiO{sub 2} thin films.

  4. Critical assessment of suitable methods used for determination of antibacterial properties at photocatalytic surfaces

    International Nuclear Information System (INIS)

    Krysa, Josef; Musilova, Eva; Zita, Jiri

    2011-01-01

    Highlights: → Methods for antibacterial activity of irradiated TiO 2 films were critically assessed. → As test bacteria gram negative E. coli and gram positive E. faecalis were employed. → The ISO glass adhesion method is more appropriate than method with bacteria suspension. → Some improvements of the ISO method were suggested. - Abstract: This work describes the development of methods necessary for antibacterial effect evaluation on irradiated TiO 2 layers. Two methods using bacteria suspensions and the glass adhesion method (based on ISO 27447:2009(E)) were critically assessed and compared. As test bacteria gram negative Escherichia coli and gram positive Enterococcus faecalis were employed. The method using 50 cm 3 of bacteria suspension is convenient for testing layers with strong antibacterial effect (prepared from powder photocatalysts). For the evaluation of the antibacterial effect of sol gel layers, the glass adhesion method based on the ISO is more appropriate than the method with 3 cm 3 of bacteria suspension. The reason is that the later does not allow a distinction between the inhibition effect of TiO 2 and UV light itself. Some improvements of the ISO method were suggested, namely the use of gelatinous pills (CCM) of bacteria, using saline solution instead of nutrient broth for bacteria suspension preparation and the application of selective media for bacteria cultivation. Decreasing the light intensity from 0.6 mW cm -2 to 0.2 mW cm -2 (fulfilling the requirements of the ISO) results in almost negligible effect of UV light itself, thus enabling proper testing of the antibacterial properties of TiO 2 thin films.

  5. Validation of programmable industrial automation systems for safety critical applications in NPP's dynamic testing

    International Nuclear Information System (INIS)

    Haapanen, P.; Korhonen, J.

    1995-01-01

    The safety assessment of programmable automation systems can not totally be based on conventional probabilistic methods because of the difficulties in quantification of the reliability of the software as well as the hardware. Additional means shall therefore be used to gain more confidence on the system dependability. One central confidence building measure is the independent dynamic testing of the completed system. An automated test harness is needed to run the required large amount of test cases in a restricted time span. The prototype dynamic testing harness for programmable digital systems developed at the Technical Research Centre of Finland (VTT) is described in the presentation. (12 refs., 2 figs., 2 tabs.)

  6. Validation of programmable industrial automation systems for safety critical applications in NPP's; dynamic testing

    International Nuclear Information System (INIS)

    Haapanen, P.; Korhonen, J.

    1995-01-01

    The safety assessment of programmable automation systems cannot be totally be based on conventional probabilistic methods because of the difficulties in quantification of the reliability of the software as well as the hardware. Additional means shall therefore be used to gain more confidence on the system dependability. One central confidence building measure is the independent dynamic testing of the completed system. An automated test harness is needed to run the required large amount of test cases in a restricted time span. This paper describes a prototype dynamic testing harness for programmable digital systems developed at VTT. (author). 12 refs, 2 figs, 2 tabs

  7. 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...

  8. Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches.

    Science.gov (United States)

    Bal, Kristof M; Neyts, Erik C

    2018-03-28

    A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.

  9. Critical current density of BiSrCaCuO superconductors: effect of surface barriers

    International Nuclear Information System (INIS)

    Konczykowski, M.; Chikumoto, N.

    1992-01-01

    Effects of surface barriers on vortex motion in BiSrCaCuO-2212 high-temperature superconducting crystals is summarized. Characteristic features of this phenomenon appear in the hysteresis loop (shape of its ascending and descending branches), in the effect of 2.5 MeV electron irradiation, and in flux creep measurements (magnetization dependence to the crystal lateral dimension, size of the flux-creep barrier and the crossover as a function of temperature and time persistent current density). (A.B.). 25 refs., 3 figs

  10. Molecular dynamics study of room temperature ionic liquids with water at mica surface

    Directory of Open Access Journals (Sweden)

    Huanhuan Zhang

    2018-04-01

    Full Text Available Water in room temperature ionic liquids (RTILs could impose significant effects on their interfacial properties at a charged surface. Although the interfaces between RTILs and mica surfaces exhibit rich microstructure, the influence of water content on such interfaces is little understood, in particular, considering the fact that RTILs are always associated with water due to their hygroscopicity. In this work, we studied how different types of RTILs and different amounts of water molecules affect the RTIL-mica interfaces, especially the water distribution at mica surfaces, using molecular dynamics (MD simulation. MD results showed that (1 there is more water and a thicker water layer adsorbed on the mica surface as the water content increases, and correspondingly the average location of K+ ions is farther from mica surface; (2 more water accumulated at the interface with the hydrophobic [Emim][TFSI] than in case of the hydrophilic [Emim][BF4] due to the respective RTIL hydrophobicity and ion size. A similar trend was also observed in the hydrogen bonds formed between water molecules. Moreover, the 2D number density map of adsorbed water revealed that the high-density areas of water seem to be related to K+ ions and silicon/aluminum atoms on mica surface. These results are of great importance to understand the effects of hydrophobicity/hydrophicility of RTIL and water on the interfacial microstructure at electrified surfaces. Keywords: Room temperature ionic liquids, Hydrophobicity/hydrophicility, Water content, Electrical double layer, Mica surface

  11. Falsification of matching theory and confirmation of an evolutionary theory of behavior dynamics in a critical experiment.

    Science.gov (United States)

    McDowell, J J; Calvin, Olivia L; Hackett, Ryan; Klapes, Bryan

    2017-07-01

    Two competing predictions of matching theory and an evolutionary theory of behavior dynamics, and one additional prediction of the evolutionary theory, were tested in a critical experiment in which human participants worked on concurrent schedules for money (Dallery et al., 2005). The three predictions concerned the descriptive adequacy of matching theory equations, and of equations describing emergent equilibria of the evolutionary theory. Tests of the predictions falsified matching theory and supported the evolutionary theory. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Identification of an evolutionarily conserved extracellular threonine residue critical for surface expression and its potential coupling of adjacent voltage-sensing and gating domains in voltage-gated potassium channels.

    Science.gov (United States)

    Mckeown, Lynn; Burnham, Matthew P; Hodson, Charlotte; Jones, Owen T

    2008-10-31

    The dynamic expression of voltage-gated potassium channels (Kvs) at the cell surface is a fundamental factor controlling membrane excitability. In exploring possible mechanisms controlling Kv surface expression, we identified a region in the extracellular linker between the first and second of the six (S1-S6) transmembrane-spanning domains of the Kv1.4 channel, which we hypothesized to be critical for its biogenesis. Using immunofluorescence microscopy, flow cytometry, patch clamp electrophysiology, and mutagenesis, we identified a single threonine residue at position 330 within the Kv1.4 S1-S2 linker that is absolutely required for cell surface expression. Mutation of Thr-330 to an alanine, aspartate, or lysine prevented surface expression. However, surface expression occurred upon co-expression of mutant and wild type Kv1.4 subunits or mutation of Thr-330 to a serine. Mutation of the corresponding residue (Thr-211) in Kv3.1 to alanine also caused intracellular retention, suggesting that the conserved threonine plays a generalized role in surface expression. In support of this idea, sequence comparisons showed conservation of the critical threonine in all Kv families and in organisms across the evolutionary spectrum. Based upon the Kv1.2 crystal structure, further mutagenesis, and the partial restoration of surface expression in an electrostatic T330K bridging mutant, we suggest that Thr-330 hydrogen bonds to equally conserved outer pore residues, which may include a glutamate at position 502 that is also critical for surface expression. We propose that Thr-330 serves to interlock the voltage-sensing and gating domains of adjacent monomers, thereby yielding a structure competent for the surface expression of functional tetramers.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. Critical Analysis of Underground Coal Gasification Models. Part II: Kinetic and Computational Fluid Dynamics Models

    Directory of Open Access Journals (Sweden)

    Alina Żogała

    2014-01-01

    Originality/value: This paper presents state of art in the field of coal gasification modeling using kinetic and computational fluid dynamics approach. The paper also presents own comparative analysis (concerned with mathematical formulation, input data and parameters, basic assumptions, obtained results etc. of the most important models of underground coal gasification.

  18. Dynamic behavior of HTSC opening switch models controlled by short over-critical current pulses

    International Nuclear Information System (INIS)

    Agafonov, A.V.; Krastelev, E.G.; Voronin, V.S.

    1999-01-01

    We present results of experimental research of dynamical properties of thin films of YBa 2 Cu 3 O 7 HTSC-switch models under action of short overcritical current pulses to test this method of control of fast high-power opening switches for accelerator applications

  19. A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes

    International Nuclear Information System (INIS)

    Klimes, JirI; Michaelides, Angelos; Bowler, David R

    2010-01-01

    The performance of a variety of techniques for locating transition states on potential energy surfaces is evaluated within the density functional theory framework. Diffusion of a water molecule across NaCl(001) and HCl bond breaking on the same surface are treated as general test cases; the former is an example of a low barrier diffusion process and the latter an example of a relatively high barrier covalent bond rupture event. The methods considered include the nudged elastic band (NEB), Dewar, Healy and Stewart (DHS), dimer, constrained optimization (CO), activation-relaxation technique (ART) and one-side growing string (OGS) as well as novel combinations of the DHS with growing string (DHS + GS) and DHS plus climbing image (CI-DHS). A key conclusion to come from this study is that the NEB method is relatively fast, especially when just a single (climbing) image is used. Indeed, using more images represents an unnecessary computational burden for our set of processes. The dimer method exhibits variable performance; being poor for the water diffusion processes, which have small activation energies, but much more efficient for the HCl bond breaking process which has a higher barrier. When only a poor initial guess of the transition state geometry is available, the CI-DHS scheme is one of the most efficient techniques considered. And as a means to quickly establish an approximate minimum energy pathway the DHS + GS scheme offers some potential.

  20. Critical review of gamma spectrometry detection approaches for in-plant surface deposition monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Gregorich, Carola [Nuclear Fuels and Chemistry at the Electric Power Research Institute, Palo Alto, CA 94304, (United States)

    2015-07-01

    Surface deposition of activated corrosion product on oxide layers of light-water reactor primary system components is the primary source for ex-core radiation fields and personnel radiation exposure. Understanding the deposition mechanism and what factors influence the deposition and release behaviors are crucial for developing effective radiation field reduction measures. One of the available tools to assess the surface deposition is in-plant gamma spectrometry, which has been performed for several decades using either sodium iodide (NaI) or high-purity germanium (HPGe) detectors. Lately, the much more mobile cadmium-zinc-telluride (CZT) detectors are increasingly employed by stations because of their ease in use and handling. However, all of these gamma detectors face the same challenges; namely large-geometry samples of inconsistent sample compositions and sometimes gaps in the information necessary to establish proper efficiency calibrations. This paper reviews current measurements and efficiency calibration approaches taken in the industry. The validity of the measurement results and the feasibility of the data's use in understanding source term behavior is examined. Suggestions are made for the development of a more robust deposit characterization and radiation field monitoring program. (authors)

  1. Hybrid of Natural Element Method (NEM with Genetic Algorithm (GA to find critical slip surface

    Directory of Open Access Journals (Sweden)

    Shahriar Shahrokhabadi

    2014-06-01

    Full Text Available One of the most important issues in geotechnical engineering is the slope stability analysis for determination of the factor of safety and the probable slip surface. Finite Element Method (FEM is well suited for numerical study of advanced geotechnical problems. However, mesh requirements of FEM creates some difficulties for solution processing in certain problems. Recently, motivated by these limitations, several new Meshfree methods such as Natural Element Method (NEM have been used to analyze engineering problems. This paper presents advantages of using NEM in 2D slope stability analysis and Genetic Algorithm (GA optimization to determine the probable slip surface and the related factor of safety. The stress field is produced under plane strain condition using natural element formulation to simulate material behavior analysis utilized in conjunction with a conventional limit equilibrium method. In order to justify the preciseness and convergence of the proposed method, two kinds of examples, homogenous and non-homogenous, are conducted and results are compared with FEM and conventional limit equilibrium methods. The results show the robustness of the NEM in slope stability analysis.

  2. Feigenbaum scenario in the dynamics of a metal-oxide semiconductor heterostructure under harmonic perturbation. Golden mean criticality

    International Nuclear Information System (INIS)

    Cristescu, C.P.; Mereu, B.; Stan, Cristina; Agop, M.

    2009-01-01

    Experimental investigations and theoretical analysis on the dynamics of a metal-oxide semiconductor heterostructure used as nonlinear capacity in a series RLC electric circuit are presented. A harmonic voltage perturbation can induce various nonlinear behaviours, particularly evolution to chaos by period doubling and torus destabilization. In this work we focus on the change in dynamics induced by a sinusoidal driving with constant frequency and variable amplitude. Theoretical treatment based on the microscopic mechanisms involved led us to a dynamic system with a piecewise behaviour. Consequently, a model consisting of a nonlinear oscillator described by a piecewise second order ordinary differential equation is proposed. This kind of treatment is required by the asymmetry in the behaviour of the metal-oxide semiconductor with respect to the polarization of the perturbing voltage. The dynamics of the theoretical model is in good agreement with the experimental results. A connection with El Naschie's E-infinity space-time is established based on the interpretation of our experimental results as evidence of the importance of the golden mean criticality in the microscopic world.

  3. Mapping porosity of the deep critical zone in 3D using near-surface geophysics, rock physics modeling, and drilling

    Science.gov (United States)

    Flinchum, B. A.; Holbrook, W. S.; Grana, D.; Parsekian, A.; Carr, B.; Jiao, J.

    2017-12-01

    Porosity is generated by chemical, physical and biological processes that work to transform bedrock into soil. The resulting porosity structure can provide specifics about these processes and can improve understanding groundwater storage in the deep critical zone. Near-surface geophysical methods, when combined with rock physics and drilling, can be a tool used to map porosity over large spatial scales. In this study, we estimate porosity in three-dimensions (3D) across a 58 Ha granite catchment. Observations focus on seismic refraction, downhole nuclear magnetic resonance logs, downhole sonic logs, and samples of core acquired by push coring. We use a novel petrophysical approach integrating two rock physics models, a porous medium for the saprolite and a differential effective medium for the fractured rock, that drive a Bayesian inversion to calculate porosity from seismic velocities. The inverted geophysical porosities are within about 0.05 m3/m3 of lab measured values. We extrapolate the porosity estimates below seismic refraction lines to a 3D volume using ordinary kriging to map the distribution of porosity in 3D up to depths of 80 m. This study provides a unique map of porosity on scale never-before-seen in critical zone science. Estimating porosity on these large spatial scales opens the door for improving and understanding the processes that shape the deep critical zone.

  4. Nonlinear absorption dynamics using field-induced surface hopping: zinc porphyrin in water.

    Science.gov (United States)

    Röhr, Merle I S; Petersen, Jens; Wohlgemuth, Matthias; Bonačić-Koutecký, Vlasta; Mitrić, Roland

    2013-05-10

    We wish to present the application of our field-induced surface-hopping (FISH) method to simulate nonlinear absorption dynamics induced by strong nonresonant laser fields. We provide a systematic comparison of the FISH approach with exact quantum dynamics simulations on a multistate model system and demonstrate that FISH allows for accurate simulations of nonlinear excitation processes including multiphoton electronic transitions. In particular, two different approaches for simulating two-photon transitions are compared. The first approach is essentially exact and involves the solution of the time-dependent Schrödinger equation in an extended manifold of excited states, while in the second one only transiently populated nonessential states are replaced by an effective quadratic coupling term, and dynamics is performed in a considerably smaller manifold of states. We illustrate the applicability of our method to complex molecular systems by simulating the linear and nonlinear laser-driven dynamics in zinc (Zn) porphyrin in the gas phase and in water. For this purpose, the FISH approach is connected with the quantum mechanical-molecular mechanical approach (QM/MM) which is generally applicable to large classes of complex systems. Our findings that multiphoton absorption and dynamics increase the population of higher excited states of Zn porphyrin in the nonlinear regime, in particular in solution, provides a means for manipulating excited-state properties, such as transient absorption dynamics and electronic relaxation. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Urban Land: Study of Surface Run-off Composition and Its Dynamics

    Science.gov (United States)

    Palagin, E. D.; Gridneva, M. A.; Bykova, P. G.

    2017-11-01

    The qualitative composition of urban land surface run-off is liable to significant variations. To study surface run-off dynamics, to examine its behaviour and to discover reasons of these variations, it is relevant to use the mathematical apparatus technique of time series analysis. A seasonal decomposition procedure was applied to a temporary series of monthly dynamics with the annual frequency of seasonal variations in connection with a multiplicative model. The results of the quantitative chemical analysis of surface wastewater of the 22nd Partsjezd outlet in Samara for the period of 2004-2016 were used as basic data. As a result of the analysis, a seasonal pattern of variations in the composition of surface run-off in Samara was identified. Seasonal indices upon 15 waste-water quality indicators were defined. BOD (full), suspended materials, mineralization, chlorides, sulphates, ammonium-ion, nitrite-anion, nitrate-anion, phosphates (phosphorus), iron general, copper, zinc, aluminium, petroleum products, synthetic surfactants (anion-active). Based on the seasonal decomposition of the time series data, the contribution of trends, seasonal and accidental components of the variability of the surface run-off indicators was estimated.

  6. 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

  7. 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.

  8. Renormalization and Central limit theorem for critical dynamical systems with weak external noise

    CERN Document Server

    Diaz-Espinosa, O

    2006-01-01

    We study of the effect of weak noise on critical one dimensional maps; that is, maps with a renormalization theory. We establish a one dimensional central limit theorem for weak noises and obtain Berry--Esseen estimates for the rate of this convergence. We analyze in detail maps at the accumulation of period doubling and critical circle maps with golden mean rotation number. Using renormalization group methods, we derive scaling relations for several features of the effective noise after long times. We use these scaling relations to show that the central limit theorem for weak noise holds in both examples. We note that, for the results presented here, it is essential that the maps have parabolic behavior. They are false for hyperbolic orbits.

  9. Intermittency at critical transitions and aging dynamics at the onset of ...

    Indian Academy of Sciences (India)

    cO Indian Academy of Sciences. Vol. ... Pf. 1. Introduction. Ever since the proposition, in 1988, by Tsallis [1,2] of a ... namics associated with critical attractors in prototypical nonlinear one-dimensional maps ... Here we review briefly the specific .... power-law decay of the form τ−1/1−q with q = 1−ln 2/(ζ −1) ln α(ζ), where α(ζ) is.

  10. Critical Surface Parameters for the Oxidative Coupling of Methane over the Mn-Na-W/SiO2 Catalyst.

    Science.gov (United States)

    Hayek, Naseem S; Lucas, Nishita S; Warwar Damouny, Christine; Gazit, Oz M

    2017-11-22

    The work here presents a thorough evaluation of the effect of Mn-Na-W/SiO 2 catalyst surface parameters on its performance in the oxidative coupling of methane (OCM). To do so, we used microporous dealuminated β-zeolite (Zeo), or mesoporous SBA-15 (SBA), or macroporous fumed silica (Fum) as precursors for catalyst preparation, together with Mn nitrate, Mn acetate and Na 2 WO 4 . Characterizing the catalysts by inductively coupled plasma-optical emission spectroscopy, N 2 physisorption, X-ray diffraction, high-resolution scanning electron microscopy-energy-dispersive spectroscopy, X-ray photoelectron spectroscopy, and catalytic testing enabled us to identify critical surface parameters that govern the activity and C 2 selectivity of the Mn-Na-W/SiO 2 catalyst. Although the current paradigm views the phase transition of silica to α-cristobalite as the critical step in obtaining dispersed and stable metal sites, we show that the choice of precursors is equally or even more important with respect to tailoring the right surface properties. Specifically, the SBA-based catalyst, characterized by relatively closed surface porosity, demonstrated low activity and low C 2 selectivity. By contrast, for the same composition, the Zeo-based catalyst showed an open surface pore structure, which translated up to fourfold higher activity and enhanced selectivity. By varying the overall composition of the Zeo catalysts, we show that reducing the overall W concentration reduces the size of the Na 2 WO 4 species and increases the catalytic activity linearly as much as fivefold higher than the SBA catalyst. This linear dependence correlates well to the number of interfaces between the Na 2 WO 4 and Mn 2 O 3 species. Our results combined with prior studies lead us to single out the interface between Na 2 WO 4 and Mn 2 O 3 as the most probable active site for OCM using this catalyst. Synergistic interactions between the various precursors used and the phase transition are discussed in

  11. 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.

  12. Cu Isotopic Composition in Surface Environments and in Biological Systems: A Critical Review.

    Science.gov (United States)

    Wang, Zhuhong; Chen, Jiubin; Zhang, Ting

    2017-05-18

    Copper (Cu) is a transition metal and an essential micronutrient for organisms, but also one of the most widespread toxic inorganic contaminants at very high content. The research on Cu isotopes has grown rapidly in the last decade. Hitherto, a large number of studies have been published on the theoretical fractionation mechanisms, experimental data and natural variations of Cu isotopes in variable environments and ecosystems. These studies reported a large variation of δ 65 Cu (-16.49 to +20.04‰) in terrestrial samples and showed that Cu isotopes could be fractionated by various biogeochemical processes to different extent. Several papers have previously reviewed the coupling of Cu and Zn isotope systematics, and we give here a tentative review of the recent publications only on Cu isotopesin variable surface repositories, animals and human beings, with a goal to attract much attention to research on Cu (and other metals) behaviors in the environment and biological systems.

  13. Cu Isotopic Composition in Surface Environments and in Biological Systems: A Critical Review

    Directory of Open Access Journals (Sweden)

    Zhuhong Wang

    2017-05-01

    Full Text Available Copper (Cu is a transition metal and an essential micronutrient for organisms, but also one of the most widespread toxic inorganic contaminants at very high content. The research on Cu isotopes has grown rapidly in the last decade. Hitherto, a large number of studies have been published on the theoretical fractionation mechanisms, experimental data and natural variations of Cu isotopes in variable environments and ecosystems. These studies reported a large variation of δ65Cu (−16.49 to +20.04‰ in terrestrial samples and showed that Cu isotopes could be fractionated by various biogeochemical processes to different extent. Several papers have previously reviewed the coupling of Cu and Zn isotope systematics, and we give here a tentative review of the recent publications only on Cu isotopesin variable surface repositories, animals and human beings, with a goal to attract much attention to research on Cu (and other metals behaviors in the environment and biological systems.

  14. Critical current and flux dynamics in Ag-doped FeSe superconductor

    Science.gov (United States)

    Galluzzi, A.; Polichetti, M.; Buchkov, K.; Nazarova, E.; Mancusi, D.; Pace, S.

    2017-02-01

    The measurements of DC magnetization as a function of the temperature M(T), magnetic field M(H), and time M(t) have been performed in order to compare the superconducting and pinning properties of an undoped FeSe0.94 sample and a silver doped FeSe0.94 + 6 wt% Ag sample. The M(T) curves indicate an improvement of the superconducting critical temperature and a reduction of the non-superconducting phase Fe7Se8 due to the silver doping. This is confirmed by the field and temperature dependent critical current density Jc(H,T) extracted from the superconducting hysteresis loops at different temperatures within the Bean critical state model. Moreover, the combined analysis of the Jc(T) and of the pinning force Fp(H/Hirr) indicate that the pinning mechanisms in both samples can be described in the framework of the collective pinning theory. The U*(T, J) curves show a pinning crossover from an elastic creep regime of intermediate size flux bundles, for low temperatures, to a plastic creep regime at higher temperatures for both the samples. Finally, the vortex hopping attempt time has been evaluated for both samples and the results are comparable with the values reported in the literature for high Tc materials.

  15. Surface-water interface induces conformational changes critical for protein adsorption: Implications for monolayer formation of EAS hydrophobin

    Directory of Open Access Journals (Sweden)

    Kamron eLey

    2015-11-01

    Full Text Available The class I hydrophobin EAS is part of a family of small, amphiphilic fungal proteins best known for their ability to self-assemble into stable monolayers that modify the hydrophobicity of a surface to facilitate further microbial growth. These proteins have attracted increasing attention for industrial and biomedical applications, with the aim of designing surfaces that have the potential to maintain their clean state by resisting non-specific protein binding. To gain a better understanding of this process, we have employed all-atom molecular dynamics to study initial stages of the spontaneous adsorption of monomeric EAS hydrophobin on fully hydroxylated silica, a commonly used industrial and biomedical substrate. Particular interest has been paid to the Cys3-Cys4 loop, which has been shown to exhibit disruptive behavior in solution, and the Cys7-Cys8 loop, which is believed to be involved in the aggregation of EAS hydrophobin at interfaces. Specific and water mediated interactions with the surface were also analyzed. We have identified two possible binding motifs, one which allows unfolding of the Cys7-Cys8 loop due to the surfactant-like behavior of the Cys3-Cys4 loop, and another which has limited unfolding due to the Cys3-Cys4 loop remaining disordered in solution. We have also identified intermittent interactions with water which mediate the protein adsorption to the surface, as well as longer lasting interactions which control the diffusion of water around the adsorption site. These results have shown that EAS behaves in a similar way at the air-water and surface-water interfaces, and have also highlighted the need for hydrophilic ligand functionalization of the silica surface in order to prevent the adsorption of EAS hydrophobin.

  16. Spatiotemporal Dynamics of Surface Water Extent from Three Decades of Seasonally Continuous Landsat Time Series at Subcontinental Scale

    Science.gov (United States)

    Tulbure, M. G.; Broich, M.; Stehman, Stephen V.

    2016-06-01

    Surface water is a critical resource in semi-arid areas. The Murray-Darling Basin (MDB) of Australia, one of the largest semi-arid basins in the world is aiming to set a worldwide example of how to balance multiple interests (i.e. environment, agriculture and urban use), but has suffered significant water shrinkages during the Millennium Drought (1999-2009), followed by extensive flooding. Baseline information and systematic quantification of surface water (SW) extent and flooding dynamics in space and time are needed for managing SW resources across the basin but are currently lacking. To synoptically quantify changes in SW extent and flooding dynamics over MDB, we used seasonally continuous Landsat TM and ETM+ data (1986 - 2011) and generic machine learning algorithms. We further mapped flooded forest at a riparian forest site that experienced severe tree dieback due to changes in flooding regime. We used a stratified sampling design to assess the accuracy of the SW product across time. Accuracy assessment yielded an overall classification accuracy of 99.94%, with producer's and user's accuracy of SW of 85.4% and 97.3%, respectively. Overall accuracy was the same for Landsat 5 and 7 data but user's and producer's accuracy of water were higher for Landsat 7 than 5 data and stable over time. Our validated results document a rapid loss in SW bodies. The number, size, and total area of SW showed high seasonal variability with highest numbers in winter and lowest numbers in summer. SW extent per season per year showed high interannual and seasonal variability, with low seasonal variability during the Millennium Drought. Examples of current uses of the new dataset will be presented and include (1) assessing ecosystem response to flooding with implications for environmental water releases, one of the largest investment in environment in Australia; (2) quantifying drivers of SW dynamics (e.g. climate, human activity); (3) quantifying changes in SW dynamics and

  17. Structure and Dynamics of Water on Aqueous Barium Ion and the {001} Barite Surface

    International Nuclear Information System (INIS)

    Stack, Andrew G.; Rustad, James R.

    2007-01-01

    The structure of water and its dynamics affect a number of fundamental properties of an interface. Yet, these properties are often inaccessible experimentally and computational studies including solvent are comparatively few. Here, we estimate the structure and kinetics of water exchange of aqueous barium ions and barium ions within the {001} barite surface using molecular dynamics and the reactive flux method. For the aqueous ion, the Ba-O distance to water in the first hydration shell was found to be 280 pm with a coordination number of 8.3, and the best estimate of the exchange rate constant is 4.8 x 10 9 s -1 , closely matching experimental estimates. For the barite surface, the first shell water distance was 282 pm, with a coordination number of 0.9 and the best estimate of the rate constant for exchange is 1.7 x 10 10 s -1 , 3.5 times faster than that of the aqueous ion.

  18. Dynamical analysis of surface-insulated planar wire array Z-pinches

    Science.gov (United States)

    Li, Yang; Sheng, Liang; Hei, Dongwei; Li, Xingwen; Zhang, Jinhai; Li, Mo; Qiu, Aici

    2018-05-01

    The ablation and implosion dynamics of planar wire array Z-pinches with and without surface insulation are compared and discussed in this paper. This paper first presents a phenomenological model named the ablation and cascade snowplow implosion (ACSI) model, which accounts for the ablation and implosion phases of a planar wire array Z-pinch in a single simulation. The comparison between experimental data and simulation results shows that the ACSI model could give a fairly good description about the dynamical characteristics of planar wire array Z-pinches. Surface insulation introduces notable differences in the ablation phase of planar wire array Z-pinches. The ablation phase is divided into two stages: insulation layer ablation and tungsten wire ablation. The two-stage ablation process of insulated wires is simulated in the ACSI model by updating the formulas describing the ablation process.

  19. Critical analysis of partial discharge dynamics in air filled spherical voids

    Science.gov (United States)

    Callender, G.; Golosnoy, I. O.; Rapisarda, P.; Lewin, P. L.

    2018-03-01

    In this paper partial discharge (PD) is investigated inside a spherical air filled void at atmospheric pressure using a drift diffusion model. Discharge dynamics consisted of an electron avalanche transitioning into positive streamer, in agreement with earlier work on dielectric barrier discharges. Different model configurations were utilised to test many of the concepts employed in semi-analytical PD activity models, which use simplistic descriptions of the discharge dynamics. The results showed that many of these concepts may be erroneous, with significant discrepancies between the canonical reasoning and the simulation results. For example, the residual electric field, the electric field after a discharge, is significantly lower than the estimates used by classical PD activity models in the literature.

  20. Critical dynamics of the Potts model: short-time Monte Carlo simulations

    International Nuclear Information System (INIS)

    Silva, Roberto da; Drugowich de Felicio, J.R.

    2004-01-01

    We calculate the new dynamic exponent θ of the 4-state Potts model, using short-time simulations. Our estimates θ1=-0.0471(33) and θ2=-0.0429(11) obtained by following the behavior of the magnetization or measuring the evolution of the time correlation function of the magnetization corroborate the conjecture by Okano et al. [Nucl. Phys. B 485 (1997) 727]. In addition, these values agree with previous estimate of the same dynamic exponent for the two-dimensional Ising model with three-spin interactions in one direction, that is known to belong to the same universality class as the 4-state Potts model. The anomalous dimension of initial magnetization x0=zθ+β/ν is calculated by an alternative way that mixes two different initial conditions. We have also estimated the values of the static exponents β and ν. They are in complete agreement with the pertinent results of the literature